data_1kup_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1kup _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.61 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.43 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.599 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.74 -73.45 0.65 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.915 -178.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.725 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.17 -26.68 5.04 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.59 -42.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.61 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.71 -44.94 0.21 Allowed Glycine 0 CA--C 1.499 -0.913 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.35 -7.23 9.78 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 115.336 -0.432 . . . . 0.0 110.221 178.235 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.624 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.7 OUTLIER -80.25 -42.08 23.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.871 ' HB3' HG21 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.94 -18.41 4.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.249 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -115.06 -42.29 3.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.909 -178.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.615 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 3.4 t30 -82.33 -78.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.572 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.07 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.588 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.682 0.277 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.489 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -77.27 31.46 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.229 0.537 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -130.67 -31.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.916 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.656 HG22 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -121.7 -58.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.181 179.359 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.658 HG23 ' HB ' ' A' ' 4' ' ' VAL . 1.9 m -40.09 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.859 0.837 . . . . 0.0 112.059 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.585 HG23 ' N ' ' B' ' 18' ' ' HIS . 3.2 tp -93.03 -40.93 12.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.811 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.1 t-80 -60.05 -15.05 19.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.35 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.526 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 15.8 t0 -70.77 -47.17 60.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.34 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.72 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.57 -9.2 17.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 109.276 178.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 31.0 tttt -83.11 -42.77 17.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.041 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -81.77 -110.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -179.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.54 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 30.9 m-85 -120.92 48.26 1.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.921 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.68 -9.79 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.542 0.211 . . . . 0.0 111.3 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.2 -47.07 46.4 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.608 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.516 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.03 5.92 10.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.921 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -74.45 9.77 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 0.0 110.731 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' B' ' 26' ' ' PHE . 1.3 mm-40 -120.63 -8.01 9.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.608 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.43 -62.9 1.37 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.618 ' HG2' ' HE2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -120.36 -48.67 2.3 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -178.526 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.536 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -53.76 -4.39 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.726 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.27 -46.42 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.821 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.55 -11.03 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.618 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 48.3 mmtt -61.84 -41.57 97.97 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.602 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.39 -34.43 54.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.821 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.406 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.605 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.574 0.226 . . . . 0.0 111.433 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.589 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.53 -73.41 0.65 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.671 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.94 -26.85 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.368 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.754 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.2 p -38.55 -42.8 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 O-C-N 123.394 0.434 . . . . 0.0 112.149 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.47 -43.04 0.23 Allowed Glycine 0 CA--C 1.501 -0.818 0 C-N-CA 120.762 -0.733 . . . . 0.0 111.331 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.664 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -120.07 -11.57 9.24 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.357 178.23 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.748 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.3 OUTLIER -75.47 -44.32 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.749 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.3 -25.8 10.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.543 0.687 . . . . 0.0 109.999 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.557 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -108.14 -23.69 11.86 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.839 -178.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.664 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -96.65 -75.14 0.54 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.592 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.678 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.706 0.289 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.67 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.01 31.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.168 0.509 . . . . 0.0 111.116 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -135.52 -33.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.452 179.205 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.651 HD13 ' HB2' ' B' ' 19' ' ' ASP . 0.1 OUTLIER -121.82 -40.97 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.591 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.754 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -57.08 -70.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.786 0.803 . . . . 0.0 111.568 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.543 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.0 tp -95.86 -39.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.301 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.696 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.3 t-80 -62.05 -30.85 71.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.198 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.651 ' HB2' HD13 ' B' ' 15' ' ' ILE . 26.8 t70 -65.56 -57.75 7.44 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.29 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.748 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -63.96 -13.68 47.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.387 0.613 . . . . 0.0 109.592 178.788 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.696 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.1 tttp -71.18 -42.98 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.779 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -89.15 -110.83 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 -179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.596 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 6.7 m-85 -121.37 56.72 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 0.0 111.539 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.947 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.64 -7.49 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.339 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.56 -47.75 49.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.555 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.63 6.75 10.52 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.052 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -72.22 11.54 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.249 0.547 . . . . 0.0 111.128 179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 26' ' ' PHE . 8.6 mm-40 -120.64 -10.89 9.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.04 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.19 -61.48 1.54 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.808 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.561 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -119.99 -45.84 2.45 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.561 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.8 6.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.69 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.51 -45.04 3.76 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.05 0.452 . . . . 0.0 110.024 179.097 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.07 -14.89 2.92 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 9.6 mmmt -58.41 -42.89 88.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.583 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.6 -72.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.128 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.603 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.657 0.265 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.581 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.63 -73.69 0.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.771 -178.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.716 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.06 -27.13 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.536 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.811 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.52 -43.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 123.44 0.462 . . . . 0.0 112.106 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.603 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.46 -43.48 0.24 Allowed Glycine 0 CA--C 1.502 -0.778 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -119.81 -8.34 9.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.373 178.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.522 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -43.29 20.75 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.47 -24.37 4.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.52 0.676 . . . . 0.0 109.651 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -103.76 -57.13 2.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.235 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.9 t-20 -62.73 -85.83 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.449 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.675 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.985 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.554 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.59 32.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.259 0.552 . . . . 0.0 110.874 -179.825 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.86 -28.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.968 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.748 HG22 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.95 -60.96 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.169 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.748 ' H ' HG22 ' B' ' 15' ' ' ILE . 1.8 m -39.83 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.98 0.895 . . . . 0.0 112.054 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.582 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.7 tp -90.9 -42.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 113.959 -1.473 . . . . 0.0 113.041 -177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.646 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.0 t-80 -59.79 -19.48 50.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.444 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 7.6 t0 -64.76 -56.94 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.711 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -66.46 -2.73 4.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.433 0.635 . . . . 0.0 109.52 178.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.646 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 21.4 tttp -91.14 -40.79 11.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.228 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -80.77 -106.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.655 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.551 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 56.7 m-85 -121.34 40.37 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.922 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.98 -8.85 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.304 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.99 -42.96 60.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.013 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.594 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -114.87 6.2 15.36 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 179.577 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.922 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -75.78 10.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.376 0.607 . . . . 0.0 110.18 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.3 mm-40 -121.5 -4.37 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.8 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -120.92 -66.33 1.06 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.54 -43.7 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.172 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.594 ' HB3' ' HD1' ' B' ' 26' ' ' PHE . . . -59.9 8.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.695 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.17 -44.54 3.92 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.859 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -59.28 -9.79 2.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.465 0.65 . . . . 0.0 109.379 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' B' ' 32' ' ' ARG . 7.1 mmmt -63.32 -38.36 90.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.526 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -81.36 -32.22 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.039 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.859 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.306 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.549 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.646 0.26 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.587 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.41 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.595 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.689 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.49 -29.54 4.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.827 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -37.73 -44.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.454 0.471 . . . . 0.0 112.262 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.549 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.04 -43.84 0.2 Allowed Glycine 0 CA--C 1.501 -0.821 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.477 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.716 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.48 -9.23 9.47 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.288 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.562 ' HB2' ' C ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -80.62 -41.41 23.96 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.827 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.51 -27.07 9.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.604 0.716 . . . . 0.0 109.701 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -101.77 -42.53 6.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.798 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.716 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -70.79 -80.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.574 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.296 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.617 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.479 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.99 31.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.524 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -133.56 -34.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.42 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.799 HG22 ' N ' ' B' ' 16' ' ' THR . 0.1 OUTLIER -121.91 -47.16 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.799 ' N ' HG22 ' B' ' 15' ' ' ILE . 1.2 m -49.79 -64.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.698 0.761 . . . . 0.0 112.274 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.568 HG23 ' N ' ' B' ' 18' ' ' HIS . 1.6 tp -106.59 -41.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.584 -176.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.7 t-80 -55.45 -21.52 16.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.7 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -71.45 -35.03 70.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.329 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.616 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -65.92 -10.14 36.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.476 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.7 mtpp -76.03 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -60.62 -116.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.931 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.501 ' HD2' ' HE1' ' B' ' 26' ' ' PHE . 0.8 OUTLIER -120.96 47.81 1.75 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.026 -178.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.932 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -67.71 -5.08 14.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.508 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -54.49 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.501 ' HE1' ' HD2' ' B' ' 23' ' ' PHE . 1.5 p90 -121.32 25.58 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.932 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -88.15 15.34 7.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.823 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.48 -2.53 9.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.385 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -121.11 -63.5 1.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.949 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.532 ' C ' ' H ' ' B' ' 32' ' ' ARG . 1.8 ttm180 -120.5 -47.35 2.34 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.75 ' HB2' ' HA ' ' B' ' 27' ' ' GLU . . . -54.73 0.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.691 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.89 -47.72 4.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 120.89 0.376 . . . . 0.0 110.599 179.323 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.891 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.29 -11.56 1.85 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.267 0.556 . . . . 0.0 109.717 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.476 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 18.2 mmmt -61.21 -38.92 88.32 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.76 -35.92 37.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.898 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.891 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.368 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.575 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.579 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -74.09 0.62 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.718 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.12 -26.79 5.44 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.268 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.915 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.93 -42.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 123.507 0.504 . . . . 0.0 112.15 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.575 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.18 -45.57 0.13 Allowed Glycine 0 CA--C 1.501 -0.801 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.614 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.34 -8.98 9.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.243 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -77.65 -41.7 37.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 111.836 -179.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.915 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.11 -24.33 17.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.407 0.622 . . . . 0.0 110.083 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.547 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -106.65 -65.41 1.09 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.555 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.614 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -61.19 -88.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.79 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.267 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.672 0.272 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.549 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.11 31.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.537 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -130.55 -26.63 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.129 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.531 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -122.06 -62.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.09 179.426 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.548 HG21 ' CA ' ' A' ' 4' ' ' VAL . 2.5 m -39.69 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.969 0.89 . . . . 0.0 111.99 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.619 HD12 ' HD3' ' B' ' 20' ' ' ARG . 2.2 tp -83.42 -42.89 17.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.097 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.6 t-80 -58.18 -18.07 23.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.889 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' B' ' 21' ' ' LYS . 8.7 t70 -72.02 -32.95 67.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.348 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.654 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 13.0 mtp85 -66.28 -3.95 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.473 0.654 . . . . 0.0 109.341 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 22.3 mtpp -88.59 -54.92 3.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.619 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -59.44 -111.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.512 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.43 41.5 3.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.952 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.53 3.22 5.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -47.08 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -120.86 7.96 10.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.615 179.1 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.952 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -71.24 6.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.092 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.2 mm-40 -118.66 -4.18 10.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.087 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.69 -68.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.822 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.616 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.36 -39.76 2.64 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.616 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.51 7.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.712 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.18 -46.64 3.54 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 178.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.845 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.56 -12.92 3.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.522 0.677 . . . . 0.0 109.369 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' B' ' 32' ' ' ARG . 5.1 mmmm -60.15 -38.47 83.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.628 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.2 m95 -80.69 -31.85 36.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.022 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.845 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.323 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.622 ' HE1' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.687 0.279 . . . . 0.0 111.395 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.604 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.49 -72.61 0.68 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.84 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.01 -28.68 4.73 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.876 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.12 -44.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.526 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.84 -45.95 0.19 Allowed Glycine 0 CA--C 1.5 -0.895 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.659 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.4 -6.1 9.82 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.224 -0.488 . . . . 0.0 110.315 178.154 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.619 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 1.2 m-85 -83.39 -38.57 21.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.876 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -57.24 -16.06 7.44 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.314 0.578 . . . . 0.0 109.899 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -117.46 -40.18 3.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.889 -178.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.659 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 11.9 t30 -77.25 -72.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.875 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HE ' ' HB2' ' A' ' 11' ' ' ARG . 2.3 tpp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.386 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.474 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -78.29 32.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.357 0.599 . . . . 0.0 110.434 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.39 -29.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.213 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 16' ' ' THR . 0.6 OUTLIER -121.66 -55.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.417 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 4' ' ' VAL . 2.6 m -43.92 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.926 0.869 . . . . 0.0 112.102 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.591 HG23 ' N ' ' B' ' 18' ' ' HIS . 3.1 tp -94.11 -40.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.799 -1.546 . . . . 0.0 112.591 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.0 t-80 -58.46 -20.29 43.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.853 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.495 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 19.5 t70 -69.82 -48.04 60.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' HE3' ' A' ' 3' ' ' LYS . 18.1 mtm180 -66.21 -12.49 56.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 109.132 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.708 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.4 ttmm -79.8 -44.38 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.705 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -77.94 -111.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.42 ' H ' ' CG ' ' B' ' 22' ' ' GLU . 16.5 m-85 -121.3 47.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.953 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -39.82 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.597 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.35 3.17 10.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.953 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.9 mt-10 -74.03 8.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 110.24 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' B' ' 26' ' ' PHE . 7.2 mm-40 -120.1 -1.35 10.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -120.7 -75.95 0.59 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.7 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 -36.57 3.13 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.251 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.7 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -57.81 -4.16 0.27 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.721 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.2 OUTLIER -96.42 -47.89 5.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.13 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.919 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -51.18 -13.14 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.269 0.557 . . . . 0.0 110.398 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.512 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 3.3 mttt -61.27 -45.53 94.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.557 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -74.06 -30.2 62.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.848 -1.523 . . . . 0.0 109.459 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.919 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.153 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.589 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.625 0.25 . . . . 0.0 111.488 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.86 -74.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.833 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.82 -25.16 5.49 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.839 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -38.98 -42.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.589 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.11 -45.2 0.26 Allowed Glycine 0 CA--C 1.502 -0.765 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.0 -6.0 10.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.195 -0.503 . . . . 0.0 110.248 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -81.5 -42.3 20.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.175 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.839 ' HB3' HG21 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.35 -19.06 4.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.991 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.515 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.52 -59.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -62.57 -79.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.621 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.115 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.602 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.64 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.25 31.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 111.126 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.58 -30.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.117 178.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.52 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -121.25 -58.79 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.93 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.7 HG22 ' HB ' ' A' ' 4' ' ' VAL . 1.8 m -40.71 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.954 0.883 . . . . 0.0 111.851 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.712 HD11 ' HZ2' ' A' ' 3' ' ' LYS . 3.6 tp -89.26 -40.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.053 -1.43 . . . . 0.0 112.954 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.647 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -61.13 -17.82 54.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.203 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 16.3 t0 -72.12 -47.28 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.724 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 6.6 ptm180 -67.28 -1.91 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 17.2 tttm -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.6 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 2.1 pt-20 -78.71 -107.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -120.97 37.63 4.27 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -56.22 -12.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.616 0.246 . . . . 0.0 111.454 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -47.57 -52.37 17.9 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.459 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -113.05 16.26 19.36 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 179.196 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.41 11.38 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.364 0.602 . . . . 0.0 110.192 178.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -120.51 1.78 10.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.675 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -120.46 -71.93 0.71 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.603 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.16 -36.56 3.09 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.103 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.603 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -64.1 9.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.714 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.37 -45.55 3.7 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 120.927 0.394 . . . . 0.0 110.21 179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.31 -12.65 2.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.448 0.642 . . . . 0.0 109.431 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' B' ' 32' ' ' ARG . 6.3 mmmt -59.43 -39.72 84.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.575 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -80.59 -32.76 36.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.288 -1.778 . . . . 0.0 110.214 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.833 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.218 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.6 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.421 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.596 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.23 -73.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.704 -178.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.787 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.35 -26.68 4.98 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.16 -42.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.6 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.64 -44.7 0.2 Allowed Glycine 0 CA--C 1.499 -0.957 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.46 -5.65 9.81 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.232 -0.484 . . . . 0.0 110.383 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -80.53 -45.22 17.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.171 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.86 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.27 -20.98 3.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.625 . . . . 0.0 110.264 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.625 HH11 ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.47 -44.32 3.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.456 -178.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.4 t-20 -80.53 -83.29 0.11 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.203 0.525 . . . . 0.0 111.688 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.356 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.591 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.726 0.298 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.598 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.98 34.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.398 0.618 . . . . 0.0 110.984 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.32 -31.31 1.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.791 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.65 HG22 ' H ' ' B' ' 16' ' ' THR . 0.4 OUTLIER -121.18 -59.47 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.011 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.719 ' HG1' ' HA ' ' A' ' 4' ' ' VAL . 1.9 m -39.72 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.899 0.857 . . . . 0.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.682 HD11 ' HZ1' ' A' ' 3' ' ' LYS . 2.3 tp -88.53 -40.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.897 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.644 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.3 t-80 -63.45 -21.19 66.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.008 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' B' ' 21' ' ' LYS . 30.3 t70 -61.87 -64.15 1.03 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.063 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.727 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.36 -3.82 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.263 0.554 . . . . 0.0 110.08 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.644 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.0 ttmm -82.44 -33.21 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.2 pt-20 -98.26 -106.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.795 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.596 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 17.4 m-85 -120.49 46.62 1.95 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.885 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.23 -10.05 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.322 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.83 -53.55 7.36 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 109.935 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -120.9 23.13 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.396 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.885 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -89.65 23.05 2.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.307 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -122.08 -19.79 6.48 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.338 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -121.97 -40.57 2.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.238 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' B' ' 32' ' ' ARG . 8.4 tpp85 -117.72 -73.05 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.837 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -49.5 -7.52 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.101 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.732 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.55 -46.25 7.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.879 0.371 . . . . 0.0 110.679 179.354 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.856 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.26 -11.35 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.071 0.462 . . . . 0.0 110.502 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 3.4 mmtp -63.28 -40.35 97.13 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' B' ' 34' ' ' LYS . 1.4 m95 -77.81 -34.9 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.725 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.856 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.217 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.625 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.569 0.223 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.585 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.42 -73.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 111.792 -178.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.696 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.87 -27.3 5.04 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -178.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.838 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.37 -44.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.625 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.28 -43.49 0.22 Allowed Glycine 0 CA--C 1.502 -0.726 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -119.69 -8.69 9.88 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.179 178.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.592 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.5 OUTLIER -78.98 -46.22 18.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.819 -179.258 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.838 ' HB3' HG21 ' A' ' 4' ' ' VAL . 2.3 ptmt -47.2 -32.84 4.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.581 0.705 . . . . 0.0 109.804 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -95.84 -60.07 1.72 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.295 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -64.5 -91.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.963 -179.518 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.589 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.409 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.644 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.734 0.302 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.548 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.55 33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.273 0.558 . . . . 0.0 110.943 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.39 -33.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.19 178.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.589 HD11 ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -120.83 -49.97 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.221 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.708 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.7 m -48.11 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.855 0.836 . . . . 0.0 111.375 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.584 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.5 tp -90.28 -42.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.708 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.665 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.4 t-80 -57.24 -22.71 43.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.091 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.46 ' CG ' ' HB1' ' B' ' 24' ' ' ALA . 16.8 t0 -66.03 -59.8 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.324 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.803 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.04 -7.54 12.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.291 0.567 . . . . 0.0 109.664 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.665 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.6 tttm -77.87 -40.53 39.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.19 -108.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.57 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.629 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 27.9 m-85 -120.72 45.69 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 111.365 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.959 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.68 -3.98 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.774 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -46.64 -52.57 13.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.87 0.367 . . . . 0.0 110.417 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.509 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.87 9.75 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.771 179.188 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.959 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -75.34 10.31 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' B' ' 26' ' ' PHE . 16.5 mm-40 -120.1 -3.48 10.09 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -120.6 -69.43 0.84 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.527 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.07 -42.78 2.47 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.173 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' B' ' 27' ' ' GLU . . . -55.29 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.707 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.66 -48.67 3.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.746 0.307 . . . . 0.0 110.487 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.844 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.28 -12.79 1.75 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.224 0.535 . . . . 0.0 109.662 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 5.7 mmmt -58.9 -40.73 85.34 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.617 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -77.75 -35.28 51.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.064 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.844 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.647 ' HE1' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.572 0.225 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.589 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.51 -74.19 0.62 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.848 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.09 -25.86 5.24 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.289 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.73 -42.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.624 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.16 -46.58 0.15 Allowed Glycine 0 CA--C 1.497 -1.071 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.26 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -121.19 -4.4 9.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.151 -0.525 . . . . 0.0 110.162 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.4 m-85 -83.71 -36.48 23.66 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.277 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.843 ' HB3' HG22 ' A' ' 4' ' ' VAL . 1.4 pttt -58.25 -22.09 50.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.576 0.703 . . . . 0.0 109.706 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.521 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -111.44 -60.7 1.81 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.319 -178.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -68.82 -92.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.931 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.507 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.614 ' HB2' ' HG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.571 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -78.07 32.34 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.337 0.589 . . . . 0.0 110.849 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -129.58 -31.14 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.763 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.535 HG21 ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -122.27 -59.4 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.135 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.614 ' HG1' ' HB2' ' B' ' 12' ' ' LYS . 2.0 m -39.2 -65.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.552 0.692 . . . . 0.0 112.619 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.571 HG22 ' HG ' ' B' ' 13' ' ' LEU . 2.7 tp -101.64 -40.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.572 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.8 t-80 -61.57 -14.25 28.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.478 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' B' ' 21' ' ' LYS . 13.2 t0 -67.04 -48.21 69.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.1 -0.375 . . . . 0.0 111.835 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.638 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.22 -4.26 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.442 0.639 . . . . 0.0 109.584 178.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 20.3 ttmt -93.56 -45.06 7.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.217 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -72.0 -109.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.714 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' B' ' 22' ' ' GLU . 14.0 m-85 -120.22 46.58 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.107 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.961 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.92 -0.68 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.509 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.408 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -57.0 -37.07 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 0.0 110.419 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.77 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.52 -3.34 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.961 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.6 mt-10 -74.34 11.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 109.841 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.1 mm-40 -120.47 -7.58 9.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -120.63 -73.43 0.65 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.7 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -39.48 2.75 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.77 ' HB3' ' HB2' ' B' ' 26' ' ' PHE . . . -55.94 -8.1 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.707 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.19 -49.46 5.73 Favored 'General case' 0 CA--C 1.509 -0.605 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.338 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.89 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -49.9 -14.65 0.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.167 0.508 . . . . 0.0 110.509 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.532 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 1.9 mttm -60.61 -46.29 90.8 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.502 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -71.85 -34.54 69.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.349 178.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.89 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.17 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.599 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.571 0.224 . . . . 0.0 111.442 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.671 ' HZ3' HG22 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.43 -74.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.818 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.3 -24.9 5.34 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.893 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.99 -40.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.599 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.34 -48.28 0.21 Allowed Glycine 0 CA--C 1.498 -1.027 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 2.0 m-85 -121.51 -3.58 9.35 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.333 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -83.53 -32.95 25.61 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.811 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.893 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.31 -17.33 58.45 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.431 0.634 . . . . 0.0 109.329 178.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -119.23 -65.81 1.13 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.306 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.552 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 2.0 t-20 -62.76 -84.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.454 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.576 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.624 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.705 0.288 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.577 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.65 31.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.274 0.559 . . . . 0.0 111.152 -179.86 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.54 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.24 -33.12 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.787 178.541 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.596 HG22 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -120.95 -55.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.199 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.702 ' HG1' ' HA ' ' A' ' 4' ' ' VAL . 2.7 m -40.64 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.711 0.767 . . . . 0.0 112.194 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.671 HD11 ' HZ3' ' A' ' 3' ' ' LYS . 2.8 tp -99.13 -39.76 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.309 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 9.5 t-80 -62.53 -16.74 57.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.01 -0.996 . . . . 0.0 112.725 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' B' ' 15' ' ' ILE . 51.0 t0 -69.54 -48.54 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.922 -0.486 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.488 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -72.0 -12.97 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.214 0.53 . . . . 0.0 110.089 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -55.28 -28.74 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.287 179.441 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -120.66 -105.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.665 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 82.9 m-85 -121.12 66.9 0.87 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.647 0.261 . . . . 0.0 111.66 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.922 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -71.39 -11.34 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.281 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.665 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -47.42 -52.85 15.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.607 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.633 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.37 20.81 11.86 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.922 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.3 5.34 10.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.81 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -120.67 3.34 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.43 -70.83 0.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.646 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.7 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.81 -38.78 2.69 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.381 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.7 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.65 8.41 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.702 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -104.75 -45.47 4.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.874 0.368 . . . . 0.0 110.516 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.771 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.28 -11.79 0.85 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 109.797 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.576 ' HE3' ' O ' ' B' ' 30' ' ' ARG . 26.4 mmtp -60.99 -41.48 96.56 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.589 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.8 m95 -78.41 -30.79 47.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.308 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.771 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.566 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.681 0.276 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.583 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.15 -73.58 0.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 111.534 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.734 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.39 -27.36 4.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.706 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.4 p -38.57 -44.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.566 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.87 -42.6 0.25 Allowed Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.05 -7.55 9.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.438 178.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.618 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.3 OUTLIER -77.88 -46.95 19.89 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HB3' HG22 ' A' ' 4' ' ' VAL . 2.4 ptmt -47.65 -33.16 6.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.65 0.738 . . . . 0.0 109.82 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.576 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.03 -57.11 2.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.189 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.0 t-20 -63.66 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.673 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.591 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.568 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.715 0.293 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.568 ' N ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.6 35.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.305 0.574 . . . . 0.0 110.54 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -133.87 -33.56 1.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.813 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.585 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -121.3 -59.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.306 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.706 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.3 m -39.31 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.84 0.829 . . . . 0.0 111.824 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.565 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.3 tp -93.01 -41.42 12.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.136 -1.393 . . . . 0.0 112.749 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.748 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.5 t-80 -63.14 -11.75 22.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.597 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.408 ' CG ' ' HB1' ' B' ' 24' ' ' ALA . 12.7 t0 -70.17 -45.66 66.24 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.813 -0.554 . . . . 0.0 111.275 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.713 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -68.2 -12.08 60.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.234 0.54 . . . . 0.0 110.272 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.748 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 11.3 tttm -61.29 -48.49 81.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -90.4 -109.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.91 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.685 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 75.5 m-85 -120.51 58.6 0.93 Allowed 'General case' 0 C--O 1.231 0.102 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.58 -9.48 19.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.256 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -45.87 -43.19 13.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.1 OUTLIER -120.88 0.03 10.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.925 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.4 mt-10 -75.37 12.78 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.25 0.548 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.2 mt-10 -117.81 -8.22 10.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -120.86 -67.2 0.99 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.418 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.519 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.69 -45.05 2.42 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' B' ' 27' ' ' GLU . . . -53.97 -1.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.709 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.0 -47.24 4.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.281 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.38 -10.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.224 0.535 . . . . 0.0 109.694 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' B' ' 32' ' ' ARG . 16.3 mmmt -61.36 -39.13 89.48 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.521 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.26 -34.75 42.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.827 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.893 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.609 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.584 0.231 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.618 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -73.61 0.64 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.78 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.85 -25.87 5.33 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.671 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.82 -42.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.609 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.98 -44.97 0.39 Allowed Glycine 0 CA--C 1.501 -0.797 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -120.26 -4.03 9.98 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.126 177.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.2 OUTLIER -82.97 -43.52 16.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.025 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.763 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.46 -25.6 10.56 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.51 0.672 . . . . 0.0 109.821 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.93 -56.43 2.18 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.703 -178.728 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.8 t-20 -66.01 -54.3 27.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.973 0.416 . . . . 0.0 111.866 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.473 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.659 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.62 0.247 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.488 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.07 33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 111.109 -179.763 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -138.01 -31.02 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.523 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.569 HG22 ' N ' ' B' ' 16' ' ' THR . 0.1 OUTLIER -121.88 -43.81 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.158 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.865 HG22 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -54.86 -71.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.872 0.844 . . . . 0.0 111.759 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.551 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.0 tp -94.4 -43.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 114.05 -1.432 . . . . 0.0 112.946 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.879 ' HA ' ' HE2' ' B' ' 21' ' ' LYS . 1.4 t-80 -55.34 -27.48 47.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.914 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.434 ' CG ' ' HB1' ' B' ' 24' ' ' ALA . 20.8 t0 -74.03 -47.35 37.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.629 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.716 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -58.94 -12.92 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.095 0.474 . . . . 0.0 110.583 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.879 ' HE2' ' HA ' ' B' ' 18' ' ' HIS . 43.6 mttm -62.04 -67.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.813 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.495 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -59.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.155 -1.384 . . . . 0.0 112.372 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.495 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 0.4 OUTLIER -120.29 44.51 2.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -178.62 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.809 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.3 -7.07 2.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.155 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.84 26.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 109.918 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.1 OUTLIER -120.94 13.86 11.46 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.809 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.58 15.59 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' B' ' 26' ' ' PHE . 29.3 mm-40 -121.81 -15.27 7.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.709 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.4 -55.95 1.92 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.667 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.682 ' HG3' ' HE3' ' B' ' 34' ' ' LYS . 6.3 tpp180 -111.15 -65.39 1.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -178.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' B' ' 27' ' ' GLU . . . -49.46 -7.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.738 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -95.46 -47.03 6.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.916 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.64 -12.84 0.82 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.268 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.682 ' HE3' ' HG3' ' B' ' 30' ' ' ARG . 25.9 mmtp -60.12 -41.94 93.7 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.572 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.19 -35.3 55.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.67 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.916 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 1.5 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.208 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.629 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.685 0.278 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.48 -73.96 0.63 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.827 -179.022 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.783 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.15 -25.92 5.2 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.886 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.66 -42.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.629 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.99 -45.02 0.17 Allowed Glycine 0 CA--C 1.501 -0.783 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.416 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.434 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.43 -7.61 9.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.039 178.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.595 ' O ' ' HA ' ' B' ' 16' ' ' THR . 3.0 m-85 -83.04 -26.21 31.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.886 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -67.74 -24.05 65.32 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.546 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.41 -67.66 0.98 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.54 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -58.22 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.558 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.37 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.603 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.609 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 110.984 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -132.33 -29.84 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.164 179.139 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.577 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -122.05 -58.95 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.087 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.684 HG22 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -40.9 -61.1 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.662 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 1.1 tp -104.36 -43.29 8.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.818 -176.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.595 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 2.1 t-80 -57.2 -13.27 2.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.13 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 11.4 t0 -75.61 -38.65 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 12.1 ptm180 -65.98 -8.13 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 109.755 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.595 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 7.4 mtpt -72.31 -59.59 2.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.706 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.9 OUTLIER -64.05 -117.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.9 -179.033 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.514 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 1.7 m-85 -120.68 49.19 1.49 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.285 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.48 -9.79 9.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.476 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.85 -55.32 5.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.166 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.461 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.2 OUTLIER -120.42 22.15 11.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 178.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.879 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.44 8.48 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.422 0.629 . . . . 0.0 110.363 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -121.02 -1.75 9.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.443 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -121.03 -63.83 1.3 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.96 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.545 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -120.62 -48.45 2.28 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.765 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -54.22 -2.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.709 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -98.03 -46.42 5.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.822 0.344 . . . . 0.0 110.785 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.852 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.86 -12.06 0.74 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.249 0.547 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.765 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 22.0 mmtp -59.72 -42.12 92.41 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.59 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -76.64 -34.14 58.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.281 -1.781 . . . . 0.0 109.996 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.852 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.241 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.611 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.645 0.26 . . . . 0.0 111.355 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.592 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.7 -74.15 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.802 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.56 -26.92 5.24 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.833 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.43 -43.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.611 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.49 -44.4 0.19 Allowed Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.28 -7.25 9.81 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.278 178.038 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.03 -42.1 24.45 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.833 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.82 -20.61 6.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.327 0.584 . . . . 0.0 109.761 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.89 -66.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -55.42 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.1 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.603 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.931 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.604 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.354 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.504 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -77.8 32.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 110.932 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.49 -29.71 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.078 179.048 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.629 HG22 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.44 -57.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.065 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.64 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.8 m -43.07 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.849 0.833 . . . . 0.0 111.996 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.579 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.8 tp -91.17 -41.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.135 -1.393 . . . . 0.0 113.027 -177.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 6.6 t-80 -61.03 -16.9 48.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.028 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 20.8 t0 -73.62 -43.99 58.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.716 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.511 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -63.74 -13.44 43.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.425 0.631 . . . . 0.0 109.599 179.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 1.9 mtpt -72.29 -58.8 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.01 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -62.85 -121.4 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.043 -178.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.481 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 1.3 m-85 -121.29 43.67 2.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.628 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.839 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -59.68 -11.36 4.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.499 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -47.1 -52.05 16.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.888 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.8 22.19 11.2 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.839 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.72 14.51 5.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.573 0.701 . . . . 0.0 110.146 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -121.15 -6.59 9.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.662 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.01 -56.96 1.9 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.434 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' B' ' 32' ' ' ARG . 9.9 tpp85 -120.24 -57.16 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.9 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -50.5 -6.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.725 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -96.66 -47.48 5.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.879 0.371 . . . . 0.0 110.243 179.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.913 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -53.77 -13.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.169 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.9 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 2.6 mmtp -59.01 -42.33 89.85 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.595 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -77.49 -34.25 54.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.383 -1.735 . . . . 0.0 109.994 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.913 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.598 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.582 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.76 -74.51 0.61 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.729 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.5 -25.02 5.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.79 ' HB ' HG23 ' B' ' 16' ' ' THR . 1.0 OUTLIER -38.7 -43.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.344 0.403 . . . . 0.0 111.866 -179.335 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.598 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.44 -44.22 0.27 Allowed Glycine 0 CA--C 1.502 -0.725 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -118.2 -8.36 10.64 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.439 177.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -78.36 -42.48 30.32 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.663 ' HB3' HG22 ' A' ' 4' ' ' VAL . 1.3 ptmt -50.36 -33.77 21.66 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.538 0.685 . . . . 0.0 109.756 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.51 -50.21 5.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.283 -179.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.654 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -69.79 -88.2 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.805 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.601 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.51 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.648 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.561 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -76.61 33.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.148 0.499 . . . . 0.0 110.81 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -135.99 -34.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.287 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.629 HG22 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -120.64 -53.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.79 HG23 ' HB ' ' A' ' 4' ' ' VAL . 1.1 m -43.27 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.615 0.721 . . . . 0.0 111.851 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.578 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.5 tp -99.53 -39.69 7.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.623 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.63 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.5 t-80 -60.91 -25.04 66.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.527 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.601 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 50.7 t0 -62.97 -54.07 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.223 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.604 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.13 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.24 0.543 . . . . 0.0 110.373 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.63 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -57.92 -33.16 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.872 179.415 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.419 ' CG ' ' H ' ' B' ' 23' ' ' PHE . 0.4 OUTLIER -118.67 -98.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.132 -178.402 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.724 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 60.2 m-85 -121.52 66.87 0.89 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.937 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.56 -6.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 0.0 110.793 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.724 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.85 -53.4 25.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.1 OUTLIER -107.28 0.53 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.713 179.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.937 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.7 mt-10 -75.67 15.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.442 0.639 . . . . 0.0 110.295 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.7 mm-40 -121.07 -8.28 9.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.627 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -121.21 -65.55 1.13 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.524 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -120.88 -46.56 2.33 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.503 ' HB2' ' N ' ' B' ' 27' ' ' GLU . . . -55.07 0.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.716 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -105.18 -46.69 4.17 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.848 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.67 -13.06 2.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.341 0.591 . . . . 0.0 109.599 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 4.8 mmmm -60.34 -39.15 86.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.5 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -80.52 -33.68 36.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.007 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.848 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.28 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.607 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.528 0.204 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.605 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.46 -74.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.844 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.08 -25.03 5.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.873 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.27 -41.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.607 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.18 -46.14 0.22 Allowed Glycine 0 CA--C 1.497 -1.043 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.98 -4.03 9.61 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.178 178.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.624 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -85.32 -34.23 21.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.223 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.873 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -60.99 -21.1 63.22 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.53 0.681 . . . . 0.0 109.468 179.083 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.571 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.42 -64.12 1.35 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.312 -178.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.564 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -67.05 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.526 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.475 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.643 ' HB2' ' HG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.18 30.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.346 0.593 . . . . 0.0 110.996 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.53 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.12 -30.72 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.816 178.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.601 HG22 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.59 -59.36 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.372 179.446 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.643 ' HG1' ' HB2' ' B' ' 12' ' ' LYS . 1.3 m -39.58 -64.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 112.669 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.563 HG22 ' HG ' ' B' ' 13' ' ' LEU . 2.3 tp -101.78 -40.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.44 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.62 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.3 t-80 -62.41 -14.98 46.32 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.334 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' B' ' 21' ' ' LYS . 12.5 t0 -65.24 -54.47 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.635 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.674 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -63.31 -1.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -93.21 -54.98 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.509 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -66.91 -105.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.566 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.744 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 8.6 m-85 -120.54 45.04 2.31 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.935 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.29 -6.49 9.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.54 0.21 . . . . 0.0 111.181 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.744 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.93 -50.59 34.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.253 179.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.448 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.19 14.63 12.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.935 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.05 9.69 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.328 0.585 . . . . 0.0 109.966 178.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' B' ' 26' ' ' PHE . 10.3 mm-40 -120.99 -0.21 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.7 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -120.47 -71.14 0.75 Allowed 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.627 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.73 -38.47 2.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 -179.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.627 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.98 8.19 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.694 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.08 -46.44 3.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.409 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.839 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.72 -13.64 2.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.455 ' HD3' ' HD3' ' B' ' 30' ' ' ARG . 5.8 mmmm -57.67 -40.51 79.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.578 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.1 m95 -79.35 -32.76 43.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.185 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.839 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.247 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.535 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.601 0.239 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.59 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.28 -73.09 0.66 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 111.603 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.69 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.16 -28.13 4.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.38 -46.27 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.535 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.74 -41.69 0.19 Allowed Glycine 0 CA--C 1.502 -0.735 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.368 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.589 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -118.58 -10.8 10.0 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.543 -0.328 . . . . 0.0 110.294 178.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.47 -47.94 13.56 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.642 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HB3' HG21 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -47.37 -26.93 1.43 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.547 0.689 . . . . 0.0 110.232 -179.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.33 -40.74 5.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.675 -178.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.589 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.67 -76.36 0.22 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.223 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.614 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.567 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -76.7 35.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.847 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.92 -33.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 179.207 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.58 HD13 ' O ' ' B' ' 15' ' ' ILE . 0.1 OUTLIER -122.39 -44.44 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.614 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 2.5 m -53.93 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.104 0.954 . . . . 0.0 111.692 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.676 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 2.0 tp -91.09 -41.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.705 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.635 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.4 t-80 -61.81 -10.52 9.27 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.509 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.614 ' C ' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -72.63 -34.37 67.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 ptm180 -74.09 21.82 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.58 0.705 . . . . 0.0 109.437 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.635 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.7 tttm -120.26 -38.58 2.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.641 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.417 ' CG ' ' H ' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -78.24 -102.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.583 -179.154 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.676 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 49.8 m-85 -120.52 36.27 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.974 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.42 -8.79 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.676 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.21 -44.02 53.01 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.802 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.504 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -117.66 7.11 12.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.073 179.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.974 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.53 8.45 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.135 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.9 mm-40 -120.49 -4.93 9.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.483 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.89 -65.85 1.11 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.037 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.546 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.77 -46.81 2.34 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.777 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -53.5 -3.27 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.715 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.41 -46.38 6.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.61 -12.92 0.83 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.186 0.517 . . . . 0.0 110.111 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 15.4 mmtp -59.66 -41.56 90.86 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.607 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -78.23 -33.31 49.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.05 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.849 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.225 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.608 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.641 0.258 . . . . 0.0 111.346 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.618 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.68 -73.49 0.64 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.813 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.73 -27.06 5.14 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.834 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.09 -42.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.405 0.441 . . . . 0.0 112.153 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.608 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.1 -45.66 0.28 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.19 -5.53 9.95 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.183 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.672 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.68 -44.64 18.46 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.834 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.0 ptmt -50.96 -28.36 9.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.629 0.728 . . . . 0.0 110.295 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -104.98 -50.56 3.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.852 -177.336 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.6 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -74.25 -68.43 0.53 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.02 -179.338 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.583 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.427 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.659 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.748 0.308 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.601 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.54 33.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.21 0.528 . . . . 0.0 110.733 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -135.6 -33.63 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.206 179.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -121.24 -48.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.052 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.727 HG23 ' HB ' ' A' ' 4' ' ' VAL . 1.4 m -48.65 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.695 0.76 . . . . 0.0 111.419 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.59 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.8 tp -91.91 -41.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.605 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.627 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.7 t-80 -58.08 -28.16 64.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.361 -177.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.581 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.3 t0 -61.58 -61.9 2.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.442 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.729 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -62.53 -8.79 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.327 0.584 . . . . 0.0 109.968 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.8 tttp -83.96 -42.47 16.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.271 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -81.7 -107.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -121.12 40.99 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.95 -12.1 23.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -42.26 59.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.511 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.26 3.31 10.86 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.615 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.95 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -73.97 8.4 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.238 0.542 . . . . 0.0 110.602 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' B' ' 26' ' ' PHE . 3.8 mm-40 -120.18 -3.02 10.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -120.64 -69.51 0.84 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.579 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -38.73 2.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.579 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.63 10.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.677 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -111.07 -45.3 3.46 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 110.18 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -58.86 -11.75 3.64 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.562 ' HE2' ' HD2' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -60.41 -39.09 86.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 176.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.561 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.3 m95 -80.12 -32.69 39.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.946 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.833 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.583 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.46 -74.0 0.63 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.585 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.709 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.4 -26.88 5.31 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.859 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.4 p -38.24 -41.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.58 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.62 -45.14 0.15 Allowed Glycine 0 CA--C 1.501 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.474 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.446 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -120.17 -10.11 9.44 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.227 -0.486 . . . . 0.0 110.042 177.631 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.66 ' O ' ' HA ' ' B' ' 16' ' ' THR . 4.1 m-85 -80.17 -23.14 41.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.131 0.491 . . . . 0.0 112.133 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.859 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.34 -34.09 76.6 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.652 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -103.33 -65.93 0.97 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.205 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.507 ' H ' HH11 ' A' ' 9' ' ' ARG . 1.0 OUTLIER -61.25 -88.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.932 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HB3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.371 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.613 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.56 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.24 32.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.55 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -132.63 -32.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.13 179.13 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.571 HD11 ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -121.5 -57.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.12 179.481 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.731 HG22 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -40.85 -60.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 112.688 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.558 HD11 ' HZ3' ' A' ' 3' ' ' LYS . 1.2 tp -104.82 -43.07 7.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.321 -176.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.715 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -57.72 -12.67 3.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.588 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' B' ' 21' ' ' LYS . 10.0 t0 -71.89 -50.79 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.972 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.818 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -65.65 -3.89 5.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.236 0.541 . . . . 0.0 110.138 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.715 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -78.99 -49.19 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -109.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.661 ' HD1' ' HD3' ' B' ' 25' ' ' LYS . 42.1 m-85 -121.39 46.81 1.97 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.92 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.48 -7.44 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.633 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.661 ' HD3' ' HD1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.48 -51.33 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.519 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.451 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.48 18.18 12.1 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.92 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -77.64 8.29 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.419 0.628 . . . . 0.0 110.681 179.307 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -121.03 0.46 10.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.623 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 -69.45 0.84 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.59 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.81 -40.33 2.65 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.928 -179.131 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.59 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -61.1 8.29 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.675 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -110.23 -45.96 3.5 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 120.882 0.372 . . . . 0.0 110.322 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.12 -14.73 1.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' B' ' 32' ' ' ARG . 1.3 mmmt -58.14 -43.36 87.29 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.8 -72.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.142 178.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.929 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.61 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.43 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.599 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.74 -73.45 0.65 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.915 -178.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.725 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.17 -26.68 5.04 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.59 -42.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.61 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.71 -44.94 0.21 Allowed Glycine 0 CA--C 1.499 -0.913 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.35 -7.23 9.78 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 115.336 -0.432 . . . . 0.0 110.221 178.235 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.624 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.7 OUTLIER -80.25 -42.08 23.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.871 ' HB3' HG21 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.94 -18.41 4.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.249 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -115.06 -42.29 3.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.909 -178.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.615 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 3.4 t30 -82.33 -78.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.07 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.588 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.682 0.277 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.489 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -77.27 31.46 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.229 0.537 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -130.67 -31.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.916 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.656 HG22 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -121.7 -58.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.181 179.359 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.658 HG23 ' HB ' ' A' ' 4' ' ' VAL . 1.9 m -40.09 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.859 0.837 . . . . 0.0 112.059 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.585 HG23 ' N ' ' B' ' 18' ' ' HIS . 3.2 tp -93.03 -40.93 12.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.811 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.1 t-80 -60.05 -15.05 19.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.35 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.526 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 15.8 t0 -70.77 -47.17 60.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.34 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.72 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.57 -9.2 17.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 109.276 178.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 31.0 tttt -83.11 -42.77 17.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.041 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -81.77 -110.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -179.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.54 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 30.9 m-85 -120.92 48.26 1.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.921 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.68 -9.79 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.542 0.211 . . . . 0.0 111.3 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.2 -47.07 46.4 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.608 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.516 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.03 5.92 10.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.921 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -74.45 9.77 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 0.0 110.731 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' B' ' 26' ' ' PHE . 1.3 mm-40 -120.63 -8.01 9.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.608 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.43 -62.9 1.37 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.618 ' HG2' ' HE2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -120.36 -48.67 2.3 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -178.526 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.536 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -53.76 -4.39 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.726 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.27 -46.42 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.821 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.55 -11.03 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.618 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 48.3 mmtt -61.84 -41.57 97.97 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.602 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.39 -34.43 54.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.821 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.406 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.605 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.574 0.226 . . . . 0.0 111.433 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.589 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.53 -73.41 0.65 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.671 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.94 -26.85 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.368 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.754 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.2 p -38.55 -42.8 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 O-C-N 123.394 0.434 . . . . 0.0 112.149 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.47 -43.04 0.23 Allowed Glycine 0 CA--C 1.501 -0.818 0 C-N-CA 120.762 -0.733 . . . . 0.0 111.331 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.664 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -120.07 -11.57 9.24 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.357 178.23 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.748 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.3 OUTLIER -75.47 -44.32 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.749 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.3 -25.8 10.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.543 0.687 . . . . 0.0 109.999 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.557 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -108.14 -23.69 11.86 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.839 -178.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.664 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -96.65 -75.14 0.54 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.592 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.678 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.706 0.289 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.67 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.01 31.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.168 0.509 . . . . 0.0 111.116 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -135.52 -33.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.452 179.205 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.651 HD13 ' HB2' ' B' ' 19' ' ' ASP . 0.1 OUTLIER -121.82 -40.97 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.591 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.754 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -57.08 -70.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.786 0.803 . . . . 0.0 111.568 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.543 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.0 tp -95.86 -39.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.301 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.696 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.3 t-80 -62.05 -30.85 71.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.198 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.651 ' HB2' HD13 ' B' ' 15' ' ' ILE . 26.8 t70 -65.56 -57.75 7.44 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.29 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.748 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -63.96 -13.68 47.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.387 0.613 . . . . 0.0 109.592 178.788 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.696 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.1 tttp -71.18 -42.98 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.779 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -89.15 -110.83 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 -179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.596 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 6.7 m-85 -121.37 56.72 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 0.0 111.539 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.947 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.64 -7.49 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.339 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.56 -47.75 49.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.555 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.63 6.75 10.52 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.052 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.947 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -72.22 11.54 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.249 0.547 . . . . 0.0 111.128 179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' B' ' 26' ' ' PHE . 8.6 mm-40 -120.64 -10.89 9.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.04 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.19 -61.48 1.54 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.808 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.561 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -119.99 -45.84 2.45 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.561 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.8 6.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.69 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.51 -45.04 3.76 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.05 0.452 . . . . 0.0 110.024 179.097 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.07 -14.89 2.92 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 9.6 mmmt -58.41 -42.89 88.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.583 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.6 -72.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.128 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.603 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.657 0.265 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.581 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.63 -73.69 0.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.771 -178.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.716 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.06 -27.13 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.536 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.811 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.52 -43.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 123.44 0.462 . . . . 0.0 112.106 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.603 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.46 -43.48 0.24 Allowed Glycine 0 CA--C 1.502 -0.778 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -119.81 -8.34 9.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.373 178.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.522 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -43.29 20.75 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.47 -24.37 4.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.52 0.676 . . . . 0.0 109.651 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -103.76 -57.13 2.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.235 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.9 t-20 -62.73 -85.83 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.449 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.675 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.985 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.554 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.59 32.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.259 0.552 . . . . 0.0 110.874 -179.825 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.86 -28.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.968 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.748 HG22 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.95 -60.96 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.169 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.748 ' H ' HG22 ' B' ' 15' ' ' ILE . 1.8 m -39.83 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.98 0.895 . . . . 0.0 112.054 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.582 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.7 tp -90.9 -42.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 113.959 -1.473 . . . . 0.0 113.041 -177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.646 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.0 t-80 -59.79 -19.48 50.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.444 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 7.6 t0 -64.76 -56.94 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.711 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -66.46 -2.73 4.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.433 0.635 . . . . 0.0 109.52 178.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.646 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 21.4 tttp -91.14 -40.79 11.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.228 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -80.77 -106.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.655 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.551 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 56.7 m-85 -121.34 40.37 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.922 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.98 -8.85 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.304 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.99 -42.96 60.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.013 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.594 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -114.87 6.2 15.36 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 179.577 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.922 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -75.78 10.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.376 0.607 . . . . 0.0 110.18 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.3 mm-40 -121.5 -4.37 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.8 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -120.92 -66.33 1.06 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.54 -43.7 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.172 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.594 ' HB3' ' HD1' ' B' ' 26' ' ' PHE . . . -59.9 8.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.695 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.17 -44.54 3.92 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.859 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -59.28 -9.79 2.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.465 0.65 . . . . 0.0 109.379 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' B' ' 32' ' ' ARG . 7.1 mmmt -63.32 -38.36 90.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.526 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -81.36 -32.22 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.039 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.859 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.306 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.549 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.646 0.26 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.587 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.41 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.595 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.689 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.49 -29.54 4.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.827 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -37.73 -44.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.454 0.471 . . . . 0.0 112.262 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.549 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.04 -43.84 0.2 Allowed Glycine 0 CA--C 1.501 -0.821 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.477 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.716 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.48 -9.23 9.47 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.288 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.562 ' HB2' ' C ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -80.62 -41.41 23.96 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.827 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.51 -27.07 9.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.604 0.716 . . . . 0.0 109.701 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -101.77 -42.53 6.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.798 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.716 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -70.79 -80.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.574 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.296 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.617 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.479 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.99 31.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.524 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -133.56 -34.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.42 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.799 HG22 ' N ' ' B' ' 16' ' ' THR . 0.1 OUTLIER -121.91 -47.16 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.799 ' N ' HG22 ' B' ' 15' ' ' ILE . 1.2 m -49.79 -64.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.698 0.761 . . . . 0.0 112.274 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.568 HG23 ' N ' ' B' ' 18' ' ' HIS . 1.6 tp -106.59 -41.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.584 -176.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.7 t-80 -55.45 -21.52 16.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.7 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -71.45 -35.03 70.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.329 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.616 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -65.92 -10.14 36.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.476 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.7 mtpp -76.03 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -60.62 -116.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.931 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.501 ' HD2' ' HE1' ' B' ' 26' ' ' PHE . 0.8 OUTLIER -120.96 47.81 1.75 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.026 -178.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.932 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -67.71 -5.08 14.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.508 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -54.49 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.501 ' HE1' ' HD2' ' B' ' 23' ' ' PHE . 1.5 p90 -121.32 25.58 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.932 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -88.15 15.34 7.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.823 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.48 -2.53 9.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.385 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -121.11 -63.5 1.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.949 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.532 ' C ' ' H ' ' B' ' 32' ' ' ARG . 1.8 ttm180 -120.5 -47.35 2.34 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.75 ' HB2' ' HA ' ' B' ' 27' ' ' GLU . . . -54.73 0.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.691 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.89 -47.72 4.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 120.89 0.376 . . . . 0.0 110.599 179.323 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.891 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.29 -11.56 1.85 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.267 0.556 . . . . 0.0 109.717 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.476 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 18.2 mmmt -61.21 -38.92 88.32 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.76 -35.92 37.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.898 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.891 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.368 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.575 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.579 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -74.09 0.62 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.718 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.12 -26.79 5.44 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.268 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.915 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.93 -42.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 123.507 0.504 . . . . 0.0 112.15 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.575 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.18 -45.57 0.13 Allowed Glycine 0 CA--C 1.501 -0.801 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.614 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.34 -8.98 9.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.243 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -77.65 -41.7 37.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 111.836 -179.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.915 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.11 -24.33 17.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.407 0.622 . . . . 0.0 110.083 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.547 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -106.65 -65.41 1.09 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.555 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.614 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -61.19 -88.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.79 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.267 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.672 0.272 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.549 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.11 31.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.537 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -130.55 -26.63 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.129 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.531 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -122.06 -62.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.09 179.426 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.548 HG21 ' CA ' ' A' ' 4' ' ' VAL . 2.5 m -39.69 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.969 0.89 . . . . 0.0 111.99 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.619 HD12 ' HD3' ' B' ' 20' ' ' ARG . 2.2 tp -83.42 -42.89 17.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.097 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.6 t-80 -58.18 -18.07 23.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.889 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' B' ' 21' ' ' LYS . 8.7 t70 -72.02 -32.95 67.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.348 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.654 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 13.0 mtp85 -66.28 -3.95 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.473 0.654 . . . . 0.0 109.341 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 22.3 mtpp -88.59 -54.92 3.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.619 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -59.44 -111.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.512 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.43 41.5 3.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.952 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.53 3.22 5.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -47.08 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -120.86 7.96 10.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.615 179.1 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.952 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -71.24 6.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.092 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.2 mm-40 -118.66 -4.18 10.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.087 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.69 -68.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.822 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.616 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.36 -39.76 2.64 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.616 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.51 7.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.712 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.18 -46.64 3.54 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 178.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.845 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.56 -12.92 3.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.522 0.677 . . . . 0.0 109.369 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' B' ' 32' ' ' ARG . 5.1 mmmm -60.15 -38.47 83.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.628 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.2 m95 -80.69 -31.85 36.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.022 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.845 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.323 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HE1' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.687 0.279 . . . . 0.0 111.395 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.604 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.49 -72.61 0.68 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.84 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.01 -28.68 4.73 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.876 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.12 -44.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.526 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.84 -45.95 0.19 Allowed Glycine 0 CA--C 1.5 -0.895 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.659 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.4 -6.1 9.82 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.224 -0.488 . . . . 0.0 110.315 178.154 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.619 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 1.2 m-85 -83.39 -38.57 21.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.876 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -57.24 -16.06 7.44 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.314 0.578 . . . . 0.0 109.899 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -117.46 -40.18 3.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.889 -178.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.659 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 11.9 t30 -77.25 -72.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.875 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HE ' ' HB2' ' A' ' 11' ' ' ARG . 2.3 tpp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.386 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.474 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -78.29 32.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.357 0.599 . . . . 0.0 110.434 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.39 -29.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.213 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.413 HG22 ' H ' ' B' ' 16' ' ' THR . 0.6 OUTLIER -121.66 -55.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.417 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 4' ' ' VAL . 2.6 m -43.92 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.926 0.869 . . . . 0.0 112.102 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.591 HG23 ' N ' ' B' ' 18' ' ' HIS . 3.1 tp -94.11 -40.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.799 -1.546 . . . . 0.0 112.591 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.0 t-80 -58.46 -20.29 43.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.853 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.495 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 19.5 t70 -69.82 -48.04 60.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.674 ' NH2' ' HE3' ' A' ' 3' ' ' LYS . 18.1 mtm180 -66.21 -12.49 56.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 109.132 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.708 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.4 ttmm -79.8 -44.38 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.705 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -77.94 -111.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.42 ' H ' ' CG ' ' B' ' 22' ' ' GLU . 16.5 m-85 -121.3 47.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.953 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -39.82 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.597 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.35 3.17 10.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.953 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.9 mt-10 -74.03 8.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 110.24 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' B' ' 26' ' ' PHE . 7.2 mm-40 -120.1 -1.35 10.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -120.7 -75.95 0.59 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.7 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 -36.57 3.13 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.251 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.7 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -57.81 -4.16 0.27 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.721 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.2 OUTLIER -96.42 -47.89 5.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.13 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.919 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -51.18 -13.14 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.269 0.557 . . . . 0.0 110.398 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.512 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 3.3 mttt -61.27 -45.53 94.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.557 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -74.06 -30.2 62.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.848 -1.523 . . . . 0.0 109.459 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.919 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.153 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.589 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.625 0.25 . . . . 0.0 111.488 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.595 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.86 -74.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.833 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.82 -25.16 5.49 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.839 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -38.98 -42.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.589 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.11 -45.2 0.26 Allowed Glycine 0 CA--C 1.502 -0.765 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.0 -6.0 10.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.195 -0.503 . . . . 0.0 110.248 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -81.5 -42.3 20.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.175 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.839 ' HB3' HG21 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.35 -19.06 4.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.991 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.515 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.52 -59.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -62.57 -79.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.621 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.115 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.602 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.64 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.25 31.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 111.126 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.58 -30.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.117 178.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.52 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -121.25 -58.79 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.93 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.7 HG22 ' HB ' ' A' ' 4' ' ' VAL . 1.8 m -40.71 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.954 0.883 . . . . 0.0 111.851 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.712 HD11 ' HZ2' ' A' ' 3' ' ' LYS . 3.6 tp -89.26 -40.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.053 -1.43 . . . . 0.0 112.954 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.647 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -61.13 -17.82 54.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.203 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 16.3 t0 -72.12 -47.28 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.724 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 6.6 ptm180 -67.28 -1.91 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 17.2 tttm -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.6 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 2.1 pt-20 -78.71 -107.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -120.97 37.63 4.27 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -56.22 -12.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.616 0.246 . . . . 0.0 111.454 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -47.57 -52.37 17.9 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.459 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -113.05 16.26 19.36 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 179.196 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.41 11.38 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.364 0.602 . . . . 0.0 110.192 178.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -120.51 1.78 10.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.675 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -120.46 -71.93 0.71 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.603 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.16 -36.56 3.09 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.103 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.603 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -64.1 9.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.714 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.37 -45.55 3.7 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 120.927 0.394 . . . . 0.0 110.21 179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.31 -12.65 2.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.448 0.642 . . . . 0.0 109.431 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' B' ' 32' ' ' ARG . 6.3 mmmt -59.43 -39.72 84.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.575 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -80.59 -32.76 36.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.288 -1.778 . . . . 0.0 110.214 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.833 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.218 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.6 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.421 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.596 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.23 -73.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.704 -178.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.787 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.35 -26.68 4.98 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.16 -42.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.6 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.64 -44.7 0.2 Allowed Glycine 0 CA--C 1.499 -0.957 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.46 -5.65 9.81 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.232 -0.484 . . . . 0.0 110.383 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -80.53 -45.22 17.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.171 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.86 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.27 -20.98 3.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.625 . . . . 0.0 110.264 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.625 HH11 ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.47 -44.32 3.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.456 -178.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.4 t-20 -80.53 -83.29 0.11 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.203 0.525 . . . . 0.0 111.688 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.356 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.591 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.726 0.298 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.598 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.98 34.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.398 0.618 . . . . 0.0 110.984 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.32 -31.31 1.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.791 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.65 HG22 ' H ' ' B' ' 16' ' ' THR . 0.4 OUTLIER -121.18 -59.47 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.011 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.719 ' HG1' ' HA ' ' A' ' 4' ' ' VAL . 1.9 m -39.72 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.899 0.857 . . . . 0.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.682 HD11 ' HZ1' ' A' ' 3' ' ' LYS . 2.3 tp -88.53 -40.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.897 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.644 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.3 t-80 -63.45 -21.19 66.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.008 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' B' ' 21' ' ' LYS . 30.3 t70 -61.87 -64.15 1.03 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.063 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.727 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.36 -3.82 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.263 0.554 . . . . 0.0 110.08 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.644 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.0 ttmm -82.44 -33.21 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.2 pt-20 -98.26 -106.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.795 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.596 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 17.4 m-85 -120.49 46.62 1.95 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.885 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.23 -10.05 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.322 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.596 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.83 -53.55 7.36 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 109.935 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -120.9 23.13 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.396 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.885 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -89.65 23.05 2.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.307 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -122.08 -19.79 6.48 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.338 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -121.97 -40.57 2.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.238 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' B' ' 32' ' ' ARG . 8.4 tpp85 -117.72 -73.05 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.837 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -49.5 -7.52 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.101 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.732 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.55 -46.25 7.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.879 0.371 . . . . 0.0 110.679 179.354 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.856 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.26 -11.35 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.071 0.462 . . . . 0.0 110.502 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 3.4 mmtp -63.28 -40.35 97.13 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' B' ' 34' ' ' LYS . 1.4 m95 -77.81 -34.9 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.725 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.856 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.217 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.625 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.569 0.223 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.585 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.42 -73.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 111.792 -178.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.696 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.87 -27.3 5.04 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -178.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.838 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.37 -44.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.625 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.28 -43.49 0.22 Allowed Glycine 0 CA--C 1.502 -0.726 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -119.69 -8.69 9.88 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.179 178.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.592 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.5 OUTLIER -78.98 -46.22 18.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.819 -179.258 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.838 ' HB3' HG21 ' A' ' 4' ' ' VAL . 2.3 ptmt -47.2 -32.84 4.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.581 0.705 . . . . 0.0 109.804 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -95.84 -60.07 1.72 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.295 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -64.5 -91.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.963 -179.518 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.589 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.409 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.644 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.734 0.302 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.548 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.55 33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.273 0.558 . . . . 0.0 110.943 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.39 -33.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.19 178.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.589 HD11 ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -120.83 -49.97 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.221 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.708 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.7 m -48.11 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.855 0.836 . . . . 0.0 111.375 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.584 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.5 tp -90.28 -42.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.708 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.665 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.4 t-80 -57.24 -22.71 43.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.091 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.46 ' CG ' ' HB1' ' B' ' 24' ' ' ALA . 16.8 t0 -66.03 -59.8 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.324 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.803 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.04 -7.54 12.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.291 0.567 . . . . 0.0 109.664 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.665 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.6 tttm -77.87 -40.53 39.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.19 -108.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.57 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.629 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 27.9 m-85 -120.72 45.69 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 111.365 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.959 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.68 -3.98 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.774 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -46.64 -52.57 13.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.87 0.367 . . . . 0.0 110.417 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.509 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.87 9.75 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.771 179.188 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.959 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -75.34 10.31 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' B' ' 26' ' ' PHE . 16.5 mm-40 -120.1 -3.48 10.09 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -120.6 -69.43 0.84 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.527 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.07 -42.78 2.47 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.173 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' B' ' 27' ' ' GLU . . . -55.29 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.707 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.66 -48.67 3.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.746 0.307 . . . . 0.0 110.487 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.844 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.28 -12.79 1.75 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.224 0.535 . . . . 0.0 109.662 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.456 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 5.7 mmmt -58.9 -40.73 85.34 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.617 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -77.75 -35.28 51.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.064 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.844 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.647 ' HE1' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.572 0.225 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.589 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.51 -74.19 0.62 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.848 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.09 -25.86 5.24 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.289 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.73 -42.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.624 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.16 -46.58 0.15 Allowed Glycine 0 CA--C 1.497 -1.071 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.26 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -121.19 -4.4 9.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.151 -0.525 . . . . 0.0 110.162 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.4 m-85 -83.71 -36.48 23.66 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.277 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.843 ' HB3' HG22 ' A' ' 4' ' ' VAL . 1.4 pttt -58.25 -22.09 50.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.576 0.703 . . . . 0.0 109.706 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.521 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -111.44 -60.7 1.81 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.319 -178.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -68.82 -92.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.931 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.507 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.614 ' HB2' ' HG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.571 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -78.07 32.34 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.337 0.589 . . . . 0.0 110.849 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -129.58 -31.14 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.763 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.535 HG21 ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -122.27 -59.4 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.135 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.614 ' HG1' ' HB2' ' B' ' 12' ' ' LYS . 2.0 m -39.2 -65.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.552 0.692 . . . . 0.0 112.619 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.571 HG22 ' HG ' ' B' ' 13' ' ' LEU . 2.7 tp -101.64 -40.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.572 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.8 t-80 -61.57 -14.25 28.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.478 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' B' ' 21' ' ' LYS . 13.2 t0 -67.04 -48.21 69.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.1 -0.375 . . . . 0.0 111.835 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.638 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.22 -4.26 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.442 0.639 . . . . 0.0 109.584 178.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 20.3 ttmt -93.56 -45.06 7.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.217 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -72.0 -109.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.714 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' B' ' 22' ' ' GLU . 14.0 m-85 -120.22 46.58 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.107 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.961 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.92 -0.68 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.509 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.408 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -57.0 -37.07 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 0.0 110.419 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.77 ' HB2' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.52 -3.34 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.961 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.6 mt-10 -74.34 11.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 109.841 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.1 mm-40 -120.47 -7.58 9.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -120.63 -73.43 0.65 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.7 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -39.48 2.75 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.77 ' HB3' ' HB2' ' B' ' 26' ' ' PHE . . . -55.94 -8.1 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.707 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.19 -49.46 5.73 Favored 'General case' 0 CA--C 1.509 -0.605 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.338 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.89 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -49.9 -14.65 0.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.167 0.508 . . . . 0.0 110.509 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.532 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 1.9 mttm -60.61 -46.29 90.8 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.502 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -71.85 -34.54 69.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.349 178.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.89 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.17 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.599 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.571 0.224 . . . . 0.0 111.442 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.671 ' HZ3' HG22 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.43 -74.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.818 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.3 -24.9 5.34 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.893 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.99 -40.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.599 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.34 -48.28 0.21 Allowed Glycine 0 CA--C 1.498 -1.027 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 2.0 m-85 -121.51 -3.58 9.35 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.333 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -83.53 -32.95 25.61 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.811 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.893 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.31 -17.33 58.45 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.431 0.634 . . . . 0.0 109.329 178.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -119.23 -65.81 1.13 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.306 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.552 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 2.0 t-20 -62.76 -84.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.454 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.624 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.705 0.288 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.577 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.65 31.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.274 0.559 . . . . 0.0 111.152 -179.86 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.54 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.24 -33.12 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.787 178.541 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.596 HG22 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -120.95 -55.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.199 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.702 ' HG1' ' HA ' ' A' ' 4' ' ' VAL . 2.7 m -40.64 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.711 0.767 . . . . 0.0 112.194 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.671 HD11 ' HZ3' ' A' ' 3' ' ' LYS . 2.8 tp -99.13 -39.76 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.309 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 9.5 t-80 -62.53 -16.74 57.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.01 -0.996 . . . . 0.0 112.725 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' B' ' 15' ' ' ILE . 51.0 t0 -69.54 -48.54 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.922 -0.486 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.488 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -72.0 -12.97 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.214 0.53 . . . . 0.0 110.089 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -55.28 -28.74 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.287 179.441 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -120.66 -105.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.665 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 82.9 m-85 -121.12 66.9 0.87 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.647 0.261 . . . . 0.0 111.66 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.922 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -71.39 -11.34 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.281 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.665 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -47.42 -52.85 15.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.607 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.633 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.37 20.81 11.86 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.922 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.3 5.34 10.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.81 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -120.67 3.34 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.43 -70.83 0.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.646 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.7 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.81 -38.78 2.69 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.381 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.7 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.65 8.41 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.702 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -104.75 -45.47 4.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.874 0.368 . . . . 0.0 110.516 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.771 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.28 -11.79 0.85 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 109.797 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.576 ' HE3' ' O ' ' B' ' 30' ' ' ARG . 26.4 mmtp -60.99 -41.48 96.56 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.589 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.8 m95 -78.41 -30.79 47.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.308 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.771 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.681 0.276 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.583 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.15 -73.58 0.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 111.534 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.734 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.39 -27.36 4.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.706 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.4 p -38.57 -44.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.566 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.87 -42.6 0.25 Allowed Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.05 -7.55 9.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.438 178.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.618 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.3 OUTLIER -77.88 -46.95 19.89 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' HB3' HG22 ' A' ' 4' ' ' VAL . 2.4 ptmt -47.65 -33.16 6.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.65 0.738 . . . . 0.0 109.82 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.03 -57.11 2.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.189 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.0 t-20 -63.66 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.673 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.591 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.568 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.715 0.293 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.568 ' N ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.6 35.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.305 0.574 . . . . 0.0 110.54 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -133.87 -33.56 1.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.813 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.585 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -121.3 -59.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.306 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.706 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.3 m -39.31 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.84 0.829 . . . . 0.0 111.824 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.565 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.3 tp -93.01 -41.42 12.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.136 -1.393 . . . . 0.0 112.749 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.748 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.5 t-80 -63.14 -11.75 22.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.597 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.408 ' CG ' ' HB1' ' B' ' 24' ' ' ALA . 12.7 t0 -70.17 -45.66 66.24 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.813 -0.554 . . . . 0.0 111.275 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.713 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -68.2 -12.08 60.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.234 0.54 . . . . 0.0 110.272 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.748 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 11.3 tttm -61.29 -48.49 81.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -90.4 -109.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.91 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.685 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 75.5 m-85 -120.51 58.6 0.93 Allowed 'General case' 0 C--O 1.231 0.102 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.58 -9.48 19.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.256 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.685 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -45.87 -43.19 13.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.1 OUTLIER -120.88 0.03 10.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.925 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.4 mt-10 -75.37 12.78 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.25 0.548 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.2 mt-10 -117.81 -8.22 10.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -120.86 -67.2 0.99 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.418 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.519 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.69 -45.05 2.42 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' B' ' 27' ' ' GLU . . . -53.97 -1.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.709 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.0 -47.24 4.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.281 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.38 -10.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.224 0.535 . . . . 0.0 109.694 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' B' ' 32' ' ' ARG . 16.3 mmmt -61.36 -39.13 89.48 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.521 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.26 -34.75 42.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.827 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.893 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.609 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.584 0.231 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.618 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -73.61 0.64 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.78 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.85 -25.87 5.33 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.671 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.82 -42.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.609 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.98 -44.97 0.39 Allowed Glycine 0 CA--C 1.501 -0.797 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -120.26 -4.03 9.98 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.126 177.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.2 OUTLIER -82.97 -43.52 16.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.025 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.763 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.46 -25.6 10.56 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.51 0.672 . . . . 0.0 109.821 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.93 -56.43 2.18 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.703 -178.728 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.8 t-20 -66.01 -54.3 27.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.973 0.416 . . . . 0.0 111.866 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.473 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.659 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.62 0.247 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.488 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.07 33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 111.109 -179.763 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -138.01 -31.02 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.523 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.569 HG22 ' N ' ' B' ' 16' ' ' THR . 0.1 OUTLIER -121.88 -43.81 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.158 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.865 HG22 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -54.86 -71.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.872 0.844 . . . . 0.0 111.759 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.551 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.0 tp -94.4 -43.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 114.05 -1.432 . . . . 0.0 112.946 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.879 ' HA ' ' HE2' ' B' ' 21' ' ' LYS . 1.4 t-80 -55.34 -27.48 47.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.914 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.434 ' CG ' ' HB1' ' B' ' 24' ' ' ALA . 20.8 t0 -74.03 -47.35 37.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.629 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.716 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -58.94 -12.92 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.095 0.474 . . . . 0.0 110.583 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.879 ' HE2' ' HA ' ' B' ' 18' ' ' HIS . 43.6 mttm -62.04 -67.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.813 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.495 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -59.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.155 -1.384 . . . . 0.0 112.372 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.495 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 0.4 OUTLIER -120.29 44.51 2.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -178.62 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.809 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.3 -7.07 2.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.155 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.84 26.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 109.918 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.1 OUTLIER -120.94 13.86 11.46 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.809 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.58 15.59 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' B' ' 26' ' ' PHE . 29.3 mm-40 -121.81 -15.27 7.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.709 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.4 -55.95 1.92 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.667 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.682 ' HG3' ' HE3' ' B' ' 34' ' ' LYS . 6.3 tpp180 -111.15 -65.39 1.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -178.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' B' ' 27' ' ' GLU . . . -49.46 -7.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.738 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -95.46 -47.03 6.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.916 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.64 -12.84 0.82 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.268 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.682 ' HE3' ' HG3' ' B' ' 30' ' ' ARG . 25.9 mmtp -60.12 -41.94 93.7 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.572 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.19 -35.3 55.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.67 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.916 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 1.5 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.208 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.629 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.685 0.278 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.48 -73.96 0.63 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.827 -179.022 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.783 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.15 -25.92 5.2 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.886 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.66 -42.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.629 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.99 -45.02 0.17 Allowed Glycine 0 CA--C 1.501 -0.783 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.416 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.43 -7.61 9.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.039 178.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.595 ' O ' ' HA ' ' B' ' 16' ' ' THR . 3.0 m-85 -83.04 -26.21 31.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.886 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -67.74 -24.05 65.32 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.41 -67.66 0.98 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.54 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -58.22 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.558 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.37 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.603 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.609 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 110.984 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -132.33 -29.84 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.164 179.139 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.577 HD11 ' OXT' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -122.05 -58.95 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.087 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.684 HG22 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -40.9 -61.1 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.662 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 1.1 tp -104.36 -43.29 8.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.818 -176.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.595 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 2.1 t-80 -57.2 -13.27 2.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.13 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 11.4 t0 -75.61 -38.65 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 12.1 ptm180 -65.98 -8.13 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 109.755 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.595 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 7.4 mtpt -72.31 -59.59 2.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.706 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.9 OUTLIER -64.05 -117.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.9 -179.033 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.514 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 1.7 m-85 -120.68 49.19 1.49 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.285 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.48 -9.79 9.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.476 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.85 -55.32 5.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.166 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.461 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.2 OUTLIER -120.42 22.15 11.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 178.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.879 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.44 8.48 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.422 0.629 . . . . 0.0 110.363 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -121.02 -1.75 9.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.443 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -121.03 -63.83 1.3 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.96 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.545 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -120.62 -48.45 2.28 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.765 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -54.22 -2.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.709 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -98.03 -46.42 5.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.822 0.344 . . . . 0.0 110.785 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.852 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.86 -12.06 0.74 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.249 0.547 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.765 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 22.0 mmtp -59.72 -42.12 92.41 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.59 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -76.64 -34.14 58.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.281 -1.781 . . . . 0.0 109.996 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.852 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.241 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.611 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.645 0.26 . . . . 0.0 111.355 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.592 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.7 -74.15 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.802 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.56 -26.92 5.24 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.833 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.43 -43.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.611 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.49 -44.4 0.19 Allowed Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.28 -7.25 9.81 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.278 178.038 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' HB3' HG22 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.03 -42.1 24.45 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.833 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.82 -20.61 6.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.327 0.584 . . . . 0.0 109.761 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.89 -66.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -55.42 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.1 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.603 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.931 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.604 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.354 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.504 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -77.8 32.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 110.932 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.49 -29.71 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.078 179.048 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.629 HG22 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.44 -57.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.065 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.64 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.8 m -43.07 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.849 0.833 . . . . 0.0 111.996 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.579 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.8 tp -91.17 -41.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.135 -1.393 . . . . 0.0 113.027 -177.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 6.6 t-80 -61.03 -16.9 48.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.028 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 20.8 t0 -73.62 -43.99 58.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.716 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.511 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -63.74 -13.44 43.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.425 0.631 . . . . 0.0 109.599 179.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 1.9 mtpt -72.29 -58.8 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.01 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -62.85 -121.4 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.043 -178.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.481 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 1.3 m-85 -121.29 43.67 2.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.628 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.839 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -59.68 -11.36 4.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.499 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -47.1 -52.05 16.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.888 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.8 22.19 11.2 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.839 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.72 14.51 5.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.573 0.701 . . . . 0.0 110.146 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -121.15 -6.59 9.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.662 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.01 -56.96 1.9 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.434 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' B' ' 32' ' ' ARG . 9.9 tpp85 -120.24 -57.16 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.9 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -50.5 -6.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.725 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -96.66 -47.48 5.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.879 0.371 . . . . 0.0 110.243 179.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.913 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -53.77 -13.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.169 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.9 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 2.6 mmtp -59.01 -42.33 89.85 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.595 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -77.49 -34.25 54.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.383 -1.735 . . . . 0.0 109.994 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.913 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.598 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.582 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.76 -74.51 0.61 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.729 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.5 -25.02 5.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.79 ' HB ' HG23 ' B' ' 16' ' ' THR . 1.0 OUTLIER -38.7 -43.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.344 0.403 . . . . 0.0 111.866 -179.335 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.598 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.44 -44.22 0.27 Allowed Glycine 0 CA--C 1.502 -0.725 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -118.2 -8.36 10.64 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.439 177.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -78.36 -42.48 30.32 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.663 ' HB3' HG22 ' A' ' 4' ' ' VAL . 1.3 ptmt -50.36 -33.77 21.66 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.538 0.685 . . . . 0.0 109.756 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.51 -50.21 5.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.283 -179.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.654 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -69.79 -88.2 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.805 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.601 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.51 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.648 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.561 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -76.61 33.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.148 0.499 . . . . 0.0 110.81 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -135.99 -34.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.287 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.629 HG22 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -120.64 -53.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.79 HG23 ' HB ' ' A' ' 4' ' ' VAL . 1.1 m -43.27 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.615 0.721 . . . . 0.0 111.851 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.578 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.5 tp -99.53 -39.69 7.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.623 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.63 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.5 t-80 -60.91 -25.04 66.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.527 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.601 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 50.7 t0 -62.97 -54.07 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.223 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.604 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.13 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.24 0.543 . . . . 0.0 110.373 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.63 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -57.92 -33.16 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.872 179.415 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.419 ' CG ' ' H ' ' B' ' 23' ' ' PHE . 0.4 OUTLIER -118.67 -98.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.132 -178.402 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.724 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 60.2 m-85 -121.52 66.87 0.89 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.937 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.56 -6.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 0.0 110.793 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.724 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.85 -53.4 25.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 28' ' ' GLU . 0.1 OUTLIER -107.28 0.53 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.713 179.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.937 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.7 mt-10 -75.67 15.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.442 0.639 . . . . 0.0 110.295 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.7 mm-40 -121.07 -8.28 9.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.627 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -121.21 -65.55 1.13 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.524 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -120.88 -46.56 2.33 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.503 ' HB2' ' N ' ' B' ' 27' ' ' GLU . . . -55.07 0.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.716 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -105.18 -46.69 4.17 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.848 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.67 -13.06 2.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.341 0.591 . . . . 0.0 109.599 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 4.8 mmmm -60.34 -39.15 86.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.5 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -80.52 -33.68 36.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.007 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.848 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.28 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.607 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.528 0.204 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.605 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.46 -74.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.844 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.08 -25.03 5.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.873 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.27 -41.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.607 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.18 -46.14 0.22 Allowed Glycine 0 CA--C 1.497 -1.043 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.98 -4.03 9.61 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.178 178.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.624 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -85.32 -34.23 21.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.223 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.873 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -60.99 -21.1 63.22 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.53 0.681 . . . . 0.0 109.468 179.083 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.571 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.42 -64.12 1.35 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.312 -178.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.564 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -67.05 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.526 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.475 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.643 ' HB2' ' HG1' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.18 30.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.346 0.593 . . . . 0.0 110.996 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.53 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.12 -30.72 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.816 178.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.601 HG22 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.59 -59.36 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.372 179.446 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.643 ' HG1' ' HB2' ' B' ' 12' ' ' LYS . 1.3 m -39.58 -64.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 112.669 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.563 HG22 ' HG ' ' B' ' 13' ' ' LEU . 2.3 tp -101.78 -40.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.44 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.62 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.3 t-80 -62.41 -14.98 46.32 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.334 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' B' ' 21' ' ' LYS . 12.5 t0 -65.24 -54.47 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.635 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.674 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -63.31 -1.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -93.21 -54.98 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.509 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -66.91 -105.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.566 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.744 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 8.6 m-85 -120.54 45.04 2.31 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.935 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.29 -6.49 9.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.54 0.21 . . . . 0.0 111.181 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.744 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.93 -50.59 34.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.253 179.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.448 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.19 14.63 12.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.935 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.05 9.69 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.328 0.585 . . . . 0.0 109.966 178.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' B' ' 26' ' ' PHE . 10.3 mm-40 -120.99 -0.21 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.7 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -120.47 -71.14 0.75 Allowed 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.627 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.73 -38.47 2.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 -179.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.627 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.98 8.19 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.694 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.08 -46.44 3.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.409 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.839 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.72 -13.64 2.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.455 ' HD3' ' HD3' ' B' ' 30' ' ' ARG . 5.8 mmmm -57.67 -40.51 79.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.578 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.1 m95 -79.35 -32.76 43.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.185 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.839 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.247 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.601 0.239 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.59 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.28 -73.09 0.66 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 111.603 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.69 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.16 -28.13 4.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.38 -46.27 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.535 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.74 -41.69 0.19 Allowed Glycine 0 CA--C 1.502 -0.735 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.368 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.589 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -118.58 -10.8 10.0 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.543 -0.328 . . . . 0.0 110.294 178.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.47 -47.94 13.56 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.642 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HB3' HG21 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -47.37 -26.93 1.43 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.547 0.689 . . . . 0.0 110.232 -179.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.33 -40.74 5.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.675 -178.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.589 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.67 -76.36 0.22 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.223 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.614 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.567 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -76.7 35.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.847 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.92 -33.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 179.207 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.58 HD13 ' O ' ' B' ' 15' ' ' ILE . 0.1 OUTLIER -122.39 -44.44 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.614 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 2.5 m -53.93 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.104 0.954 . . . . 0.0 111.692 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.676 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 2.0 tp -91.09 -41.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.705 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.635 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.4 t-80 -61.81 -10.52 9.27 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.509 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.614 ' C ' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -72.63 -34.37 67.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 ptm180 -74.09 21.82 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.58 0.705 . . . . 0.0 109.437 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.635 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.7 tttm -120.26 -38.58 2.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.641 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.417 ' CG ' ' H ' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -78.24 -102.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.583 -179.154 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.676 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 49.8 m-85 -120.52 36.27 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.974 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.42 -8.79 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.676 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.21 -44.02 53.01 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.802 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.504 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -117.66 7.11 12.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.073 179.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.974 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.53 8.45 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.135 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.9 mm-40 -120.49 -4.93 9.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.483 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.89 -65.85 1.11 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.037 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.546 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.77 -46.81 2.34 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.777 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -53.5 -3.27 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.715 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.41 -46.38 6.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.61 -12.92 0.83 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.186 0.517 . . . . 0.0 110.111 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 15.4 mmtp -59.66 -41.56 90.86 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.607 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -78.23 -33.31 49.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.05 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.849 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.225 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.608 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.641 0.258 . . . . 0.0 111.346 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.618 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.68 -73.49 0.64 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.813 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.73 -27.06 5.14 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.834 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.09 -42.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.405 0.441 . . . . 0.0 112.153 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.1 -45.66 0.28 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.19 -5.53 9.95 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.183 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.672 ' HB3' HG21 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.68 -44.64 18.46 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.834 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.0 ptmt -50.96 -28.36 9.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.629 0.728 . . . . 0.0 110.295 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -104.98 -50.56 3.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.852 -177.336 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.6 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -74.25 -68.43 0.53 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.02 -179.338 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' O ' HD11 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.427 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.659 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.748 0.308 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.601 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.54 33.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.21 0.528 . . . . 0.0 110.733 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -135.6 -33.63 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.206 179.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -121.24 -48.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.052 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.727 HG23 ' HB ' ' A' ' 4' ' ' VAL . 1.4 m -48.65 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.695 0.76 . . . . 0.0 111.419 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.59 HG23 ' N ' ' B' ' 18' ' ' HIS . 2.8 tp -91.91 -41.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.605 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.627 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.7 t-80 -58.08 -28.16 64.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.361 -177.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.581 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.3 t0 -61.58 -61.9 2.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.442 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.729 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -62.53 -8.79 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.327 0.584 . . . . 0.0 109.968 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.8 tttp -83.96 -42.47 16.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.271 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -81.7 -107.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -121.12 40.99 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.95 -12.1 23.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -42.26 59.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.511 ' C ' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.26 3.31 10.86 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.615 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.95 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -73.97 8.4 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.238 0.542 . . . . 0.0 110.602 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' B' ' 26' ' ' PHE . 3.8 mm-40 -120.18 -3.02 10.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -120.64 -69.51 0.84 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.579 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -38.73 2.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.579 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.63 10.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.677 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -111.07 -45.3 3.46 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 110.18 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -58.86 -11.75 3.64 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.562 ' HE2' ' HD2' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -60.41 -39.09 86.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 176.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.561 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.3 m95 -80.12 -32.69 39.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.946 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.833 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.583 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.46 -74.0 0.63 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.585 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.709 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.4 -26.88 5.31 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.859 HG22 ' HB3' ' A' ' 8' ' ' LYS . 1.4 p -38.24 -41.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.58 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.62 -45.14 0.15 Allowed Glycine 0 CA--C 1.501 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.474 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.446 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -120.17 -10.11 9.44 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.227 -0.486 . . . . 0.0 110.042 177.631 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.66 ' O ' ' HA ' ' B' ' 16' ' ' THR . 4.1 m-85 -80.17 -23.14 41.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.131 0.491 . . . . 0.0 112.133 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.859 ' HB3' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.34 -34.09 76.6 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.652 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -103.33 -65.93 0.97 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.205 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.507 ' H ' HH11 ' A' ' 9' ' ' ARG . 1.0 OUTLIER -61.25 -88.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.932 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HB3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.371 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.613 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.56 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.24 32.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.55 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -132.63 -32.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.13 179.13 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.571 HD11 ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -121.5 -57.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.12 179.481 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.731 HG22 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -40.85 -60.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 112.688 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.558 HD11 ' HZ3' ' A' ' 3' ' ' LYS . 1.2 tp -104.82 -43.07 7.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.321 -176.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.715 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -57.72 -12.67 3.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.588 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' B' ' 21' ' ' LYS . 10.0 t0 -71.89 -50.79 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.972 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.818 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -65.65 -3.89 5.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.236 0.541 . . . . 0.0 110.138 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.715 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -78.99 -49.19 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -109.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.661 ' HD1' ' HD3' ' B' ' 25' ' ' LYS . 42.1 m-85 -121.39 46.81 1.97 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.92 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.48 -7.44 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.633 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.661 ' HD3' ' HD1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.48 -51.33 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.519 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.451 ' HD1' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.48 18.18 12.1 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.92 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -77.64 8.29 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.419 0.628 . . . . 0.0 110.681 179.307 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -121.03 0.46 10.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.623 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 -69.45 0.84 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.59 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.81 -40.33 2.65 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.928 -179.131 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.59 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -61.1 8.29 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.675 ' O ' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -110.23 -45.96 3.5 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 120.882 0.372 . . . . 0.0 110.322 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.12 -14.73 1.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' B' ' 32' ' ' ARG . 1.3 mmmt -58.14 -43.36 87.29 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.8 -72.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.142 178.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.929 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.66 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.43 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.611 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.74 -73.45 0.65 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.915 -178.779 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.17 -26.68 5.04 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.59 -42.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.66 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.71 -44.94 0.21 Allowed Glycine 0 CA--C 1.499 -0.913 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.35 -7.23 9.78 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 115.336 -0.432 . . . . 0.0 110.221 178.235 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.7 OUTLIER -80.25 -42.08 23.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.878 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.94 -18.41 4.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.249 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -115.06 -42.29 3.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.909 -178.161 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 3.4 t30 -82.33 -78.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.07 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.632 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.682 0.277 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.486 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -77.27 31.46 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.229 0.537 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -130.67 -31.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.916 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.549 HG23 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -121.7 -58.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.181 179.359 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -40.09 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.859 0.837 . . . . 0.0 112.059 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.585 ' N ' HG22 ' B' ' 16' ' ' THR . 3.2 tp -93.03 -40.93 12.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.811 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.1 t-80 -60.05 -15.05 19.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.35 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 15.8 t0 -70.77 -47.17 60.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.34 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.531 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.57 -9.2 17.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 109.276 178.561 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 31.0 tttt -83.11 -42.77 17.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.041 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -81.77 -110.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -179.273 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.558 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 30.9 m-85 -120.92 48.26 1.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.68 -9.79 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.542 0.211 . . . . 0.0 111.3 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.2 -47.07 46.4 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.608 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.64 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.03 5.92 10.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.944 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -74.45 9.77 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 0.0 110.731 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 26' ' ' PHE . 1.3 mm-40 -120.63 -8.01 9.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.608 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.43 -62.9 1.37 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.658 ' HG2' ' HE2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -120.36 -48.67 2.3 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -178.526 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -53.76 -4.39 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.718 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.27 -46.42 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.55 -11.03 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.658 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 48.3 mmtt -61.84 -41.57 97.97 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.647 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.39 -34.43 54.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.849 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.406 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.56 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.574 0.226 . . . . 0.0 111.433 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.646 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.53 -73.41 0.65 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.723 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.94 -26.85 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.368 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.773 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.55 -42.8 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 O-C-N 123.394 0.434 . . . . 0.0 112.149 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.573 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.47 -43.04 0.23 Allowed Glycine 0 CA--C 1.501 -0.818 0 C-N-CA 120.762 -0.733 . . . . 0.0 111.331 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -120.07 -11.57 9.24 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.357 178.23 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.849 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -75.47 -44.32 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.773 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.3 -25.8 10.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.543 0.687 . . . . 0.0 109.999 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -108.14 -23.69 11.86 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.839 -178.687 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.688 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 12.9 t30 -96.65 -75.14 0.54 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.592 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.723 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.706 0.289 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.662 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.01 31.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.168 0.509 . . . . 0.0 111.116 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -135.52 -33.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.452 179.205 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' B' ' 19' ' ' ASP . 0.1 OUTLIER -121.82 -40.97 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.591 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.849 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.2 m -57.08 -70.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.786 0.803 . . . . 0.0 111.568 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.616 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -95.86 -39.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.301 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.3 t-80 -62.05 -30.85 71.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.198 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.668 ' HB2' HD13 ' B' ' 15' ' ' ILE . 26.8 t70 -65.56 -57.75 7.44 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.29 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -63.96 -13.68 47.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.387 0.613 . . . . 0.0 109.592 178.788 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.1 tttp -71.18 -42.98 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.779 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -89.15 -110.83 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 -179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.614 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 6.7 m-85 -121.37 56.72 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 0.0 111.539 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.64 -7.49 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.339 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.56 -47.75 49.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.63 6.75 10.52 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.052 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -72.22 11.54 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.249 0.547 . . . . 0.0 111.128 179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' B' ' 26' ' ' PHE . 8.6 mm-40 -120.64 -10.89 9.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.04 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.19 -61.48 1.54 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.808 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -119.99 -45.84 2.45 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.706 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.576 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -59.8 6.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.51 -45.04 3.76 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.05 0.452 . . . . 0.0 110.024 179.097 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.07 -14.89 2.92 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 9.6 mmmt -58.41 -42.89 88.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.628 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.6 -72.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.128 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.501 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.657 0.265 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.615 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.63 -73.69 0.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.771 -178.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.06 -27.13 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.536 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.52 -43.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 123.44 0.462 . . . . 0.0 112.106 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.501 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.46 -43.48 0.24 Allowed Glycine 0 CA--C 1.502 -0.778 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -119.81 -8.34 9.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.373 178.325 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.761 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -43.29 20.75 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.826 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.47 -24.37 4.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.52 0.676 . . . . 0.0 109.651 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -103.76 -57.13 2.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.235 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.619 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.9 t-20 -62.73 -85.83 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.449 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.985 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.582 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.59 32.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.259 0.552 . . . . 0.0 110.874 -179.825 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.86 -28.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.968 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.654 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.95 -60.96 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.169 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -39.83 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.98 0.895 . . . . 0.0 112.054 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.601 ' N ' HG22 ' B' ' 16' ' ' THR . 2.7 tp -90.9 -42.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 113.959 -1.473 . . . . 0.0 113.041 -177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.0 t-80 -59.79 -19.48 50.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.444 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 7.6 t0 -64.76 -56.94 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -66.46 -2.73 4.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.433 0.635 . . . . 0.0 109.52 178.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.64 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 21.4 tttp -91.14 -40.79 11.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.228 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -80.77 -106.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.655 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.586 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 56.7 m-85 -121.34 40.37 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.98 -8.85 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.304 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.99 -42.96 60.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.013 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.563 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -114.87 6.2 15.36 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 179.577 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -75.78 10.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.376 0.607 . . . . 0.0 110.18 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.3 mm-40 -121.5 -4.37 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.8 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -120.92 -66.33 1.06 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.525 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.54 -43.7 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.172 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -59.9 8.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.686 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.17 -44.54 3.92 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -59.28 -9.79 2.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.465 0.65 . . . . 0.0 109.379 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.468 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 7.1 mmmt -63.32 -38.36 90.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -81.36 -32.22 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.039 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.893 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.306 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.506 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.646 0.26 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.613 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.41 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.595 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.49 -29.54 4.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -37.73 -44.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.454 0.471 . . . . 0.0 112.262 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.506 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.04 -43.84 0.2 Allowed Glycine 0 CA--C 1.501 -0.821 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.477 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.74 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.48 -9.23 9.47 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.288 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -41.41 23.96 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.682 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.838 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.51 -27.07 9.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.604 0.716 . . . . 0.0 109.701 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -101.77 -42.53 6.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.798 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.74 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -70.79 -80.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.574 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.296 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.476 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.99 31.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.524 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -133.56 -34.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.42 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.91 -47.16 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.682 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -49.79 -64.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.698 0.761 . . . . 0.0 112.274 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.509 ' N ' HG22 ' B' ' 16' ' ' THR . 1.6 tp -106.59 -41.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.584 -176.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.7 t-80 -55.45 -21.52 16.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.7 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.9 t0 -71.45 -35.03 70.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.329 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.537 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -65.92 -10.14 36.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.476 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.7 mtpp -76.03 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -60.62 -116.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.931 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.504 ' HD2' ' HE1' ' B' ' 26' ' ' PHE . 0.8 OUTLIER -120.96 47.81 1.75 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.026 -178.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.975 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -67.71 -5.08 14.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.508 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -54.49 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' B' ' 31' ' ' ALA . 1.5 p90 -121.32 25.58 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.975 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -88.15 15.34 7.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.823 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.48 -2.53 9.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.385 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -121.11 -63.5 1.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.949 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' B' ' 32' ' ' ARG . 1.8 ttm180 -120.5 -47.35 2.34 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -54.73 0.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.689 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.89 -47.72 4.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 120.89 0.376 . . . . 0.0 110.599 179.323 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.29 -11.56 1.85 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.267 0.556 . . . . 0.0 109.717 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.503 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 18.2 mmmt -61.21 -38.92 88.32 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.76 -35.92 37.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.898 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.925 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.368 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.64 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.637 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -74.09 0.62 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.762 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.12 -26.79 5.44 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.268 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.93 -42.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 123.507 0.504 . . . . 0.0 112.15 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.64 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.18 -45.57 0.13 Allowed Glycine 0 CA--C 1.501 -0.801 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.639 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.34 -8.98 9.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.243 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.0 OUTLIER -77.65 -41.7 37.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 111.836 -179.151 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.934 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.11 -24.33 17.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.407 0.622 . . . . 0.0 110.083 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -106.65 -65.41 1.09 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.555 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.639 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -61.19 -88.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.79 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD2' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.267 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.538 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.672 0.272 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.565 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.11 31.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.537 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -130.55 -26.63 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.129 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.588 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.06 -62.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.09 179.426 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -39.69 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.969 0.89 . . . . 0.0 111.99 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.628 ' N ' HG22 ' B' ' 16' ' ' THR . 2.2 tp -83.42 -42.89 17.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.097 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.62 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.6 t-80 -58.18 -18.07 23.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.889 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.7 t70 -72.02 -32.95 67.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.348 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 13.0 mtp85 -66.28 -3.95 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.473 0.654 . . . . 0.0 109.341 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 22.3 mtpp -88.59 -54.92 3.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.619 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -59.44 -111.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.512 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.43 41.5 3.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.988 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.53 3.22 5.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -47.08 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.496 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 7.96 10.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.615 179.1 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.988 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -71.24 6.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.092 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.2 mm-40 -118.66 -4.18 10.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.087 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.69 -68.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.822 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.614 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.36 -39.76 2.64 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.211 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.614 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.51 7.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.708 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.18 -46.64 3.54 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 178.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.56 -12.92 3.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.522 0.677 . . . . 0.0 109.369 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 5.1 mmmm -60.15 -38.47 83.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.672 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.2 m95 -80.69 -31.85 36.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.022 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.323 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.687 0.279 . . . . 0.0 111.395 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.644 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.49 -72.61 0.68 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.86 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.01 -28.68 4.73 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.333 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.12 -44.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 4' ' ' VAL . . . -31.84 -45.95 0.19 Allowed Glycine 0 CA--C 1.5 -0.895 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.4 -6.1 9.82 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.224 -0.488 . . . . 0.0 110.315 178.154 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.2 m-85 -83.39 -38.57 21.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -57.24 -16.06 7.44 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.314 0.578 . . . . 0.0 109.899 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HD2' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -117.46 -40.18 3.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.889 -178.36 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 11.9 t30 -77.25 -72.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.875 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HE ' ' HB2' ' A' ' 11' ' ' ARG . 2.3 tpp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.386 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.56 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.466 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -78.29 32.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.357 0.599 . . . . 0.0 110.434 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.39 -29.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.213 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.507 HG23 ' H ' ' B' ' 16' ' ' THR . 0.6 OUTLIER -121.66 -55.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.417 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.6 m -43.92 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.926 0.869 . . . . 0.0 112.102 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.566 ' N ' HG22 ' B' ' 16' ' ' THR . 3.1 tp -94.11 -40.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.799 -1.546 . . . . 0.0 112.591 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.0 t-80 -58.46 -20.29 43.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.853 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 19.5 t70 -69.82 -48.04 60.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.67 ' NH2' ' HE3' ' A' ' 3' ' ' LYS . 18.1 mtm180 -66.21 -12.49 56.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 109.132 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.708 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.4 ttmm -79.8 -44.38 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.705 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -77.94 -111.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -121.3 47.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -39.82 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.464 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.35 3.17 10.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.9 mt-10 -74.03 8.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 110.24 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' B' ' 26' ' ' PHE . 7.2 mm-40 -120.1 -1.35 10.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -120.7 -75.95 0.59 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.688 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 -36.57 3.13 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.251 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.688 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -57.81 -4.16 0.27 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.705 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER -96.42 -47.89 5.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.13 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.948 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -51.18 -13.14 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.269 0.557 . . . . 0.0 110.398 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.509 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 3.3 mttt -61.27 -45.53 94.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.6 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -74.06 -30.2 62.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.848 -1.523 . . . . 0.0 109.459 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.948 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.153 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.534 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.625 0.25 . . . . 0.0 111.488 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.86 -74.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.767 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.831 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.82 -25.16 5.49 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -38.98 -42.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.534 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.11 -45.2 0.26 Allowed Glycine 0 CA--C 1.502 -0.765 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.0 -6.0 10.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.195 -0.503 . . . . 0.0 110.248 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.73 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -81.5 -42.3 20.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.175 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.35 -19.06 4.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.991 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -110.52 -59.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -62.57 -79.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.621 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.115 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.639 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.25 31.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 111.126 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.58 -30.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.117 178.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.611 HG23 ' H ' ' B' ' 16' ' ' THR . 0.9 OUTLIER -121.25 -58.79 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.93 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -40.71 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.954 0.883 . . . . 0.0 111.851 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.656 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 3.6 tp -89.26 -40.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.053 -1.43 . . . . 0.0 112.954 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -61.13 -17.82 54.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.203 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 16.3 t0 -72.12 -47.28 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 6.6 ptm180 -67.28 -1.91 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.652 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 17.2 tttm -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.6 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 2.1 pt-20 -78.71 -107.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -120.97 37.63 4.27 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.999 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -56.22 -12.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.616 0.246 . . . . 0.0 111.454 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -47.57 -52.37 17.9 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.506 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -113.05 16.26 19.36 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 179.196 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.999 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.41 11.38 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.364 0.602 . . . . 0.0 110.192 178.828 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -120.51 1.78 10.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.675 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -120.46 -71.93 0.71 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.16 -36.56 3.09 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.103 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.598 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -64.1 9.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.702 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.37 -45.55 3.7 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 120.927 0.394 . . . . 0.0 110.21 179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.856 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.31 -12.65 2.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.448 0.642 . . . . 0.0 109.431 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 6.3 mmmt -59.43 -39.72 84.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.62 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -80.59 -32.76 36.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.288 -1.778 . . . . 0.0 110.214 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.856 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.218 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.54 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.421 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.638 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.23 -73.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.704 -178.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.808 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.35 -26.68 4.98 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.16 -42.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -32.64 -44.7 0.2 Allowed Glycine 0 CA--C 1.499 -0.957 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.46 -5.65 9.81 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.232 -0.484 . . . . 0.0 110.383 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.53 -45.22 17.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.171 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.869 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.27 -20.98 3.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.625 . . . . 0.0 110.264 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.625 HH11 ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.47 -44.32 3.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.456 -178.476 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.4 t-20 -80.53 -83.29 0.11 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.203 0.525 . . . . 0.0 111.688 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.356 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.628 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.726 0.298 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.554 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.98 34.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.398 0.618 . . . . 0.0 110.984 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.468 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -133.32 -31.31 1.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.791 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' THR . 0.4 OUTLIER -121.18 -59.47 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.011 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.67 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -39.72 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.899 0.857 . . . . 0.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.63 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -88.53 -40.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.897 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.647 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.3 t-80 -63.45 -21.19 66.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.008 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' B' ' 15' ' ' ILE . 30.3 t70 -61.87 -64.15 1.03 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.063 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.36 -3.82 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.263 0.554 . . . . 0.0 110.08 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.0 ttmm -82.44 -33.21 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.2 pt-20 -98.26 -106.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.795 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.617 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 17.4 m-85 -120.49 46.62 1.95 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.924 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.23 -10.05 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.322 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.83 -53.55 7.36 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 109.935 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' B' ' 31' ' ' ALA . 10.8 p90 -120.9 23.13 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.396 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.924 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -89.65 23.05 2.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.307 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -122.08 -19.79 6.48 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.338 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -121.97 -40.57 2.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.238 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 8.4 tpp85 -117.72 -73.05 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.86 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -49.5 -7.52 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.101 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.729 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.55 -46.25 7.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.879 0.371 . . . . 0.0 110.679 179.354 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.885 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.26 -11.35 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.071 0.462 . . . . 0.0 110.502 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.86 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 3.4 mmtp -63.28 -40.35 97.13 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.592 ' CE3' ' HB2' ' B' ' 34' ' ' LYS . 1.4 m95 -77.81 -34.9 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.725 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.885 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.217 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.586 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.569 0.223 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.634 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.42 -73.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 111.792 -178.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.87 -27.3 5.04 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -178.568 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.796 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.37 -44.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.586 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.28 -43.49 0.22 Allowed Glycine 0 CA--C 1.502 -0.726 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -119.69 -8.69 9.88 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.179 178.214 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -78.98 -46.22 18.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.819 -179.258 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.796 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.3 ptmt -47.2 -32.84 4.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.581 0.705 . . . . 0.0 109.804 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.56 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -95.84 -60.07 1.72 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.295 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.478 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 19.2 t30 -64.5 -91.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.963 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.478 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.409 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.678 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.734 0.302 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.542 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.55 33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.273 0.558 . . . . 0.0 110.943 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.39 -33.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.19 178.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.591 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -120.83 -49.97 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.221 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.678 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.7 m -48.11 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.855 0.836 . . . . 0.0 111.375 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.635 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -90.28 -42.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.708 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.665 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.4 t-80 -57.24 -22.71 43.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.091 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 16.8 t0 -66.03 -59.8 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.324 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.718 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.04 -7.54 12.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.291 0.567 . . . . 0.0 109.664 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.665 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.6 tttm -77.87 -40.53 39.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.6 OUTLIER -88.19 -108.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.57 -179.249 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.654 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 27.9 m-85 -120.72 45.69 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 111.365 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.68 -3.98 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.774 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.654 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -46.64 -52.57 13.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.87 0.367 . . . . 0.0 110.417 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.493 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.87 9.75 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.771 179.188 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -75.34 10.31 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -120.1 -3.48 10.09 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -120.6 -69.43 0.84 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.07 -42.78 2.47 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.173 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.529 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -55.29 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.699 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.66 -48.67 3.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.746 0.307 . . . . 0.0 110.487 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.869 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.28 -12.79 1.75 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.224 0.535 . . . . 0.0 109.662 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 5.7 mmmt -58.9 -40.73 85.34 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.665 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -77.75 -35.28 51.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.064 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.869 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.541 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.572 0.225 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.651 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.51 -74.19 0.62 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.851 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.09 -25.86 5.24 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.289 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.73 -42.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.541 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.16 -46.58 0.15 Allowed Glycine 0 CA--C 1.497 -1.071 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.26 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -121.19 -4.4 9.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.151 -0.525 . . . . 0.0 110.162 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.4 m-85 -83.71 -36.48 23.66 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.277 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.4 pttt -58.25 -22.09 50.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.576 0.703 . . . . 0.0 109.706 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -111.44 -60.7 1.81 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.319 -178.731 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -68.82 -92.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.931 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.507 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.642 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.527 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.07 32.34 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.337 0.589 . . . . 0.0 110.849 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -129.58 -31.14 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.763 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.501 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.27 -59.4 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.135 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.642 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 2.0 m -39.2 -65.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.552 0.692 . . . . 0.0 112.619 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 2.7 tp -101.64 -40.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.572 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.8 t-80 -61.57 -14.25 28.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.478 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 13.2 t0 -67.04 -48.21 69.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.1 -0.375 . . . . 0.0 111.835 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.22 -4.26 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.442 0.639 . . . . 0.0 109.584 178.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 20.3 ttmt -93.56 -45.06 7.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.217 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -72.0 -109.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.714 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -120.22 46.58 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.107 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.92 -0.68 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.509 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -37.07 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.538 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.52 -3.34 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.6 mt-10 -74.34 11.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 109.841 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.1 mm-40 -120.47 -7.58 9.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -120.63 -73.43 0.65 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.697 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -39.48 2.75 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.11 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.697 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -55.94 -8.1 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.697 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.19 -49.46 5.73 Favored 'General case' 0 CA--C 1.509 -0.605 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.338 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.914 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -49.9 -14.65 0.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.167 0.508 . . . . 0.0 110.509 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.531 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 1.9 mttm -60.61 -46.29 90.8 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.541 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -71.85 -34.54 69.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.349 178.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.914 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.17 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.602 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.571 0.224 . . . . 0.0 111.442 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.43 -74.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.827 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.3 -24.9 5.34 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.99 -40.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.34 -48.28 0.21 Allowed Glycine 0 CA--C 1.498 -1.027 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 2.0 m-85 -121.51 -3.58 9.35 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.333 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.608 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -83.53 -32.95 25.61 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.811 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.902 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.31 -17.33 58.45 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.431 0.634 . . . . 0.0 109.329 178.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -119.23 -65.81 1.13 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.306 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.551 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 2.0 t-20 -62.76 -84.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.454 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.705 0.288 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.65 31.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.274 0.559 . . . . 0.0 111.152 -179.86 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.543 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.24 -33.12 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.787 178.541 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -120.95 -55.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.199 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.712 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 2.7 m -40.64 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.711 0.767 . . . . 0.0 112.194 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.563 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.8 tp -99.13 -39.76 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.309 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.711 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 9.5 t-80 -62.53 -16.74 57.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.01 -0.996 . . . . 0.0 112.725 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.509 ' HB2' HD12 ' B' ' 15' ' ' ILE . 51.0 t0 -69.54 -48.54 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.922 -0.486 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.0 -12.97 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.214 0.53 . . . . 0.0 110.089 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.711 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -55.28 -28.74 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.287 179.441 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -120.66 -105.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.688 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 82.9 m-85 -121.12 66.9 0.87 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.647 0.261 . . . . 0.0 111.66 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.96 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -71.39 -11.34 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.281 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.688 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -47.42 -52.85 15.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.607 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.556 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.37 20.81 11.86 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.96 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.3 5.34 10.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.81 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -120.67 3.34 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.43 -70.83 0.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.646 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.707 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.81 -38.78 2.69 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.381 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.707 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.65 8.41 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.694 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -104.75 -45.47 4.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.874 0.368 . . . . 0.0 110.516 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.803 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.28 -11.79 0.85 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 109.797 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' B' ' 30' ' ' ARG . 26.4 mmtp -60.99 -41.48 96.56 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.631 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.8 m95 -78.41 -30.79 47.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.308 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.803 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.681 0.276 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.625 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.15 -73.58 0.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 111.534 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.39 -27.36 4.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.4 p -38.57 -44.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.507 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.87 -42.6 0.25 Allowed Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.05 -7.55 9.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.438 178.201 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -77.88 -46.95 19.89 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 2.4 ptmt -47.65 -33.16 6.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.65 0.738 . . . . 0.0 109.82 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.03 -57.11 2.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.189 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.0 t-20 -63.66 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.673 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.591 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.581 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.715 0.293 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.6 35.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.305 0.574 . . . . 0.0 110.54 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -133.87 -33.56 1.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.813 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.626 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.3 -59.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.306 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -39.31 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.84 0.829 . . . . 0.0 111.824 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.671 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -93.01 -41.42 12.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.136 -1.393 . . . . 0.0 112.749 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.756 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.5 t-80 -63.14 -11.75 22.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.597 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 12.7 t0 -70.17 -45.66 66.24 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.813 -0.554 . . . . 0.0 111.275 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -68.2 -12.08 60.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.234 0.54 . . . . 0.0 110.272 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.756 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 11.3 tttm -61.29 -48.49 81.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -90.4 -109.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.91 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.705 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 75.5 m-85 -120.51 58.6 0.93 Allowed 'General case' 0 C--O 1.231 0.102 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.954 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.58 -9.48 19.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.256 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.705 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -45.87 -43.19 13.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.483 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.88 0.03 10.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.954 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.4 mt-10 -75.37 12.78 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.25 0.548 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.2 mt-10 -117.81 -8.22 10.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -120.86 -67.2 0.99 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.418 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.69 -45.05 2.42 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.742 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -53.97 -1.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.0 -47.24 4.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.281 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.926 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.38 -10.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.224 0.535 . . . . 0.0 109.694 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 16.3 mmmt -61.36 -39.13 89.48 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.26 -34.75 42.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.827 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.926 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.585 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.584 0.231 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.658 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -73.61 0.64 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.817 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.85 -25.87 5.33 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.671 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.779 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.82 -42.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.585 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.98 -44.97 0.39 Allowed Glycine 0 CA--C 1.501 -0.797 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -120.26 -4.03 9.98 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.126 177.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.9 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.2 OUTLIER -82.97 -43.52 16.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.025 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.779 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.46 -25.6 10.56 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.51 0.672 . . . . 0.0 109.821 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.93 -56.43 2.18 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.703 -178.728 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.8 t-20 -66.01 -54.3 27.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.973 0.416 . . . . 0.0 111.866 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.473 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.62 0.247 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.487 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.07 33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 111.109 -179.763 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -138.01 -31.02 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.523 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.484 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.88 -43.81 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.158 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.9 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -54.86 -71.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.872 0.844 . . . . 0.0 111.759 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.59 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -94.4 -43.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 114.05 -1.432 . . . . 0.0 112.946 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.868 ' HA ' ' HE2' ' B' ' 21' ' ' LYS . 1.4 t-80 -55.34 -27.48 47.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.914 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 20.8 t0 -74.03 -47.35 37.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.629 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -58.94 -12.92 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.095 0.474 . . . . 0.0 110.583 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' B' ' 18' ' ' HIS . 43.6 mttm -62.04 -67.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.813 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -59.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.155 -1.384 . . . . 0.0 112.372 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.434 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 0.4 OUTLIER -120.29 44.51 2.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -178.62 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.857 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.3 -7.07 2.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.155 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.84 26.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 109.918 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.94 13.86 11.46 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.857 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.58 15.59 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -121.81 -15.27 7.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.709 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.4 -55.95 1.92 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.667 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.709 ' HG3' ' HE3' ' B' ' 34' ' ' LYS . 6.3 tpp180 -111.15 -65.39 1.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -178.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -49.46 -7.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.735 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -95.46 -47.03 6.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.64 -12.84 0.82 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.268 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.709 ' HE3' ' HG3' ' B' ' 30' ' ' ARG . 25.9 mmtp -60.12 -41.94 93.7 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.617 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.19 -35.3 55.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.67 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 1.5 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.208 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.581 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.685 0.278 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.629 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.48 -73.96 0.63 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.827 -179.022 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.811 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.15 -25.92 5.2 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.472 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.66 -42.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.581 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.99 -45.02 0.17 Allowed Glycine 0 CA--C 1.501 -0.783 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.416 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.43 -7.61 9.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.039 178.01 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' B' ' 16' ' ' THR . 3.0 m-85 -83.04 -26.21 31.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.848 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -67.74 -24.05 65.32 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.41 -67.66 0.98 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.54 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 2.2 t-20 -58.22 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.558 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.617 HH22 ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.37 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.64 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.566 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 110.984 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -132.33 -29.84 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.164 179.139 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.528 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -122.05 -58.95 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.087 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.2 m -40.9 -61.1 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.667 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 1.1 tp -104.36 -43.29 8.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.818 -176.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.62 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 2.1 t-80 -57.2 -13.27 2.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.13 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 11.4 t0 -75.61 -38.65 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 12.1 ptm180 -65.98 -8.13 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 109.755 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 7.4 mtpt -72.31 -59.59 2.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.706 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 0.9 OUTLIER -64.05 -117.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.9 -179.033 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 1.7 m-85 -120.68 49.19 1.49 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.285 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.48 -9.79 9.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.476 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.85 -55.32 5.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.166 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.661 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.2 OUTLIER -120.42 22.15 11.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 178.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.905 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.44 8.48 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.422 0.629 . . . . 0.0 110.363 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -121.02 -1.75 9.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.443 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -121.03 -63.83 1.3 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.96 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.556 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -120.62 -48.45 2.28 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.056 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.782 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -54.22 -2.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -98.03 -46.42 5.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.822 0.344 . . . . 0.0 110.785 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.86 -12.06 0.74 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.249 0.547 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.782 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 22.0 mmtp -59.72 -42.12 92.41 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.635 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -76.64 -34.14 58.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.281 -1.781 . . . . 0.0 109.996 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.879 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.241 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.645 0.26 . . . . 0.0 111.355 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.7 -74.15 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.82 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.56 -26.92 5.24 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.505 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.43 -43.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.58 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.49 -44.4 0.19 Allowed Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.28 -7.25 9.81 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.278 178.038 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.698 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.03 -42.1 24.45 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.86 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.82 -20.61 6.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.327 0.584 . . . . 0.0 109.761 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.565 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -109.89 -66.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -55.42 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.1 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.931 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.635 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.354 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.8 32.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 110.932 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.49 -29.71 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.078 179.048 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.567 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.44 -57.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.065 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -43.07 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.849 0.833 . . . . 0.0 111.996 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.596 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.17 -41.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.135 -1.393 . . . . 0.0 113.027 -177.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 6.6 t-80 -61.03 -16.9 48.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.028 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 20.8 t0 -73.62 -43.99 58.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.716 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -63.74 -13.44 43.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.425 0.631 . . . . 0.0 109.599 179.148 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 1.9 mtpt -72.29 -58.8 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.01 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -62.85 -121.4 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.043 -178.681 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.418 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 1.3 m-85 -121.29 43.67 2.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.628 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -59.68 -11.36 4.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.499 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -47.1 -52.05 16.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.888 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.8 22.19 11.2 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.72 14.51 5.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.573 0.701 . . . . 0.0 110.146 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -121.15 -6.59 9.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.662 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.01 -56.96 1.9 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.434 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' B' ' 32' ' ' ARG . 9.9 tpp85 -120.24 -57.16 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.928 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -50.5 -6.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.72 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -96.66 -47.48 5.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.879 0.371 . . . . 0.0 110.243 179.184 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -53.77 -13.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.169 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.928 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 2.6 mmtp -59.01 -42.33 89.85 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.642 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -77.49 -34.25 54.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.383 -1.735 . . . . 0.0 109.994 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.517 ' HE2' ' CG1' ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.76 -74.51 0.61 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.748 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.5 -25.02 5.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.739 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.0 OUTLIER -38.7 -43.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.344 0.403 . . . . 0.0 111.866 -179.335 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.44 -44.22 0.27 Allowed Glycine 0 CA--C 1.502 -0.725 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -118.2 -8.36 10.64 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.439 177.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.756 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -78.36 -42.48 30.32 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.3 ptmt -50.36 -33.77 21.66 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.538 0.685 . . . . 0.0 109.756 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.51 -50.21 5.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.283 -179.28 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.683 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -69.79 -88.2 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.805 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.51 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.694 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.553 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -76.61 33.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.148 0.499 . . . . 0.0 110.81 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -135.99 -34.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.287 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.583 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -120.64 -53.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.756 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.1 m -43.27 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.615 0.721 . . . . 0.0 111.851 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.648 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -99.53 -39.69 7.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.623 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.622 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.5 t-80 -60.91 -25.04 66.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.527 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 50.7 t0 -62.97 -54.07 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.223 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.13 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.24 0.543 . . . . 0.0 110.373 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -57.92 -33.16 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.872 179.415 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.67 -98.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.132 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.74 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 60.2 m-85 -121.52 66.87 0.89 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.56 -6.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 0.0 110.793 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.85 -53.4 25.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.477 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -107.28 0.53 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.713 179.447 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.7 mt-10 -75.67 15.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.442 0.639 . . . . 0.0 110.295 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.7 mm-40 -121.07 -8.28 9.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.627 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -121.21 -65.55 1.13 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -120.88 -46.56 2.33 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -55.07 0.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.714 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -105.18 -46.69 4.17 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.875 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.67 -13.06 2.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.341 0.591 . . . . 0.0 109.599 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 4.8 mmmm -60.34 -39.15 86.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.54 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -80.52 -33.68 36.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.007 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.875 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.28 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.636 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.528 0.204 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.663 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.837 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.08 -25.03 5.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.354 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.27 -41.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.636 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.18 -46.14 0.22 Allowed Glycine 0 CA--C 1.497 -1.043 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.98 -4.03 9.61 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.178 178.053 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -85.32 -34.23 21.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.223 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -60.99 -21.1 63.22 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.53 0.681 . . . . 0.0 109.468 179.083 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.42 -64.12 1.35 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.312 -178.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.566 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -67.05 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.475 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.602 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.543 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.18 30.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.346 0.593 . . . . 0.0 110.996 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.531 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.12 -30.72 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.816 178.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.515 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.59 -59.36 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.372 179.446 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.663 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 1.3 m -39.58 -64.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 112.669 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.543 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.3 tp -101.78 -40.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.44 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.605 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.3 t-80 -62.41 -14.98 46.32 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.334 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 12.5 t0 -65.24 -54.47 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.635 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.584 ' HA ' ' CB ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -63.31 -1.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -93.21 -54.98 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.509 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -66.91 -105.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.566 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.763 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 8.6 m-85 -120.54 45.04 2.31 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.29 -6.49 9.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.54 0.21 . . . . 0.0 111.181 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.763 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.93 -50.59 34.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.253 179.609 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.537 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.19 14.63 12.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.025 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.95 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.05 9.69 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.328 0.585 . . . . 0.0 109.966 178.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -120.99 -0.21 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.7 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -120.47 -71.14 0.75 Allowed 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.619 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.73 -38.47 2.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 -179.504 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.619 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.98 8.19 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.08 -46.44 3.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.409 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.72 -13.64 2.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HD3' ' HD3' ' B' ' 30' ' ' ARG . 5.8 mmmm -57.67 -40.51 79.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.623 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.1 m95 -79.35 -32.76 43.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.185 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.867 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.247 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.529 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.601 0.239 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.64 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.28 -73.09 0.66 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 111.603 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.16 -28.13 4.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.743 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.38 -46.27 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.74 -41.69 0.19 Allowed Glycine 0 CA--C 1.502 -0.735 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.368 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -118.58 -10.8 10.0 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.543 -0.328 . . . . 0.0 110.294 178.483 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.808 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.47 -47.94 13.56 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.642 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -47.37 -26.93 1.43 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.547 0.689 . . . . 0.0 110.232 -179.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.562 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -105.33 -40.74 5.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.675 -178.68 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.6 t-20 -79.67 -76.36 0.22 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.223 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.581 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -76.7 35.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.847 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.92 -33.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 179.207 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.458 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -122.39 -44.44 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.808 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -53.93 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.104 0.954 . . . . 0.0 111.692 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.696 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 2.0 tp -91.09 -41.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.705 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.638 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.4 t-80 -61.81 -10.52 9.27 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.509 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.607 ' C ' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -72.63 -34.37 67.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 ptm180 -74.09 21.82 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.58 0.705 . . . . 0.0 109.437 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.7 tttm -120.26 -38.58 2.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.641 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -78.24 -102.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.583 -179.154 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.7 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 49.8 m-85 -120.52 36.27 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.42 -8.79 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.7 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.21 -44.02 53.01 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.802 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.627 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -117.66 7.11 12.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.073 179.47 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.53 8.45 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.135 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.9 mm-40 -120.49 -4.93 9.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.483 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.89 -65.85 1.11 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.037 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.77 -46.81 2.34 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.801 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -53.5 -3.27 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.711 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.41 -46.38 6.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.61 -12.92 0.83 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.186 0.517 . . . . 0.0 110.111 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.801 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 15.4 mmtp -59.66 -41.56 90.86 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -78.23 -33.31 49.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.05 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.225 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.542 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.641 0.258 . . . . 0.0 111.346 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.666 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.68 -73.49 0.64 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.828 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.73 -27.06 5.14 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.09 -42.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.405 0.441 . . . . 0.0 112.153 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.59 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.1 -45.66 0.28 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.19 -5.53 9.95 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.183 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.721 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.68 -44.64 18.46 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.0 ptmt -50.96 -28.36 9.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.629 0.728 . . . . 0.0 110.295 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -104.98 -50.56 3.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.852 -177.336 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -74.25 -68.43 0.53 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.02 -179.338 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.427 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.748 0.308 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.6 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.54 33.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.21 0.528 . . . . 0.0 110.733 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -135.6 -33.63 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.206 179.307 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.574 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.7 OUTLIER -121.24 -48.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.052 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.721 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.4 m -48.65 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.695 0.76 . . . . 0.0 111.419 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.647 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.91 -41.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.605 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.625 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.7 t-80 -58.08 -28.16 64.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.361 -177.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.3 t0 -61.58 -61.9 2.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.442 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.669 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -62.53 -8.79 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.327 0.584 . . . . 0.0 109.968 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.8 tttp -83.96 -42.47 16.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.271 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -81.7 -107.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -121.12 40.99 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.982 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.95 -12.1 23.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -42.26 59.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.534 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.26 3.31 10.86 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.615 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.982 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -73.97 8.4 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.238 0.542 . . . . 0.0 110.602 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' B' ' 26' ' ' PHE . 3.8 mm-40 -120.18 -3.02 10.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -120.64 -69.51 0.84 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.577 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -38.73 2.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.577 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.63 10.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -111.07 -45.3 3.46 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 110.18 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.858 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -58.86 -11.75 3.64 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HE2' ' HD2' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -60.41 -39.09 86.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 176.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.3 m95 -80.12 -32.69 39.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.946 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.858 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.587 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.65 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.0 0.63 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.585 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.4 -26.88 5.31 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.065 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.4 p -38.24 -41.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.587 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.62 -45.14 0.15 Allowed Glycine 0 CA--C 1.501 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.474 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -120.17 -10.11 9.44 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.227 -0.486 . . . . 0.0 110.042 177.631 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.68 ' O ' ' HA ' ' B' ' 16' ' ' THR . 4.1 m-85 -80.17 -23.14 41.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.131 0.491 . . . . 0.0 112.133 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.34 -34.09 76.6 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.685 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -103.33 -65.93 0.97 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.205 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.559 ' H ' HH11 ' A' ' 9' ' ' ARG . 1.0 OUTLIER -61.25 -88.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.932 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.572 ' NH2' ' HB3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.371 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.646 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.56 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.24 32.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.55 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -132.63 -32.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.13 179.13 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.44 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -121.5 -57.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.12 179.481 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.2 m -40.85 -60.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 112.688 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 1.2 tp -104.82 -43.07 7.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.321 -176.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.722 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -57.72 -12.67 3.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.588 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 10.0 t0 -71.89 -50.79 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.972 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -65.65 -3.89 5.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.236 0.541 . . . . 0.0 110.138 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.722 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -78.99 -49.19 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -109.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.659 ' HD1' ' HD3' ' B' ' 25' ' ' LYS . 42.1 m-85 -121.39 46.81 1.97 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.48 -7.44 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.633 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.659 ' HD3' ' HD1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.48 -51.33 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.519 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.544 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.48 18.18 12.1 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -77.64 8.29 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.419 0.628 . . . . 0.0 110.681 179.307 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -121.03 0.46 10.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.623 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 -69.45 0.84 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.587 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.81 -40.33 2.65 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.928 -179.131 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -61.1 8.29 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.675 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -110.23 -45.96 3.5 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 120.882 0.372 . . . . 0.0 110.322 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.12 -14.73 1.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 1.3 mmmt -58.14 -43.36 87.29 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' TRP . . . . . 0.654 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.8 -72.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.142 178.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.929 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.66 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.43 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.611 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.74 -73.45 0.65 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.915 -178.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.17 -26.68 5.04 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.59 -42.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.66 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.71 -44.94 0.21 Allowed Glycine 0 CA--C 1.499 -0.913 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.35 -7.23 9.78 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 115.336 -0.432 . . . . 0.0 110.221 178.235 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.7 OUTLIER -80.25 -42.08 23.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.878 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.94 -18.41 4.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.249 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -115.06 -42.29 3.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.909 -178.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 3.4 t30 -82.33 -78.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.07 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.632 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.682 0.277 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.486 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -77.27 31.46 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.229 0.537 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -130.67 -31.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.916 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.549 HG23 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -121.7 -58.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.181 179.359 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -40.09 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.859 0.837 . . . . 0.0 112.059 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.585 ' N ' HG22 ' B' ' 16' ' ' THR . 3.2 tp -93.03 -40.93 12.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.811 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.1 t-80 -60.05 -15.05 19.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.35 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 15.8 t0 -70.77 -47.17 60.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.34 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.531 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.57 -9.2 17.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 109.276 178.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 31.0 tttt -83.11 -42.77 17.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.041 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -81.77 -110.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -179.273 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.558 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 30.9 m-85 -120.92 48.26 1.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.68 -9.79 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.542 0.211 . . . . 0.0 111.3 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.2 -47.07 46.4 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.608 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.64 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.03 5.92 10.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.944 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -74.45 9.77 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 0.0 110.731 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 26' ' ' PHE . 1.3 mm-40 -120.63 -8.01 9.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.608 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.43 -62.9 1.37 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.658 ' HG2' ' HE2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -120.36 -48.67 2.3 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -178.526 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -53.76 -4.39 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.718 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.27 -46.42 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.55 -11.03 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.658 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 48.3 mmtt -61.84 -41.57 97.97 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.647 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.39 -34.43 54.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.849 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.406 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.56 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.574 0.226 . . . . 0.0 111.433 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.646 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.53 -73.41 0.65 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.723 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.94 -26.85 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.368 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.773 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.55 -42.8 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 O-C-N 123.394 0.434 . . . . 0.0 112.149 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.47 -43.04 0.23 Allowed Glycine 0 CA--C 1.501 -0.818 0 C-N-CA 120.762 -0.733 . . . . 0.0 111.331 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -120.07 -11.57 9.24 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.357 178.23 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.849 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -75.47 -44.32 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.773 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.3 -25.8 10.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.543 0.687 . . . . 0.0 109.999 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -108.14 -23.69 11.86 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.839 -178.687 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.688 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 12.9 t30 -96.65 -75.14 0.54 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.592 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.723 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.706 0.289 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.662 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.01 31.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.168 0.509 . . . . 0.0 111.116 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -135.52 -33.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.452 179.205 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' B' ' 19' ' ' ASP . 0.1 OUTLIER -121.82 -40.97 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.591 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.849 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.2 m -57.08 -70.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.786 0.803 . . . . 0.0 111.568 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.616 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -95.86 -39.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.301 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.3 t-80 -62.05 -30.85 71.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.198 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.668 ' HB2' HD13 ' B' ' 15' ' ' ILE . 26.8 t70 -65.56 -57.75 7.44 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.29 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -63.96 -13.68 47.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.387 0.613 . . . . 0.0 109.592 178.788 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.1 tttp -71.18 -42.98 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.779 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -89.15 -110.83 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 -179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.614 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 6.7 m-85 -121.37 56.72 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 0.0 111.539 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.64 -7.49 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.339 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.56 -47.75 49.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.63 6.75 10.52 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.052 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -72.22 11.54 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.249 0.547 . . . . 0.0 111.128 179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' B' ' 26' ' ' PHE . 8.6 mm-40 -120.64 -10.89 9.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.04 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.19 -61.48 1.54 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.808 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -119.99 -45.84 2.45 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.706 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.576 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -59.8 6.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.51 -45.04 3.76 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.05 0.452 . . . . 0.0 110.024 179.097 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.07 -14.89 2.92 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 9.6 mmmt -58.41 -42.89 88.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.628 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.6 -72.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.128 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.657 0.265 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.615 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.63 -73.69 0.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.771 -178.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.06 -27.13 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.536 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.52 -43.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 123.44 0.462 . . . . 0.0 112.106 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.501 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.46 -43.48 0.24 Allowed Glycine 0 CA--C 1.502 -0.778 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -119.81 -8.34 9.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.373 178.325 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.761 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -43.29 20.75 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.826 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.47 -24.37 4.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.52 0.676 . . . . 0.0 109.651 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -103.76 -57.13 2.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.235 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.619 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.9 t-20 -62.73 -85.83 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.449 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.985 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.582 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.59 32.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.259 0.552 . . . . 0.0 110.874 -179.825 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.86 -28.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.968 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.654 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.95 -60.96 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.169 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -39.83 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.98 0.895 . . . . 0.0 112.054 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.601 ' N ' HG22 ' B' ' 16' ' ' THR . 2.7 tp -90.9 -42.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 113.959 -1.473 . . . . 0.0 113.041 -177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.0 t-80 -59.79 -19.48 50.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.444 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 7.6 t0 -64.76 -56.94 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -66.46 -2.73 4.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.433 0.635 . . . . 0.0 109.52 178.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.64 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 21.4 tttp -91.14 -40.79 11.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.228 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -80.77 -106.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.655 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.586 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 56.7 m-85 -121.34 40.37 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.98 -8.85 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.304 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.99 -42.96 60.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.013 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.563 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -114.87 6.2 15.36 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 179.577 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -75.78 10.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.376 0.607 . . . . 0.0 110.18 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.3 mm-40 -121.5 -4.37 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.8 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -120.92 -66.33 1.06 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.525 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.54 -43.7 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.172 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -59.9 8.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.686 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.17 -44.54 3.92 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -59.28 -9.79 2.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.465 0.65 . . . . 0.0 109.379 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.468 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 7.1 mmmt -63.32 -38.36 90.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -81.36 -32.22 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.039 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.893 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.306 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.646 0.26 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.613 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.41 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.595 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.49 -29.54 4.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -37.73 -44.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.454 0.471 . . . . 0.0 112.262 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.04 -43.84 0.2 Allowed Glycine 0 CA--C 1.501 -0.821 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.477 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.74 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.48 -9.23 9.47 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.288 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -41.41 23.96 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.682 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.838 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.51 -27.07 9.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.604 0.716 . . . . 0.0 109.701 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -101.77 -42.53 6.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.798 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.74 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -70.79 -80.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.574 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.296 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.476 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.99 31.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.524 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -133.56 -34.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.42 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.91 -47.16 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.682 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -49.79 -64.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.698 0.761 . . . . 0.0 112.274 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.509 ' N ' HG22 ' B' ' 16' ' ' THR . 1.6 tp -106.59 -41.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.584 -176.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.7 t-80 -55.45 -21.52 16.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.7 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.9 t0 -71.45 -35.03 70.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.329 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.537 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -65.92 -10.14 36.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.476 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.7 mtpp -76.03 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -60.62 -116.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.931 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.504 ' HD2' ' HE1' ' B' ' 26' ' ' PHE . 0.8 OUTLIER -120.96 47.81 1.75 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.026 -178.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.975 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -67.71 -5.08 14.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.508 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -54.49 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' B' ' 31' ' ' ALA . 1.5 p90 -121.32 25.58 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.975 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -88.15 15.34 7.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.823 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.48 -2.53 9.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.385 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -121.11 -63.5 1.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.949 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' B' ' 32' ' ' ARG . 1.8 ttm180 -120.5 -47.35 2.34 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -54.73 0.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.689 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.89 -47.72 4.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 120.89 0.376 . . . . 0.0 110.599 179.323 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.29 -11.56 1.85 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.267 0.556 . . . . 0.0 109.717 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.503 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 18.2 mmmt -61.21 -38.92 88.32 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.76 -35.92 37.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.898 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.925 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.368 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.64 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.637 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -74.09 0.62 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.762 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.12 -26.79 5.44 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.268 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.93 -42.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 123.507 0.504 . . . . 0.0 112.15 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.64 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.18 -45.57 0.13 Allowed Glycine 0 CA--C 1.501 -0.801 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.639 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.34 -8.98 9.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.243 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.0 OUTLIER -77.65 -41.7 37.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 111.836 -179.151 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.934 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.11 -24.33 17.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.407 0.622 . . . . 0.0 110.083 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -106.65 -65.41 1.09 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.555 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.639 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -61.19 -88.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.79 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD2' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.267 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.538 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.672 0.272 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.565 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.11 31.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.537 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -130.55 -26.63 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.129 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.588 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.06 -62.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.09 179.426 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -39.69 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.969 0.89 . . . . 0.0 111.99 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.628 ' N ' HG22 ' B' ' 16' ' ' THR . 2.2 tp -83.42 -42.89 17.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.097 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.62 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.6 t-80 -58.18 -18.07 23.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.889 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.7 t70 -72.02 -32.95 67.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.348 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 13.0 mtp85 -66.28 -3.95 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.473 0.654 . . . . 0.0 109.341 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 22.3 mtpp -88.59 -54.92 3.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.619 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -59.44 -111.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.512 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.43 41.5 3.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.988 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.53 3.22 5.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -47.08 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.496 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 7.96 10.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.615 179.1 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.988 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -71.24 6.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.092 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.2 mm-40 -118.66 -4.18 10.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.087 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.69 -68.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.822 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.614 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.36 -39.76 2.64 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.211 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.614 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.51 7.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.708 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.18 -46.64 3.54 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 178.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.56 -12.92 3.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.522 0.677 . . . . 0.0 109.369 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 5.1 mmmm -60.15 -38.47 83.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.672 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.2 m95 -80.69 -31.85 36.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.022 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.323 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.687 0.279 . . . . 0.0 111.395 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.644 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.49 -72.61 0.68 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.86 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.01 -28.68 4.73 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.333 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.12 -44.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 4' ' ' VAL . . . -31.84 -45.95 0.19 Allowed Glycine 0 CA--C 1.5 -0.895 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.4 -6.1 9.82 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.224 -0.488 . . . . 0.0 110.315 178.154 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.2 m-85 -83.39 -38.57 21.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -57.24 -16.06 7.44 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.314 0.578 . . . . 0.0 109.899 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HD2' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -117.46 -40.18 3.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.889 -178.36 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 11.9 t30 -77.25 -72.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.875 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HE ' ' HB2' ' A' ' 11' ' ' ARG . 2.3 tpp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.386 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.56 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.466 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -78.29 32.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.357 0.599 . . . . 0.0 110.434 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.39 -29.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.213 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.507 HG23 ' H ' ' B' ' 16' ' ' THR . 0.6 OUTLIER -121.66 -55.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.417 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.6 m -43.92 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.926 0.869 . . . . 0.0 112.102 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.566 ' N ' HG22 ' B' ' 16' ' ' THR . 3.1 tp -94.11 -40.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.799 -1.546 . . . . 0.0 112.591 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.0 t-80 -58.46 -20.29 43.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.853 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 19.5 t70 -69.82 -48.04 60.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.67 ' NH2' ' HE3' ' A' ' 3' ' ' LYS . 18.1 mtm180 -66.21 -12.49 56.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 109.132 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.708 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.4 ttmm -79.8 -44.38 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.705 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -77.94 -111.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -121.3 47.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -39.82 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.464 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.35 3.17 10.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.9 mt-10 -74.03 8.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 110.24 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' B' ' 26' ' ' PHE . 7.2 mm-40 -120.1 -1.35 10.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -120.7 -75.95 0.59 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.688 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 -36.57 3.13 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.251 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.688 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -57.81 -4.16 0.27 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.705 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER -96.42 -47.89 5.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.13 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.948 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -51.18 -13.14 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.269 0.557 . . . . 0.0 110.398 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.509 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 3.3 mttt -61.27 -45.53 94.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.6 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -74.06 -30.2 62.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.848 -1.523 . . . . 0.0 109.459 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.948 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.153 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.534 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.625 0.25 . . . . 0.0 111.488 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.86 -74.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.831 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.82 -25.16 5.49 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -38.98 -42.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.534 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.11 -45.2 0.26 Allowed Glycine 0 CA--C 1.502 -0.765 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.0 -6.0 10.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.195 -0.503 . . . . 0.0 110.248 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.73 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -81.5 -42.3 20.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.175 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.35 -19.06 4.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.991 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -110.52 -59.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -62.57 -79.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.621 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.115 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.639 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.25 31.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 111.126 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.58 -30.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.117 178.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.611 HG23 ' H ' ' B' ' 16' ' ' THR . 0.9 OUTLIER -121.25 -58.79 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.93 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -40.71 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.954 0.883 . . . . 0.0 111.851 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.656 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 3.6 tp -89.26 -40.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.053 -1.43 . . . . 0.0 112.954 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -61.13 -17.82 54.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.203 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 16.3 t0 -72.12 -47.28 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 6.6 ptm180 -67.28 -1.91 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.652 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 17.2 tttm -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.6 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 2.1 pt-20 -78.71 -107.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -120.97 37.63 4.27 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.999 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -56.22 -12.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.616 0.246 . . . . 0.0 111.454 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -47.57 -52.37 17.9 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.506 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -113.05 16.26 19.36 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 179.196 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.999 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.41 11.38 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.364 0.602 . . . . 0.0 110.192 178.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -120.51 1.78 10.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.675 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -120.46 -71.93 0.71 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.16 -36.56 3.09 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.103 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.598 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -64.1 9.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.702 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.37 -45.55 3.7 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 120.927 0.394 . . . . 0.0 110.21 179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.856 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.31 -12.65 2.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.448 0.642 . . . . 0.0 109.431 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 6.3 mmmt -59.43 -39.72 84.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.62 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -80.59 -32.76 36.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.288 -1.778 . . . . 0.0 110.214 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.856 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.218 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.54 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.421 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.638 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.23 -73.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.704 -178.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.808 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.35 -26.68 4.98 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.16 -42.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -32.64 -44.7 0.2 Allowed Glycine 0 CA--C 1.499 -0.957 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.46 -5.65 9.81 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.232 -0.484 . . . . 0.0 110.383 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.53 -45.22 17.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.171 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.869 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.27 -20.98 3.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.625 . . . . 0.0 110.264 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.625 HH11 ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.47 -44.32 3.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.456 -178.476 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.4 t-20 -80.53 -83.29 0.11 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.203 0.525 . . . . 0.0 111.688 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.356 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.628 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.726 0.298 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.554 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.98 34.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.398 0.618 . . . . 0.0 110.984 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.468 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -133.32 -31.31 1.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.791 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' THR . 0.4 OUTLIER -121.18 -59.47 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.011 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.67 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -39.72 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.899 0.857 . . . . 0.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.63 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -88.53 -40.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.897 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.647 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.3 t-80 -63.45 -21.19 66.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.008 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' B' ' 15' ' ' ILE . 30.3 t70 -61.87 -64.15 1.03 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.063 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.36 -3.82 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.263 0.554 . . . . 0.0 110.08 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.0 ttmm -82.44 -33.21 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.2 pt-20 -98.26 -106.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.795 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.617 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 17.4 m-85 -120.49 46.62 1.95 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.924 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.23 -10.05 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.322 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.83 -53.55 7.36 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 109.935 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' B' ' 31' ' ' ALA . 10.8 p90 -120.9 23.13 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.396 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.924 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -89.65 23.05 2.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.307 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -122.08 -19.79 6.48 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.338 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -121.97 -40.57 2.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.238 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 8.4 tpp85 -117.72 -73.05 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.86 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -49.5 -7.52 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.101 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.729 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.55 -46.25 7.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.879 0.371 . . . . 0.0 110.679 179.354 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.885 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.26 -11.35 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.071 0.462 . . . . 0.0 110.502 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.86 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 3.4 mmtp -63.28 -40.35 97.13 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.592 ' CE3' ' HB2' ' B' ' 34' ' ' LYS . 1.4 m95 -77.81 -34.9 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.725 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.885 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.217 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.586 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.569 0.223 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.634 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.42 -73.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 111.792 -178.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.87 -27.3 5.04 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -178.568 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.796 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.37 -44.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.586 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.28 -43.49 0.22 Allowed Glycine 0 CA--C 1.502 -0.726 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -119.69 -8.69 9.88 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.179 178.214 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -78.98 -46.22 18.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.819 -179.258 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.796 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.3 ptmt -47.2 -32.84 4.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.581 0.705 . . . . 0.0 109.804 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.56 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -95.84 -60.07 1.72 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.295 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.478 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 19.2 t30 -64.5 -91.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.963 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.478 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.409 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.678 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.734 0.302 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.542 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.55 33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.273 0.558 . . . . 0.0 110.943 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.39 -33.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.19 178.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.591 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -120.83 -49.97 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.221 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.678 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.7 m -48.11 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.855 0.836 . . . . 0.0 111.375 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.635 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -90.28 -42.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.708 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.665 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.4 t-80 -57.24 -22.71 43.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.091 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 16.8 t0 -66.03 -59.8 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.324 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.718 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.04 -7.54 12.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.291 0.567 . . . . 0.0 109.664 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.665 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.6 tttm -77.87 -40.53 39.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.6 OUTLIER -88.19 -108.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.57 -179.249 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.654 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 27.9 m-85 -120.72 45.69 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 111.365 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.68 -3.98 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.774 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.654 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -46.64 -52.57 13.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.87 0.367 . . . . 0.0 110.417 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.493 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.87 9.75 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.771 179.188 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -75.34 10.31 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -120.1 -3.48 10.09 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -120.6 -69.43 0.84 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.07 -42.78 2.47 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.173 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.529 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -55.29 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.699 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.66 -48.67 3.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.746 0.307 . . . . 0.0 110.487 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.869 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.28 -12.79 1.75 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.224 0.535 . . . . 0.0 109.662 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 5.7 mmmt -58.9 -40.73 85.34 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.665 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -77.75 -35.28 51.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.064 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.869 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.572 0.225 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.651 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.51 -74.19 0.62 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.851 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.09 -25.86 5.24 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.289 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.73 -42.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.541 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.16 -46.58 0.15 Allowed Glycine 0 CA--C 1.497 -1.071 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.26 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -121.19 -4.4 9.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.151 -0.525 . . . . 0.0 110.162 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.4 m-85 -83.71 -36.48 23.66 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.277 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.4 pttt -58.25 -22.09 50.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.576 0.703 . . . . 0.0 109.706 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -111.44 -60.7 1.81 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.319 -178.731 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -68.82 -92.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.931 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.507 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.642 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.527 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.07 32.34 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.337 0.589 . . . . 0.0 110.849 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -129.58 -31.14 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.763 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.501 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.27 -59.4 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.135 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.642 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 2.0 m -39.2 -65.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.552 0.692 . . . . 0.0 112.619 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 2.7 tp -101.64 -40.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.572 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.8 t-80 -61.57 -14.25 28.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.478 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 13.2 t0 -67.04 -48.21 69.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.1 -0.375 . . . . 0.0 111.835 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.22 -4.26 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.442 0.639 . . . . 0.0 109.584 178.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 20.3 ttmt -93.56 -45.06 7.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.217 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -72.0 -109.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.714 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -120.22 46.58 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.107 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.92 -0.68 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.509 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -37.07 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.538 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.52 -3.34 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.6 mt-10 -74.34 11.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 109.841 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.1 mm-40 -120.47 -7.58 9.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -120.63 -73.43 0.65 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.697 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -39.48 2.75 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.11 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.697 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -55.94 -8.1 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.697 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.19 -49.46 5.73 Favored 'General case' 0 CA--C 1.509 -0.605 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.338 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.914 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -49.9 -14.65 0.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.167 0.508 . . . . 0.0 110.509 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.531 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 1.9 mttm -60.61 -46.29 90.8 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.541 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -71.85 -34.54 69.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.349 178.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.914 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.17 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.602 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.571 0.224 . . . . 0.0 111.442 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.43 -74.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.827 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.3 -24.9 5.34 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.99 -40.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.34 -48.28 0.21 Allowed Glycine 0 CA--C 1.498 -1.027 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 2.0 m-85 -121.51 -3.58 9.35 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.333 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.608 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -83.53 -32.95 25.61 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.811 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.902 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.31 -17.33 58.45 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.431 0.634 . . . . 0.0 109.329 178.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -119.23 -65.81 1.13 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.306 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.551 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 2.0 t-20 -62.76 -84.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.454 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.705 0.288 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.65 31.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.274 0.559 . . . . 0.0 111.152 -179.86 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.543 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.24 -33.12 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.787 178.541 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -120.95 -55.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.199 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.712 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 2.7 m -40.64 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.711 0.767 . . . . 0.0 112.194 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.563 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.8 tp -99.13 -39.76 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.309 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.711 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 9.5 t-80 -62.53 -16.74 57.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.01 -0.996 . . . . 0.0 112.725 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.509 ' HB2' HD12 ' B' ' 15' ' ' ILE . 51.0 t0 -69.54 -48.54 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.922 -0.486 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.0 -12.97 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.214 0.53 . . . . 0.0 110.089 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.711 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -55.28 -28.74 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.287 179.441 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -120.66 -105.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.688 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 82.9 m-85 -121.12 66.9 0.87 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.647 0.261 . . . . 0.0 111.66 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.96 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -71.39 -11.34 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.281 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.688 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -47.42 -52.85 15.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.607 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.556 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.37 20.81 11.86 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.96 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.3 5.34 10.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.81 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -120.67 3.34 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.43 -70.83 0.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.646 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.707 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.81 -38.78 2.69 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.381 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.707 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.65 8.41 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.694 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -104.75 -45.47 4.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.874 0.368 . . . . 0.0 110.516 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.803 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.28 -11.79 0.85 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 109.797 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' B' ' 30' ' ' ARG . 26.4 mmtp -60.99 -41.48 96.56 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.631 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.8 m95 -78.41 -30.79 47.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.308 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.803 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.681 0.276 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.625 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.15 -73.58 0.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 111.534 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.39 -27.36 4.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.4 p -38.57 -44.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.507 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.87 -42.6 0.25 Allowed Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.05 -7.55 9.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.438 178.201 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -77.88 -46.95 19.89 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 2.4 ptmt -47.65 -33.16 6.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.65 0.738 . . . . 0.0 109.82 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.03 -57.11 2.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.189 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.0 t-20 -63.66 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.673 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.591 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.581 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.715 0.293 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.6 35.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.305 0.574 . . . . 0.0 110.54 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -133.87 -33.56 1.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.813 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.626 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.3 -59.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.306 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -39.31 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.84 0.829 . . . . 0.0 111.824 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.671 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -93.01 -41.42 12.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.136 -1.393 . . . . 0.0 112.749 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.756 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.5 t-80 -63.14 -11.75 22.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.597 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 12.7 t0 -70.17 -45.66 66.24 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.813 -0.554 . . . . 0.0 111.275 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -68.2 -12.08 60.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.234 0.54 . . . . 0.0 110.272 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.756 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 11.3 tttm -61.29 -48.49 81.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -90.4 -109.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.91 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.705 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 75.5 m-85 -120.51 58.6 0.93 Allowed 'General case' 0 C--O 1.231 0.102 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.954 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.58 -9.48 19.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.256 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.705 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -45.87 -43.19 13.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.483 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.88 0.03 10.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.954 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.4 mt-10 -75.37 12.78 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.25 0.548 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.2 mt-10 -117.81 -8.22 10.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -120.86 -67.2 0.99 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.418 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.69 -45.05 2.42 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -53.97 -1.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.0 -47.24 4.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.281 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.926 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.38 -10.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.224 0.535 . . . . 0.0 109.694 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 16.3 mmmt -61.36 -39.13 89.48 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.26 -34.75 42.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.827 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.926 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.585 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.584 0.231 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.658 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -73.61 0.64 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.817 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.85 -25.87 5.33 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.671 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.779 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.82 -42.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.585 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.98 -44.97 0.39 Allowed Glycine 0 CA--C 1.501 -0.797 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -120.26 -4.03 9.98 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.126 177.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.9 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.2 OUTLIER -82.97 -43.52 16.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.025 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.779 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.46 -25.6 10.56 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.51 0.672 . . . . 0.0 109.821 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.93 -56.43 2.18 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.703 -178.728 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.8 t-20 -66.01 -54.3 27.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.973 0.416 . . . . 0.0 111.866 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.473 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.62 0.247 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.487 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.07 33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 111.109 -179.763 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -138.01 -31.02 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.523 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.484 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.88 -43.81 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.158 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.9 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -54.86 -71.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.872 0.844 . . . . 0.0 111.759 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.59 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -94.4 -43.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 114.05 -1.432 . . . . 0.0 112.946 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.868 ' HA ' ' HE2' ' B' ' 21' ' ' LYS . 1.4 t-80 -55.34 -27.48 47.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.914 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 20.8 t0 -74.03 -47.35 37.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.629 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -58.94 -12.92 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.095 0.474 . . . . 0.0 110.583 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' B' ' 18' ' ' HIS . 43.6 mttm -62.04 -67.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.813 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -59.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.155 -1.384 . . . . 0.0 112.372 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.434 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 0.4 OUTLIER -120.29 44.51 2.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -178.62 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.857 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.3 -7.07 2.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.155 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.84 26.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 109.918 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.94 13.86 11.46 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.857 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.58 15.59 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -121.81 -15.27 7.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.709 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.4 -55.95 1.92 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.667 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.709 ' HG3' ' HE3' ' B' ' 34' ' ' LYS . 6.3 tpp180 -111.15 -65.39 1.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -178.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -49.46 -7.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.735 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -95.46 -47.03 6.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.64 -12.84 0.82 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.268 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.709 ' HE3' ' HG3' ' B' ' 30' ' ' ARG . 25.9 mmtp -60.12 -41.94 93.7 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.617 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.19 -35.3 55.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.67 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 1.5 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.208 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.581 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.685 0.278 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.629 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.48 -73.96 0.63 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.827 -179.022 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.811 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.15 -25.92 5.2 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.472 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.66 -42.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.99 -45.02 0.17 Allowed Glycine 0 CA--C 1.501 -0.783 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.416 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.43 -7.61 9.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.039 178.01 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' B' ' 16' ' ' THR . 3.0 m-85 -83.04 -26.21 31.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.848 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -67.74 -24.05 65.32 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.41 -67.66 0.98 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.54 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 2.2 t-20 -58.22 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.558 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.617 HH22 ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.37 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.64 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.566 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 110.984 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -132.33 -29.84 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.164 179.139 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.528 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -122.05 -58.95 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.087 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.2 m -40.9 -61.1 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.667 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 1.1 tp -104.36 -43.29 8.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.818 -176.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.62 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 2.1 t-80 -57.2 -13.27 2.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.13 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 11.4 t0 -75.61 -38.65 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 12.1 ptm180 -65.98 -8.13 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 109.755 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 7.4 mtpt -72.31 -59.59 2.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.706 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 0.9 OUTLIER -64.05 -117.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.9 -179.033 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 1.7 m-85 -120.68 49.19 1.49 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.285 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.48 -9.79 9.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.476 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.85 -55.32 5.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.166 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.661 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.2 OUTLIER -120.42 22.15 11.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 178.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.905 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.44 8.48 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.422 0.629 . . . . 0.0 110.363 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -121.02 -1.75 9.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.443 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -121.03 -63.83 1.3 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.96 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.556 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -120.62 -48.45 2.28 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.056 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.782 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -54.22 -2.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -98.03 -46.42 5.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.822 0.344 . . . . 0.0 110.785 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.86 -12.06 0.74 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.249 0.547 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.782 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 22.0 mmtp -59.72 -42.12 92.41 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.635 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -76.64 -34.14 58.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.281 -1.781 . . . . 0.0 109.996 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.879 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.241 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.645 0.26 . . . . 0.0 111.355 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.7 -74.15 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.82 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.56 -26.92 5.24 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.505 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.43 -43.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.58 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.49 -44.4 0.19 Allowed Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.28 -7.25 9.81 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.278 178.038 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.698 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.03 -42.1 24.45 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.86 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.82 -20.61 6.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.327 0.584 . . . . 0.0 109.761 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.565 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -109.89 -66.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -55.42 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.1 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.931 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.635 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.354 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.8 32.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 110.932 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.49 -29.71 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.078 179.048 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.567 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.44 -57.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.065 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -43.07 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.849 0.833 . . . . 0.0 111.996 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.596 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.17 -41.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.135 -1.393 . . . . 0.0 113.027 -177.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 6.6 t-80 -61.03 -16.9 48.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.028 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 20.8 t0 -73.62 -43.99 58.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.716 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -63.74 -13.44 43.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.425 0.631 . . . . 0.0 109.599 179.148 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 1.9 mtpt -72.29 -58.8 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.01 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -62.85 -121.4 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.043 -178.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.418 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 1.3 m-85 -121.29 43.67 2.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.628 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -59.68 -11.36 4.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.499 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -47.1 -52.05 16.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.888 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.8 22.19 11.2 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.72 14.51 5.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.573 0.701 . . . . 0.0 110.146 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -121.15 -6.59 9.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.662 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.01 -56.96 1.9 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.434 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' B' ' 32' ' ' ARG . 9.9 tpp85 -120.24 -57.16 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.928 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -50.5 -6.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.72 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -96.66 -47.48 5.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.879 0.371 . . . . 0.0 110.243 179.184 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -53.77 -13.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.169 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.928 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 2.6 mmtp -59.01 -42.33 89.85 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.642 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -77.49 -34.25 54.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.383 -1.735 . . . . 0.0 109.994 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HE2' ' CG1' ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.76 -74.51 0.61 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.748 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.5 -25.02 5.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.739 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.0 OUTLIER -38.7 -43.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.344 0.403 . . . . 0.0 111.866 -179.335 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.44 -44.22 0.27 Allowed Glycine 0 CA--C 1.502 -0.725 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -118.2 -8.36 10.64 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.439 177.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.756 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -78.36 -42.48 30.32 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.3 ptmt -50.36 -33.77 21.66 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.538 0.685 . . . . 0.0 109.756 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.51 -50.21 5.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.283 -179.28 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.683 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -69.79 -88.2 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.805 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.51 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.694 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.553 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -76.61 33.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.148 0.499 . . . . 0.0 110.81 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -135.99 -34.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.287 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.583 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -120.64 -53.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.756 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.1 m -43.27 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.615 0.721 . . . . 0.0 111.851 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.648 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -99.53 -39.69 7.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.623 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.622 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.5 t-80 -60.91 -25.04 66.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.527 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 50.7 t0 -62.97 -54.07 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.223 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.13 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.24 0.543 . . . . 0.0 110.373 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -57.92 -33.16 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.872 179.415 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.67 -98.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.132 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.74 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 60.2 m-85 -121.52 66.87 0.89 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.56 -6.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 0.0 110.793 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.85 -53.4 25.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.477 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -107.28 0.53 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.713 179.447 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.7 mt-10 -75.67 15.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.442 0.639 . . . . 0.0 110.295 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.7 mm-40 -121.07 -8.28 9.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.627 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -121.21 -65.55 1.13 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -120.88 -46.56 2.33 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -55.07 0.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.714 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -105.18 -46.69 4.17 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.875 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.67 -13.06 2.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.341 0.591 . . . . 0.0 109.599 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 4.8 mmmm -60.34 -39.15 86.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.54 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -80.52 -33.68 36.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.007 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.875 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.28 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.636 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.528 0.204 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.663 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.837 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.08 -25.03 5.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.354 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.27 -41.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.636 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.18 -46.14 0.22 Allowed Glycine 0 CA--C 1.497 -1.043 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.98 -4.03 9.61 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.178 178.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -85.32 -34.23 21.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.223 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -60.99 -21.1 63.22 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.53 0.681 . . . . 0.0 109.468 179.083 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.42 -64.12 1.35 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.312 -178.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.566 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -67.05 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.475 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.602 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.543 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.18 30.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.346 0.593 . . . . 0.0 110.996 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.531 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.12 -30.72 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.816 178.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.515 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.59 -59.36 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.372 179.446 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.663 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 1.3 m -39.58 -64.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 112.669 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.543 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.3 tp -101.78 -40.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.44 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.605 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.3 t-80 -62.41 -14.98 46.32 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.334 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 12.5 t0 -65.24 -54.47 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.635 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.584 ' HA ' ' CB ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -63.31 -1.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -93.21 -54.98 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.509 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -66.91 -105.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.566 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.763 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 8.6 m-85 -120.54 45.04 2.31 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.29 -6.49 9.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.54 0.21 . . . . 0.0 111.181 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.763 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.93 -50.59 34.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.253 179.609 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.537 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.19 14.63 12.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.025 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.95 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.05 9.69 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.328 0.585 . . . . 0.0 109.966 178.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -120.99 -0.21 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.7 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -120.47 -71.14 0.75 Allowed 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.619 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.73 -38.47 2.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 -179.504 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.619 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.98 8.19 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.08 -46.44 3.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.409 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.72 -13.64 2.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HD3' ' HD3' ' B' ' 30' ' ' ARG . 5.8 mmmm -57.67 -40.51 79.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.623 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.1 m95 -79.35 -32.76 43.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.185 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.867 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.247 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.529 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.601 0.239 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.64 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.28 -73.09 0.66 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 111.603 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.16 -28.13 4.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.743 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.38 -46.27 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.74 -41.69 0.19 Allowed Glycine 0 CA--C 1.502 -0.735 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.368 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -118.58 -10.8 10.0 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.543 -0.328 . . . . 0.0 110.294 178.483 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.808 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.47 -47.94 13.56 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.642 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -47.37 -26.93 1.43 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.547 0.689 . . . . 0.0 110.232 -179.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.562 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -105.33 -40.74 5.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.675 -178.68 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.6 t-20 -79.67 -76.36 0.22 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.223 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.581 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -76.7 35.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.847 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.92 -33.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 179.207 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.458 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -122.39 -44.44 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.808 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -53.93 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.104 0.954 . . . . 0.0 111.692 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.696 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 2.0 tp -91.09 -41.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.705 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.638 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.4 t-80 -61.81 -10.52 9.27 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.509 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.607 ' C ' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -72.63 -34.37 67.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 ptm180 -74.09 21.82 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.58 0.705 . . . . 0.0 109.437 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.7 tttm -120.26 -38.58 2.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.641 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -78.24 -102.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.583 -179.154 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.7 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 49.8 m-85 -120.52 36.27 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.42 -8.79 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.7 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.21 -44.02 53.01 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.802 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.627 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -117.66 7.11 12.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.073 179.47 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.53 8.45 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.135 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.9 mm-40 -120.49 -4.93 9.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.483 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.89 -65.85 1.11 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.037 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.77 -46.81 2.34 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.801 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -53.5 -3.27 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.711 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.41 -46.38 6.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.61 -12.92 0.83 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.186 0.517 . . . . 0.0 110.111 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.801 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 15.4 mmtp -59.66 -41.56 90.86 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -78.23 -33.31 49.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.05 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.225 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.542 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.641 0.258 . . . . 0.0 111.346 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.666 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.68 -73.49 0.64 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.828 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.73 -27.06 5.14 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.09 -42.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.405 0.441 . . . . 0.0 112.153 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.59 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.1 -45.66 0.28 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.19 -5.53 9.95 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.183 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.721 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.68 -44.64 18.46 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.0 ptmt -50.96 -28.36 9.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.629 0.728 . . . . 0.0 110.295 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -104.98 -50.56 3.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.852 -177.336 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -74.25 -68.43 0.53 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.02 -179.338 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.427 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.748 0.308 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.6 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.54 33.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.21 0.528 . . . . 0.0 110.733 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -135.6 -33.63 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.206 179.307 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.574 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.7 OUTLIER -121.24 -48.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.052 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.721 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.4 m -48.65 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.695 0.76 . . . . 0.0 111.419 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.647 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.91 -41.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.605 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.625 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.7 t-80 -58.08 -28.16 64.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.361 -177.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.3 t0 -61.58 -61.9 2.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.442 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.669 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -62.53 -8.79 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.327 0.584 . . . . 0.0 109.968 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.8 tttp -83.96 -42.47 16.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.271 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -81.7 -107.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -121.12 40.99 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.982 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.95 -12.1 23.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -42.26 59.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.534 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.26 3.31 10.86 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.615 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.982 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -73.97 8.4 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.238 0.542 . . . . 0.0 110.602 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' B' ' 26' ' ' PHE . 3.8 mm-40 -120.18 -3.02 10.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -120.64 -69.51 0.84 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.577 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -38.73 2.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.577 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.63 10.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -111.07 -45.3 3.46 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 110.18 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.858 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -58.86 -11.75 3.64 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HE2' ' HD2' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -60.41 -39.09 86.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 176.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.3 m95 -80.12 -32.69 39.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.946 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.858 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.587 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.65 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.0 0.63 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.585 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.4 -26.88 5.31 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.065 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.4 p -38.24 -41.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.587 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.62 -45.14 0.15 Allowed Glycine 0 CA--C 1.501 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.474 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -120.17 -10.11 9.44 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.227 -0.486 . . . . 0.0 110.042 177.631 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.68 ' O ' ' HA ' ' B' ' 16' ' ' THR . 4.1 m-85 -80.17 -23.14 41.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.131 0.491 . . . . 0.0 112.133 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.34 -34.09 76.6 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.685 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -103.33 -65.93 0.97 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.205 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.559 ' H ' HH11 ' A' ' 9' ' ' ARG . 1.0 OUTLIER -61.25 -88.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.932 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' NH2' ' HB3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.371 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.646 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.56 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.24 32.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.55 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -132.63 -32.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.13 179.13 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.44 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -121.5 -57.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.12 179.481 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.2 m -40.85 -60.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 112.688 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 1.2 tp -104.82 -43.07 7.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.321 -176.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.722 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -57.72 -12.67 3.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.588 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 10.0 t0 -71.89 -50.79 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.972 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -65.65 -3.89 5.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.236 0.541 . . . . 0.0 110.138 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.722 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -78.99 -49.19 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -109.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.659 ' HD1' ' HD3' ' B' ' 25' ' ' LYS . 42.1 m-85 -121.39 46.81 1.97 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.48 -7.44 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.633 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.659 ' HD3' ' HD1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.48 -51.33 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.519 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.544 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.48 18.18 12.1 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -77.64 8.29 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.419 0.628 . . . . 0.0 110.681 179.307 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -121.03 0.46 10.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.623 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 -69.45 0.84 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.587 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.81 -40.33 2.65 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.928 -179.131 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -61.1 8.29 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.675 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -110.23 -45.96 3.5 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 120.882 0.372 . . . . 0.0 110.322 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.12 -14.73 1.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 1.3 mmmt -58.14 -43.36 87.29 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.654 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.8 -72.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.142 178.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.929 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.66 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.43 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.611 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.74 -73.45 0.65 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.915 -178.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.17 -26.68 5.04 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.59 -42.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.66 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.71 -44.94 0.21 Allowed Glycine 0 CA--C 1.499 -0.913 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.35 -7.23 9.78 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 115.336 -0.432 . . . . 0.0 110.221 178.235 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.7 OUTLIER -80.25 -42.08 23.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.878 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.94 -18.41 4.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.249 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -115.06 -42.29 3.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.909 -178.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 3.4 t30 -82.33 -78.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.07 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.632 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.682 0.277 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.486 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -77.27 31.46 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.229 0.537 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -130.67 -31.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.916 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.549 HG23 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -121.7 -58.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.181 179.359 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -40.09 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.859 0.837 . . . . 0.0 112.059 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.585 ' N ' HG22 ' B' ' 16' ' ' THR . 3.2 tp -93.03 -40.93 12.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.811 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.1 t-80 -60.05 -15.05 19.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.35 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 15.8 t0 -70.77 -47.17 60.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.34 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.531 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.57 -9.2 17.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 109.276 178.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 31.0 tttt -83.11 -42.77 17.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.041 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -81.77 -110.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -179.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.558 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 30.9 m-85 -120.92 48.26 1.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.68 -9.79 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.542 0.211 . . . . 0.0 111.3 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.2 -47.07 46.4 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.608 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.64 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.03 5.92 10.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.944 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -74.45 9.77 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 0.0 110.731 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 26' ' ' PHE . 1.3 mm-40 -120.63 -8.01 9.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.608 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.43 -62.9 1.37 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.658 ' HG2' ' HE2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -120.36 -48.67 2.3 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -178.526 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -53.76 -4.39 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.718 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.27 -46.42 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.55 -11.03 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.658 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 48.3 mmtt -61.84 -41.57 97.97 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.647 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.39 -34.43 54.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.849 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.406 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.56 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.574 0.226 . . . . 0.0 111.433 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.646 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.53 -73.41 0.65 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.723 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.94 -26.85 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.368 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.773 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.55 -42.8 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 O-C-N 123.394 0.434 . . . . 0.0 112.149 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.573 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.47 -43.04 0.23 Allowed Glycine 0 CA--C 1.501 -0.818 0 C-N-CA 120.762 -0.733 . . . . 0.0 111.331 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -120.07 -11.57 9.24 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.357 178.23 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.849 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -75.47 -44.32 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.773 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.3 -25.8 10.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.543 0.687 . . . . 0.0 109.999 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -108.14 -23.69 11.86 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.839 -178.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.688 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -96.65 -75.14 0.54 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.592 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.723 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.706 0.289 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.662 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.01 31.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.168 0.509 . . . . 0.0 111.116 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -135.52 -33.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.452 179.205 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' B' ' 19' ' ' ASP . 0.1 OUTLIER -121.82 -40.97 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.591 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.849 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.2 m -57.08 -70.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.786 0.803 . . . . 0.0 111.568 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.616 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -95.86 -39.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.301 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.3 t-80 -62.05 -30.85 71.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.198 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.668 ' HB2' HD13 ' B' ' 15' ' ' ILE . 26.8 t70 -65.56 -57.75 7.44 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.29 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -63.96 -13.68 47.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.387 0.613 . . . . 0.0 109.592 178.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.1 tttp -71.18 -42.98 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.779 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -89.15 -110.83 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 -179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.614 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 6.7 m-85 -121.37 56.72 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 0.0 111.539 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.64 -7.49 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.339 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.56 -47.75 49.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.63 6.75 10.52 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.052 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -72.22 11.54 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.249 0.547 . . . . 0.0 111.128 179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' B' ' 26' ' ' PHE . 8.6 mm-40 -120.64 -10.89 9.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.04 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.19 -61.48 1.54 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.808 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -119.99 -45.84 2.45 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.576 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -59.8 6.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.51 -45.04 3.76 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.05 0.452 . . . . 0.0 110.024 179.097 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.07 -14.89 2.92 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 9.6 mmmt -58.41 -42.89 88.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.628 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.6 -72.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.128 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.501 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.657 0.265 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.615 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.63 -73.69 0.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.771 -178.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.06 -27.13 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.536 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.52 -43.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 123.44 0.462 . . . . 0.0 112.106 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.501 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.46 -43.48 0.24 Allowed Glycine 0 CA--C 1.502 -0.778 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -119.81 -8.34 9.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.373 178.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.761 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -43.29 20.75 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.826 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.47 -24.37 4.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.52 0.676 . . . . 0.0 109.651 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -103.76 -57.13 2.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.235 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.619 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.9 t-20 -62.73 -85.83 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.449 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.985 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.582 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.59 32.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.259 0.552 . . . . 0.0 110.874 -179.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.86 -28.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.968 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.654 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.95 -60.96 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.169 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -39.83 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.98 0.895 . . . . 0.0 112.054 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.601 ' N ' HG22 ' B' ' 16' ' ' THR . 2.7 tp -90.9 -42.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 113.959 -1.473 . . . . 0.0 113.041 -177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.0 t-80 -59.79 -19.48 50.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.444 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 7.6 t0 -64.76 -56.94 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -66.46 -2.73 4.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.433 0.635 . . . . 0.0 109.52 178.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.64 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 21.4 tttp -91.14 -40.79 11.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.228 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -80.77 -106.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.655 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.586 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 56.7 m-85 -121.34 40.37 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.98 -8.85 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.304 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.99 -42.96 60.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.013 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.563 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -114.87 6.2 15.36 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 179.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -75.78 10.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.376 0.607 . . . . 0.0 110.18 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.3 mm-40 -121.5 -4.37 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.8 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -120.92 -66.33 1.06 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.525 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.54 -43.7 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.172 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -59.9 8.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.686 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.17 -44.54 3.92 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -59.28 -9.79 2.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.465 0.65 . . . . 0.0 109.379 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.468 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 7.1 mmmt -63.32 -38.36 90.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -81.36 -32.22 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.039 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.893 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.306 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.506 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.646 0.26 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.613 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.41 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.595 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.49 -29.54 4.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -37.73 -44.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.454 0.471 . . . . 0.0 112.262 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.506 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.04 -43.84 0.2 Allowed Glycine 0 CA--C 1.501 -0.821 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.477 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.74 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.48 -9.23 9.47 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.288 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -41.41 23.96 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.838 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.51 -27.07 9.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.604 0.716 . . . . 0.0 109.701 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -101.77 -42.53 6.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.798 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.74 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -70.79 -80.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.574 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.296 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.476 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.99 31.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.524 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -133.56 -34.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.42 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.91 -47.16 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.682 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -49.79 -64.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.698 0.761 . . . . 0.0 112.274 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.509 ' N ' HG22 ' B' ' 16' ' ' THR . 1.6 tp -106.59 -41.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.584 -176.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.7 t-80 -55.45 -21.52 16.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.7 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.9 t0 -71.45 -35.03 70.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.329 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.537 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -65.92 -10.14 36.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.476 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.7 mtpp -76.03 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -60.62 -116.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.931 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.504 ' HD2' ' HE1' ' B' ' 26' ' ' PHE . 0.8 OUTLIER -120.96 47.81 1.75 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.026 -178.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.975 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -67.71 -5.08 14.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.508 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -54.49 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' B' ' 31' ' ' ALA . 1.5 p90 -121.32 25.58 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.975 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -88.15 15.34 7.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.823 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.48 -2.53 9.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.385 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -121.11 -63.5 1.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.949 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' B' ' 32' ' ' ARG . 1.8 ttm180 -120.5 -47.35 2.34 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -54.73 0.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.689 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.89 -47.72 4.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 120.89 0.376 . . . . 0.0 110.599 179.323 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.29 -11.56 1.85 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.267 0.556 . . . . 0.0 109.717 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.503 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 18.2 mmmt -61.21 -38.92 88.32 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.76 -35.92 37.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.898 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.925 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.368 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.64 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.637 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -74.09 0.62 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.762 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.12 -26.79 5.44 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.93 -42.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 123.507 0.504 . . . . 0.0 112.15 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.64 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.18 -45.57 0.13 Allowed Glycine 0 CA--C 1.501 -0.801 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.639 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.34 -8.98 9.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.243 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.0 OUTLIER -77.65 -41.7 37.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 111.836 -179.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.934 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.11 -24.33 17.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.407 0.622 . . . . 0.0 110.083 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -106.65 -65.41 1.09 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.555 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.639 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -61.19 -88.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.79 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD2' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.267 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.538 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.672 0.272 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.565 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.11 31.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.537 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -130.55 -26.63 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.129 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.588 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.06 -62.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.09 179.426 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -39.69 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.969 0.89 . . . . 0.0 111.99 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.628 ' N ' HG22 ' B' ' 16' ' ' THR . 2.2 tp -83.42 -42.89 17.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.097 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.62 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.6 t-80 -58.18 -18.07 23.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.889 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.7 t70 -72.02 -32.95 67.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.348 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 13.0 mtp85 -66.28 -3.95 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.473 0.654 . . . . 0.0 109.341 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 22.3 mtpp -88.59 -54.92 3.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.619 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -59.44 -111.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.512 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.43 41.5 3.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.988 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.53 3.22 5.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -47.08 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.496 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 7.96 10.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.615 179.1 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.988 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -71.24 6.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.092 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.2 mm-40 -118.66 -4.18 10.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.087 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.69 -68.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.822 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.614 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.36 -39.76 2.64 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.614 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.51 7.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.708 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.18 -46.64 3.54 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 178.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.56 -12.92 3.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.522 0.677 . . . . 0.0 109.369 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 5.1 mmmm -60.15 -38.47 83.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.672 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.2 m95 -80.69 -31.85 36.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.022 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.323 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.687 0.279 . . . . 0.0 111.395 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.644 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.49 -72.61 0.68 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.86 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.01 -28.68 4.73 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.12 -44.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 4' ' ' VAL . . . -31.84 -45.95 0.19 Allowed Glycine 0 CA--C 1.5 -0.895 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.4 -6.1 9.82 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.224 -0.488 . . . . 0.0 110.315 178.154 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.2 m-85 -83.39 -38.57 21.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -57.24 -16.06 7.44 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.314 0.578 . . . . 0.0 109.899 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HD2' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -117.46 -40.18 3.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.889 -178.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 11.9 t30 -77.25 -72.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.875 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HE ' ' HB2' ' A' ' 11' ' ' ARG . 2.3 tpp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.386 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.56 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.466 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -78.29 32.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.357 0.599 . . . . 0.0 110.434 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.39 -29.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.213 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.507 HG23 ' H ' ' B' ' 16' ' ' THR . 0.6 OUTLIER -121.66 -55.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.417 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.6 m -43.92 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.926 0.869 . . . . 0.0 112.102 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.566 ' N ' HG22 ' B' ' 16' ' ' THR . 3.1 tp -94.11 -40.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.799 -1.546 . . . . 0.0 112.591 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.0 t-80 -58.46 -20.29 43.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.853 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 19.5 t70 -69.82 -48.04 60.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.67 ' NH2' ' HE3' ' A' ' 3' ' ' LYS . 18.1 mtm180 -66.21 -12.49 56.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 109.132 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.708 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.4 ttmm -79.8 -44.38 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.705 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -77.94 -111.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -121.3 47.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -39.82 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.464 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.35 3.17 10.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.9 mt-10 -74.03 8.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 110.24 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' B' ' 26' ' ' PHE . 7.2 mm-40 -120.1 -1.35 10.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -120.7 -75.95 0.59 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.688 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 -36.57 3.13 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.251 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.688 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -57.81 -4.16 0.27 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.705 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER -96.42 -47.89 5.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.13 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.948 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -51.18 -13.14 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.269 0.557 . . . . 0.0 110.398 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.509 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 3.3 mttt -61.27 -45.53 94.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.6 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -74.06 -30.2 62.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.848 -1.523 . . . . 0.0 109.459 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.948 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.153 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.534 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.625 0.25 . . . . 0.0 111.488 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.86 -74.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.831 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.82 -25.16 5.49 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -38.98 -42.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.534 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.11 -45.2 0.26 Allowed Glycine 0 CA--C 1.502 -0.765 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.0 -6.0 10.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.195 -0.503 . . . . 0.0 110.248 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.73 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -81.5 -42.3 20.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.175 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.35 -19.06 4.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.991 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -110.52 -59.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -62.57 -79.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.621 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.115 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.639 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.25 31.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 111.126 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.58 -30.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.117 178.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.611 HG23 ' H ' ' B' ' 16' ' ' THR . 0.9 OUTLIER -121.25 -58.79 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.93 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -40.71 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.954 0.883 . . . . 0.0 111.851 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.656 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 3.6 tp -89.26 -40.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.053 -1.43 . . . . 0.0 112.954 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -61.13 -17.82 54.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.203 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 16.3 t0 -72.12 -47.28 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 6.6 ptm180 -67.28 -1.91 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.652 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 17.2 tttm -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.6 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 2.1 pt-20 -78.71 -107.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -120.97 37.63 4.27 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.999 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -56.22 -12.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.616 0.246 . . . . 0.0 111.454 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -47.57 -52.37 17.9 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.506 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -113.05 16.26 19.36 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 179.196 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.999 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.41 11.38 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.364 0.602 . . . . 0.0 110.192 178.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -120.51 1.78 10.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.675 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -120.46 -71.93 0.71 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.16 -36.56 3.09 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.103 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.598 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -64.1 9.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.702 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.37 -45.55 3.7 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 120.927 0.394 . . . . 0.0 110.21 179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.856 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.31 -12.65 2.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.448 0.642 . . . . 0.0 109.431 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 6.3 mmmt -59.43 -39.72 84.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.62 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -80.59 -32.76 36.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.288 -1.778 . . . . 0.0 110.214 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.856 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.218 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.54 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.421 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.638 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.23 -73.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.704 -178.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.808 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.35 -26.68 4.98 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.16 -42.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -32.64 -44.7 0.2 Allowed Glycine 0 CA--C 1.499 -0.957 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.46 -5.65 9.81 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.232 -0.484 . . . . 0.0 110.383 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.53 -45.22 17.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.171 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.869 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.27 -20.98 3.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.625 . . . . 0.0 110.264 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.625 HH11 ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.47 -44.32 3.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.456 -178.476 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.4 t-20 -80.53 -83.29 0.11 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.203 0.525 . . . . 0.0 111.688 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.356 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.628 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.726 0.298 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.554 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.98 34.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.398 0.618 . . . . 0.0 110.984 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.468 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -133.32 -31.31 1.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.791 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' THR . 0.4 OUTLIER -121.18 -59.47 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.011 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.67 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -39.72 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.899 0.857 . . . . 0.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.63 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -88.53 -40.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.897 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.647 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.3 t-80 -63.45 -21.19 66.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.008 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' B' ' 15' ' ' ILE . 30.3 t70 -61.87 -64.15 1.03 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.063 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.36 -3.82 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.263 0.554 . . . . 0.0 110.08 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.0 ttmm -82.44 -33.21 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.2 pt-20 -98.26 -106.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.795 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.617 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 17.4 m-85 -120.49 46.62 1.95 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.924 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.23 -10.05 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.322 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.83 -53.55 7.36 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 109.935 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' B' ' 31' ' ' ALA . 10.8 p90 -120.9 23.13 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.396 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.924 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -89.65 23.05 2.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.307 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -122.08 -19.79 6.48 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.338 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -121.97 -40.57 2.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.238 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 8.4 tpp85 -117.72 -73.05 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.86 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -49.5 -7.52 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.101 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.729 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.55 -46.25 7.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.879 0.371 . . . . 0.0 110.679 179.354 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.885 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.26 -11.35 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.071 0.462 . . . . 0.0 110.502 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.86 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 3.4 mmtp -63.28 -40.35 97.13 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.592 ' CE3' ' HB2' ' B' ' 34' ' ' LYS . 1.4 m95 -77.81 -34.9 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.725 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.885 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.217 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.586 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.569 0.223 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.634 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.42 -73.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 111.792 -178.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.87 -27.3 5.04 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -178.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.796 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.37 -44.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.586 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.28 -43.49 0.22 Allowed Glycine 0 CA--C 1.502 -0.726 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -119.69 -8.69 9.88 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.179 178.214 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -78.98 -46.22 18.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.819 -179.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.796 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.3 ptmt -47.2 -32.84 4.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.581 0.705 . . . . 0.0 109.804 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.56 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -95.84 -60.07 1.72 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.295 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.492 HD22 ' HA ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -64.5 -91.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.963 -179.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.478 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.409 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.678 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.734 0.302 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.542 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.55 33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.273 0.558 . . . . 0.0 110.943 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.39 -33.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.19 178.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.591 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -120.83 -49.97 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.221 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.678 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.7 m -48.11 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.855 0.836 . . . . 0.0 111.375 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.635 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -90.28 -42.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.708 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.665 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.4 t-80 -57.24 -22.71 43.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.091 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 16.8 t0 -66.03 -59.8 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.324 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.718 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.04 -7.54 12.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.291 0.567 . . . . 0.0 109.664 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.665 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.6 tttm -77.87 -40.53 39.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.6 OUTLIER -88.19 -108.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.57 -179.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.654 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 27.9 m-85 -120.72 45.69 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 111.365 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.68 -3.98 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.774 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.654 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -46.64 -52.57 13.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.87 0.367 . . . . 0.0 110.417 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.493 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.87 9.75 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.771 179.188 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -75.34 10.31 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -120.1 -3.48 10.09 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -120.6 -69.43 0.84 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.07 -42.78 2.47 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.173 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.529 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -55.29 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.699 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.66 -48.67 3.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.746 0.307 . . . . 0.0 110.487 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.869 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.28 -12.79 1.75 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.224 0.535 . . . . 0.0 109.662 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 5.7 mmmt -58.9 -40.73 85.34 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.665 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -77.75 -35.28 51.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.064 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.869 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.541 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.572 0.225 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.651 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.51 -74.19 0.62 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.851 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.09 -25.86 5.24 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.289 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.73 -42.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.541 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.16 -46.58 0.15 Allowed Glycine 0 CA--C 1.497 -1.071 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.26 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -121.19 -4.4 9.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.151 -0.525 . . . . 0.0 110.162 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.4 m-85 -83.71 -36.48 23.66 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.277 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.4 pttt -58.25 -22.09 50.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.576 0.703 . . . . 0.0 109.706 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -111.44 -60.7 1.81 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.319 -178.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -68.82 -92.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.931 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.507 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.642 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.527 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.07 32.34 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.337 0.589 . . . . 0.0 110.849 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -129.58 -31.14 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.763 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.501 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.27 -59.4 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.135 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.642 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 2.0 m -39.2 -65.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.552 0.692 . . . . 0.0 112.619 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 2.7 tp -101.64 -40.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.572 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.8 t-80 -61.57 -14.25 28.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.478 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 13.2 t0 -67.04 -48.21 69.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.1 -0.375 . . . . 0.0 111.835 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.22 -4.26 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.442 0.639 . . . . 0.0 109.584 178.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 20.3 ttmt -93.56 -45.06 7.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.217 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -72.0 -109.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.714 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -120.22 46.58 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.107 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.92 -0.68 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.509 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -37.07 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.538 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.52 -3.34 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.6 mt-10 -74.34 11.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 109.841 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.1 mm-40 -120.47 -7.58 9.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -120.63 -73.43 0.65 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.697 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -39.48 2.75 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.697 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -55.94 -8.1 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.697 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.19 -49.46 5.73 Favored 'General case' 0 CA--C 1.509 -0.605 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.338 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.914 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -49.9 -14.65 0.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.167 0.508 . . . . 0.0 110.509 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.531 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 1.9 mttm -60.61 -46.29 90.8 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.541 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -71.85 -34.54 69.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.349 178.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.914 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.17 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.602 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.571 0.224 . . . . 0.0 111.442 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.43 -74.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.827 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.3 -24.9 5.34 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.99 -40.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.34 -48.28 0.21 Allowed Glycine 0 CA--C 1.498 -1.027 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 2.0 m-85 -121.51 -3.58 9.35 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.333 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.608 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -83.53 -32.95 25.61 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.811 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.902 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.31 -17.33 58.45 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.431 0.634 . . . . 0.0 109.329 178.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -119.23 -65.81 1.13 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.306 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.551 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 2.0 t-20 -62.76 -84.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.454 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.705 0.288 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.65 31.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.274 0.559 . . . . 0.0 111.152 -179.86 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.543 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.24 -33.12 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.787 178.541 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -120.95 -55.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.199 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.712 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 2.7 m -40.64 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.711 0.767 . . . . 0.0 112.194 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.563 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.8 tp -99.13 -39.76 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.309 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.711 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 9.5 t-80 -62.53 -16.74 57.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.01 -0.996 . . . . 0.0 112.725 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.509 ' HB2' HD12 ' B' ' 15' ' ' ILE . 51.0 t0 -69.54 -48.54 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.922 -0.486 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.0 -12.97 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.214 0.53 . . . . 0.0 110.089 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.711 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -55.28 -28.74 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.287 179.441 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -120.66 -105.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.688 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 82.9 m-85 -121.12 66.9 0.87 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.647 0.261 . . . . 0.0 111.66 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.96 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -71.39 -11.34 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.281 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.688 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -47.42 -52.85 15.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.607 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.556 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.37 20.81 11.86 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.96 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.3 5.34 10.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.81 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -120.67 3.34 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.43 -70.83 0.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.646 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.707 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.81 -38.78 2.69 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.707 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.65 8.41 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.694 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -104.75 -45.47 4.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.874 0.368 . . . . 0.0 110.516 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.803 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.28 -11.79 0.85 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 109.797 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' B' ' 30' ' ' ARG . 26.4 mmtp -60.99 -41.48 96.56 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.631 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.8 m95 -78.41 -30.79 47.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.308 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.803 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.681 0.276 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.625 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.15 -73.58 0.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 111.534 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.39 -27.36 4.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.4 p -38.57 -44.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.507 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.87 -42.6 0.25 Allowed Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.05 -7.55 9.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.438 178.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -77.88 -46.95 19.89 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 2.4 ptmt -47.65 -33.16 6.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.65 0.738 . . . . 0.0 109.82 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.03 -57.11 2.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.189 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.0 t-20 -63.66 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.673 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.591 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.581 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.715 0.293 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.6 35.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.305 0.574 . . . . 0.0 110.54 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -133.87 -33.56 1.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.813 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.626 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.3 -59.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.306 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -39.31 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.84 0.829 . . . . 0.0 111.824 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.671 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -93.01 -41.42 12.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.136 -1.393 . . . . 0.0 112.749 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.756 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.5 t-80 -63.14 -11.75 22.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.597 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 12.7 t0 -70.17 -45.66 66.24 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.813 -0.554 . . . . 0.0 111.275 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -68.2 -12.08 60.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.234 0.54 . . . . 0.0 110.272 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.756 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 11.3 tttm -61.29 -48.49 81.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -90.4 -109.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.91 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.705 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 75.5 m-85 -120.51 58.6 0.93 Allowed 'General case' 0 C--O 1.231 0.102 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.954 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.58 -9.48 19.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.256 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.705 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -45.87 -43.19 13.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.483 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.88 0.03 10.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.954 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.4 mt-10 -75.37 12.78 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.25 0.548 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.2 mt-10 -117.81 -8.22 10.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -120.86 -67.2 0.99 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.418 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.69 -45.05 2.42 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -53.97 -1.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.0 -47.24 4.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.281 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.926 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.38 -10.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.224 0.535 . . . . 0.0 109.694 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 16.3 mmmt -61.36 -39.13 89.48 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.26 -34.75 42.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.827 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.926 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.585 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.584 0.231 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.658 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -73.61 0.64 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.817 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.85 -25.87 5.33 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.671 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.779 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.82 -42.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.585 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.98 -44.97 0.39 Allowed Glycine 0 CA--C 1.501 -0.797 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -120.26 -4.03 9.98 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.126 177.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.9 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.2 OUTLIER -82.97 -43.52 16.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.025 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.779 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.46 -25.6 10.56 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.51 0.672 . . . . 0.0 109.821 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.93 -56.43 2.18 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.703 -178.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.8 t-20 -66.01 -54.3 27.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.973 0.416 . . . . 0.0 111.866 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.473 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.62 0.247 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.487 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.07 33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 111.109 -179.763 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -138.01 -31.02 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.523 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.484 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.88 -43.81 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.158 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.9 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -54.86 -71.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.872 0.844 . . . . 0.0 111.759 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.59 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -94.4 -43.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 114.05 -1.432 . . . . 0.0 112.946 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.868 ' HA ' ' HE2' ' B' ' 21' ' ' LYS . 1.4 t-80 -55.34 -27.48 47.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.914 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 20.8 t0 -74.03 -47.35 37.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.629 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -58.94 -12.92 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.095 0.474 . . . . 0.0 110.583 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' B' ' 18' ' ' HIS . 43.6 mttm -62.04 -67.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.813 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -59.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.155 -1.384 . . . . 0.0 112.372 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.434 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 0.4 OUTLIER -120.29 44.51 2.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -178.62 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.857 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.3 -7.07 2.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.155 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.84 26.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 109.918 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.94 13.86 11.46 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.857 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.58 15.59 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -121.81 -15.27 7.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.709 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.4 -55.95 1.92 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.667 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.709 ' HG3' ' HE3' ' B' ' 34' ' ' LYS . 6.3 tpp180 -111.15 -65.39 1.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -178.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -49.46 -7.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.735 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -95.46 -47.03 6.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.64 -12.84 0.82 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.268 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.709 ' HE3' ' HG3' ' B' ' 30' ' ' ARG . 25.9 mmtp -60.12 -41.94 93.7 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.617 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.19 -35.3 55.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.67 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 1.5 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.208 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.581 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.685 0.278 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.629 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.48 -73.96 0.63 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.827 -179.022 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.811 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.15 -25.92 5.2 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.66 -42.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.581 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.99 -45.02 0.17 Allowed Glycine 0 CA--C 1.501 -0.783 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.416 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.43 -7.61 9.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.039 178.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' B' ' 16' ' ' THR . 3.0 m-85 -83.04 -26.21 31.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.848 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -67.74 -24.05 65.32 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.41 -67.66 0.98 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.54 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 2.2 t-20 -58.22 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.558 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.617 HH22 ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.37 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.64 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.566 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 110.984 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -132.33 -29.84 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.164 179.139 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.528 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -122.05 -58.95 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.087 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.2 m -40.9 -61.1 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.667 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 1.1 tp -104.36 -43.29 8.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.818 -176.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.62 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 2.1 t-80 -57.2 -13.27 2.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.13 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 11.4 t0 -75.61 -38.65 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 12.1 ptm180 -65.98 -8.13 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 109.755 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 7.4 mtpt -72.31 -59.59 2.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.706 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 0.9 OUTLIER -64.05 -117.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.9 -179.033 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 1.7 m-85 -120.68 49.19 1.49 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.285 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.48 -9.79 9.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.476 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.85 -55.32 5.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.166 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.661 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.2 OUTLIER -120.42 22.15 11.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 178.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.905 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.44 8.48 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.422 0.629 . . . . 0.0 110.363 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -121.02 -1.75 9.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.443 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -121.03 -63.83 1.3 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.96 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.556 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -120.62 -48.45 2.28 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.782 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -54.22 -2.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -98.03 -46.42 5.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.822 0.344 . . . . 0.0 110.785 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.86 -12.06 0.74 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.249 0.547 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.782 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 22.0 mmtp -59.72 -42.12 92.41 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.635 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -76.64 -34.14 58.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.281 -1.781 . . . . 0.0 109.996 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.879 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.241 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.645 0.26 . . . . 0.0 111.355 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.7 -74.15 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.82 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.56 -26.92 5.24 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.43 -43.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.58 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.49 -44.4 0.19 Allowed Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.28 -7.25 9.81 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.278 178.038 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.698 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.03 -42.1 24.45 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.86 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.82 -20.61 6.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.327 0.584 . . . . 0.0 109.761 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.565 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -109.89 -66.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -55.42 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.1 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.931 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.635 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.354 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.8 32.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 110.932 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.49 -29.71 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.078 179.048 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.567 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.44 -57.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.065 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -43.07 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.849 0.833 . . . . 0.0 111.996 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.596 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.17 -41.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.135 -1.393 . . . . 0.0 113.027 -177.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 6.6 t-80 -61.03 -16.9 48.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.028 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 20.8 t0 -73.62 -43.99 58.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.716 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -63.74 -13.44 43.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.425 0.631 . . . . 0.0 109.599 179.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 1.9 mtpt -72.29 -58.8 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.01 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -62.85 -121.4 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.043 -178.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.418 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 1.3 m-85 -121.29 43.67 2.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.628 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -59.68 -11.36 4.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.499 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -47.1 -52.05 16.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.888 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.8 22.19 11.2 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.72 14.51 5.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.573 0.701 . . . . 0.0 110.146 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -121.15 -6.59 9.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.662 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.01 -56.96 1.9 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.434 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' B' ' 32' ' ' ARG . 9.9 tpp85 -120.24 -57.16 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.928 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -50.5 -6.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.72 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -96.66 -47.48 5.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.879 0.371 . . . . 0.0 110.243 179.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -53.77 -13.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.169 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.928 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 2.6 mmtp -59.01 -42.33 89.85 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.642 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -77.49 -34.25 54.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.383 -1.735 . . . . 0.0 109.994 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.517 ' HE2' ' CG1' ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.76 -74.51 0.61 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.748 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.5 -25.02 5.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.739 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.0 OUTLIER -38.7 -43.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.344 0.403 . . . . 0.0 111.866 -179.335 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.44 -44.22 0.27 Allowed Glycine 0 CA--C 1.502 -0.725 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -118.2 -8.36 10.64 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.439 177.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.756 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -78.36 -42.48 30.32 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.3 ptmt -50.36 -33.77 21.66 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.538 0.685 . . . . 0.0 109.756 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.51 -50.21 5.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.283 -179.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.683 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -69.79 -88.2 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.805 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.51 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.694 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.553 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -76.61 33.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.148 0.499 . . . . 0.0 110.81 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -135.99 -34.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.287 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.583 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -120.64 -53.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.756 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.1 m -43.27 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.615 0.721 . . . . 0.0 111.851 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.648 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -99.53 -39.69 7.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.623 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.622 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.5 t-80 -60.91 -25.04 66.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.527 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 50.7 t0 -62.97 -54.07 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.223 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.13 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.24 0.543 . . . . 0.0 110.373 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -57.92 -33.16 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.872 179.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.67 -98.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.132 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.74 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 60.2 m-85 -121.52 66.87 0.89 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.56 -6.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 0.0 110.793 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.85 -53.4 25.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.477 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -107.28 0.53 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.713 179.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.7 mt-10 -75.67 15.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.442 0.639 . . . . 0.0 110.295 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.7 mm-40 -121.07 -8.28 9.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.627 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -121.21 -65.55 1.13 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -120.88 -46.56 2.33 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -55.07 0.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.714 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -105.18 -46.69 4.17 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.875 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.67 -13.06 2.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.341 0.591 . . . . 0.0 109.599 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 4.8 mmmm -60.34 -39.15 86.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.54 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -80.52 -33.68 36.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.007 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.875 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.28 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.636 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.528 0.204 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.663 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.837 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.08 -25.03 5.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.27 -41.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.636 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.18 -46.14 0.22 Allowed Glycine 0 CA--C 1.497 -1.043 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.98 -4.03 9.61 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.178 178.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -85.32 -34.23 21.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.223 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -60.99 -21.1 63.22 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.53 0.681 . . . . 0.0 109.468 179.083 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.42 -64.12 1.35 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.312 -178.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.566 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -67.05 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.475 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.602 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.543 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.18 30.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.346 0.593 . . . . 0.0 110.996 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.531 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.12 -30.72 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.816 178.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.515 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.59 -59.36 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.372 179.446 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.663 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 1.3 m -39.58 -64.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 112.669 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.543 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.3 tp -101.78 -40.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.44 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.605 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.3 t-80 -62.41 -14.98 46.32 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.334 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 12.5 t0 -65.24 -54.47 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.635 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.584 ' HA ' ' CB ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -63.31 -1.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -93.21 -54.98 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.509 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -66.91 -105.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.566 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.763 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 8.6 m-85 -120.54 45.04 2.31 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.29 -6.49 9.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.54 0.21 . . . . 0.0 111.181 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.763 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.93 -50.59 34.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.253 179.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.537 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.19 14.63 12.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.95 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.05 9.69 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.328 0.585 . . . . 0.0 109.966 178.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -120.99 -0.21 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.7 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -120.47 -71.14 0.75 Allowed 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.619 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.73 -38.47 2.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 -179.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.619 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.98 8.19 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.08 -46.44 3.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.409 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.72 -13.64 2.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HD3' ' HD3' ' B' ' 30' ' ' ARG . 5.8 mmmm -57.67 -40.51 79.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.623 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.1 m95 -79.35 -32.76 43.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.185 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.867 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.247 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.529 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.601 0.239 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.64 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.28 -73.09 0.66 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 111.603 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.16 -28.13 4.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.38 -46.27 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.74 -41.69 0.19 Allowed Glycine 0 CA--C 1.502 -0.735 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.368 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -118.58 -10.8 10.0 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.543 -0.328 . . . . 0.0 110.294 178.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.808 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.47 -47.94 13.56 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.642 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -47.37 -26.93 1.43 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.547 0.689 . . . . 0.0 110.232 -179.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.562 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -105.33 -40.74 5.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.675 -178.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.67 -76.36 0.22 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.223 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.581 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -76.7 35.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.847 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.92 -33.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 179.207 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.458 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -122.39 -44.44 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.808 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -53.93 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.104 0.954 . . . . 0.0 111.692 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.696 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 2.0 tp -91.09 -41.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.705 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.638 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.4 t-80 -61.81 -10.52 9.27 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.509 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.607 ' C ' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -72.63 -34.37 67.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 ptm180 -74.09 21.82 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.58 0.705 . . . . 0.0 109.437 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.7 tttm -120.26 -38.58 2.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.641 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -78.24 -102.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.583 -179.154 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.7 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 49.8 m-85 -120.52 36.27 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.42 -8.79 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.7 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.21 -44.02 53.01 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.802 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.627 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -117.66 7.11 12.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.073 179.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.53 8.45 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.135 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.9 mm-40 -120.49 -4.93 9.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.483 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.89 -65.85 1.11 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.037 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.77 -46.81 2.34 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.801 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -53.5 -3.27 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.711 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.41 -46.38 6.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.61 -12.92 0.83 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.186 0.517 . . . . 0.0 110.111 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.801 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 15.4 mmtp -59.66 -41.56 90.86 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -78.23 -33.31 49.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.05 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.225 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.542 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.641 0.258 . . . . 0.0 111.346 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.666 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.68 -73.49 0.64 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.828 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.73 -27.06 5.14 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.09 -42.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.405 0.441 . . . . 0.0 112.153 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.59 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.1 -45.66 0.28 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.19 -5.53 9.95 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.183 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.721 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.68 -44.64 18.46 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.0 ptmt -50.96 -28.36 9.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.629 0.728 . . . . 0.0 110.295 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -104.98 -50.56 3.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.852 -177.336 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -74.25 -68.43 0.53 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.02 -179.338 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.427 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.748 0.308 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.6 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.54 33.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.21 0.528 . . . . 0.0 110.733 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -135.6 -33.63 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.206 179.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.574 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.7 OUTLIER -121.24 -48.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.052 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.721 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.4 m -48.65 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.695 0.76 . . . . 0.0 111.419 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.647 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.91 -41.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.605 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.625 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.7 t-80 -58.08 -28.16 64.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.361 -177.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.3 t0 -61.58 -61.9 2.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.442 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.669 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -62.53 -8.79 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.327 0.584 . . . . 0.0 109.968 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.8 tttp -83.96 -42.47 16.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.271 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -81.7 -107.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -121.12 40.99 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.982 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.95 -12.1 23.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -42.26 59.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.534 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.26 3.31 10.86 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.982 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -73.97 8.4 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.238 0.542 . . . . 0.0 110.602 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' B' ' 26' ' ' PHE . 3.8 mm-40 -120.18 -3.02 10.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -120.64 -69.51 0.84 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.577 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -38.73 2.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.577 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.63 10.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -111.07 -45.3 3.46 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 110.18 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.858 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -58.86 -11.75 3.64 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HE2' ' HD2' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -60.41 -39.09 86.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 176.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.3 m95 -80.12 -32.69 39.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.946 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.858 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.587 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.65 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.0 0.63 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.4 -26.88 5.31 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.4 p -38.24 -41.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.587 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.62 -45.14 0.15 Allowed Glycine 0 CA--C 1.501 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.474 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -120.17 -10.11 9.44 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.227 -0.486 . . . . 0.0 110.042 177.631 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.68 ' O ' ' HA ' ' B' ' 16' ' ' THR . 4.1 m-85 -80.17 -23.14 41.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.131 0.491 . . . . 0.0 112.133 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.34 -34.09 76.6 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.685 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -103.33 -65.93 0.97 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.205 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.559 ' H ' HH11 ' A' ' 9' ' ' ARG . 1.0 OUTLIER -61.25 -88.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.932 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.572 ' NH2' ' HB3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.371 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.646 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.56 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.24 32.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.55 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -132.63 -32.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.13 179.13 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.44 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -121.5 -57.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.12 179.481 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.2 m -40.85 -60.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 112.688 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 1.2 tp -104.82 -43.07 7.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.321 -176.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.722 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -57.72 -12.67 3.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.588 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 10.0 t0 -71.89 -50.79 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.972 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -65.65 -3.89 5.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.236 0.541 . . . . 0.0 110.138 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.722 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -78.99 -49.19 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -109.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.659 ' HD1' ' HD3' ' B' ' 25' ' ' LYS . 42.1 m-85 -121.39 46.81 1.97 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.48 -7.44 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.633 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.659 ' HD3' ' HD1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.48 -51.33 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.519 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.544 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.48 18.18 12.1 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -77.64 8.29 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.419 0.628 . . . . 0.0 110.681 179.307 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -121.03 0.46 10.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.623 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 -69.45 0.84 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.587 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.81 -40.33 2.65 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.928 -179.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -61.1 8.29 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.675 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -110.23 -45.96 3.5 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 120.882 0.372 . . . . 0.0 110.322 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.12 -14.73 1.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 1.3 mmmt -58.14 -43.36 87.29 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . 0.654 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.8 -72.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.142 178.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.929 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.66 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.43 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.611 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.74 -73.45 0.65 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.915 -178.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.17 -26.68 5.04 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.878 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.59 -42.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.66 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.71 -44.94 0.21 Allowed Glycine 0 CA--C 1.499 -0.913 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.35 -7.23 9.78 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 115.336 -0.432 . . . . 0.0 110.221 178.235 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.7 OUTLIER -80.25 -42.08 23.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.878 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.94 -18.41 4.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.249 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -115.06 -42.29 3.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.909 -178.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 3.4 t30 -82.33 -78.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.07 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.632 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.682 0.277 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.486 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -77.27 31.46 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.229 0.537 . . . . 0.0 110.74 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -130.67 -31.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.916 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.549 HG23 ' H ' ' B' ' 16' ' ' THR . 0.5 OUTLIER -121.7 -58.04 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.181 179.359 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -40.09 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.859 0.837 . . . . 0.0 112.059 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.585 ' N ' HG22 ' B' ' 16' ' ' THR . 3.2 tp -93.03 -40.93 12.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.811 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.1 t-80 -60.05 -15.05 19.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.35 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 15.8 t0 -70.77 -47.17 60.98 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.34 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.531 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.57 -9.2 17.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 109.276 178.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 31.0 tttt -83.11 -42.77 17.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.041 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -81.77 -110.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.413 -179.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.558 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 30.9 m-85 -120.92 48.26 1.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.68 -9.79 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.542 0.211 . . . . 0.0 111.3 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.2 -47.07 46.4 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.608 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.64 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.03 5.92 10.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.944 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -74.45 9.77 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.391 0.615 . . . . 0.0 110.731 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 26' ' ' PHE . 1.3 mm-40 -120.63 -8.01 9.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.608 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.43 -62.9 1.37 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.618 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.658 ' HG2' ' HE2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -120.36 -48.67 2.3 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -178.526 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.64 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -53.76 -4.39 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.718 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.27 -46.42 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.806 0.336 . . . . 0.0 110.722 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.55 -11.03 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.258 0.551 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.658 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 48.3 mmtt -61.84 -41.57 97.97 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.647 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.39 -34.43 54.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.932 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.849 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.406 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.56 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.574 0.226 . . . . 0.0 111.433 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.646 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.53 -73.41 0.65 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.723 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.94 -26.85 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.368 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.773 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.55 -42.8 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 O-C-N 123.394 0.434 . . . . 0.0 112.149 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.47 -43.04 0.23 Allowed Glycine 0 CA--C 1.501 -0.818 0 C-N-CA 120.762 -0.733 . . . . 0.0 111.331 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -120.07 -11.57 9.24 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.357 178.23 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.849 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -75.47 -44.32 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.773 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.3 -25.8 10.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.543 0.687 . . . . 0.0 109.999 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -108.14 -23.69 11.86 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.839 -178.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.688 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -96.65 -75.14 0.54 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.0 111.674 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.592 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.723 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.706 0.289 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.662 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.01 31.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.168 0.509 . . . . 0.0 111.116 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -135.52 -33.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.452 179.205 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' B' ' 19' ' ' ASP . 0.1 OUTLIER -121.82 -40.97 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.591 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.849 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.2 m -57.08 -70.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.786 0.803 . . . . 0.0 111.568 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.616 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -95.86 -39.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.301 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.703 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.3 t-80 -62.05 -30.85 71.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.198 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.668 ' HB2' HD13 ' B' ' 15' ' ' ILE . 26.8 t70 -65.56 -57.75 7.44 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.29 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -63.96 -13.68 47.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.387 0.613 . . . . 0.0 109.592 178.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.1 tttp -71.18 -42.98 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.779 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -89.15 -110.83 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 -179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.614 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 6.7 m-85 -121.37 56.72 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.658 0.266 . . . . 0.0 111.539 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.64 -7.49 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.339 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.56 -47.75 49.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.538 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.63 6.75 10.52 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.052 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -72.22 11.54 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.249 0.547 . . . . 0.0 111.128 179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' B' ' 26' ' ' PHE . 8.6 mm-40 -120.64 -10.89 9.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.04 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.19 -61.48 1.54 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.808 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.555 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -119.99 -45.84 2.45 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.576 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -59.8 6.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.51 -45.04 3.76 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.05 0.452 . . . . 0.0 110.024 179.097 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.07 -14.89 2.92 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 9.6 mmmt -58.41 -42.89 88.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.628 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.6 -72.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.128 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.924 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.657 0.265 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.615 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.63 -73.69 0.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.771 -178.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.06 -27.13 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.536 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.52 -43.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 123.44 0.462 . . . . 0.0 112.106 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.501 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.46 -43.48 0.24 Allowed Glycine 0 CA--C 1.502 -0.778 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.619 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -119.81 -8.34 9.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.373 178.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.761 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -43.29 20.75 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.826 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.47 -24.37 4.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.52 0.676 . . . . 0.0 109.651 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -103.76 -57.13 2.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.235 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.619 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.9 t-20 -62.73 -85.83 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.449 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.985 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.582 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.59 32.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.259 0.552 . . . . 0.0 110.874 -179.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.86 -28.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.968 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.654 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.95 -60.96 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.169 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -39.83 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.98 0.895 . . . . 0.0 112.054 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.601 ' N ' HG22 ' B' ' 16' ' ' THR . 2.7 tp -90.9 -42.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 113.959 -1.473 . . . . 0.0 113.041 -177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.0 t-80 -59.79 -19.48 50.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.444 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 7.6 t0 -64.76 -56.94 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -66.46 -2.73 4.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.433 0.635 . . . . 0.0 109.52 178.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.64 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 21.4 tttp -91.14 -40.79 11.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.228 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -80.77 -106.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.655 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.586 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 56.7 m-85 -121.34 40.37 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.967 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.98 -8.85 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.304 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.99 -42.96 60.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.013 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.563 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -114.87 6.2 15.36 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 179.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.967 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -75.78 10.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.376 0.607 . . . . 0.0 110.18 178.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.3 mm-40 -121.5 -4.37 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.8 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -120.92 -66.33 1.06 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.525 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.54 -43.7 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.172 -179.041 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.563 ' HB2' ' HD1' ' B' ' 26' ' ' PHE . . . -59.9 8.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.686 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.17 -44.54 3.92 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.433 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.893 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -59.28 -9.79 2.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.465 0.65 . . . . 0.0 109.379 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.468 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 7.1 mmmt -63.32 -38.36 90.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -81.36 -32.22 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.039 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.893 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.306 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CE ' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.646 0.26 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.613 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.41 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.595 -178.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.708 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.49 -29.54 4.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -37.73 -44.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.454 0.471 . . . . 0.0 112.262 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.04 -43.84 0.2 Allowed Glycine 0 CA--C 1.501 -0.821 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.477 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.74 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.48 -9.23 9.47 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.288 178.392 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -80.62 -41.41 23.96 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.838 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -51.51 -27.07 9.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.604 0.716 . . . . 0.0 109.701 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -101.77 -42.53 6.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.798 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.74 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -70.79 -80.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.574 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.296 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.707 0.289 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.476 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.99 31.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.524 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -133.56 -34.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.42 179.406 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.91 -47.16 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.682 HG21 ' HB ' ' A' ' 4' ' ' VAL . 1.2 m -49.79 -64.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.698 0.761 . . . . 0.0 112.274 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.509 ' N ' HG22 ' B' ' 16' ' ' THR . 1.6 tp -106.59 -41.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.584 -176.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.7 t-80 -55.45 -21.52 16.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.7 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.9 t0 -71.45 -35.03 70.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.329 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.537 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -65.92 -10.14 36.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.476 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 21.7 mtpp -76.03 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.972 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -60.62 -116.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.931 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.504 ' HD2' ' HE1' ' B' ' 26' ' ' PHE . 0.8 OUTLIER -120.96 47.81 1.75 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.026 -178.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.975 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -67.71 -5.08 14.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.508 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -54.49 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' B' ' 31' ' ' ALA . 1.5 p90 -121.32 25.58 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.975 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -88.15 15.34 7.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.823 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.48 -2.53 9.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.385 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -121.11 -63.5 1.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.949 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' B' ' 32' ' ' ARG . 1.8 ttm180 -120.5 -47.35 2.34 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -54.73 0.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.689 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.89 -47.72 4.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 120.89 0.376 . . . . 0.0 110.599 179.323 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.29 -11.56 1.85 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.267 0.556 . . . . 0.0 109.717 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.503 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 18.2 mmmt -61.21 -38.92 88.32 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.76 -35.92 37.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.898 178.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.925 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.368 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.64 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.637 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -74.09 0.62 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.762 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.12 -26.79 5.44 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.93 -42.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 123.507 0.504 . . . . 0.0 112.15 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.64 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.18 -45.57 0.13 Allowed Glycine 0 CA--C 1.501 -0.801 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.639 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.34 -8.98 9.57 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.207 -0.497 . . . . 0.0 110.243 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.697 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.0 OUTLIER -77.65 -41.7 37.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 111.836 -179.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.934 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.11 -24.33 17.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.407 0.622 . . . . 0.0 110.083 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -106.65 -65.41 1.09 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.555 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.639 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -61.19 -88.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.79 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD2' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.267 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.538 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.672 0.272 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.565 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.11 31.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.229 0.537 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -130.55 -26.63 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.129 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.588 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.06 -62.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.09 179.426 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -39.69 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.969 0.89 . . . . 0.0 111.99 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.628 ' N ' HG22 ' B' ' 16' ' ' THR . 2.2 tp -83.42 -42.89 17.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.097 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.62 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 1.6 t-80 -58.18 -18.07 23.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.889 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 8.7 t70 -72.02 -32.95 67.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.348 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 13.0 mtp85 -66.28 -3.95 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.473 0.654 . . . . 0.0 109.341 178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 22.3 mtpp -88.59 -54.92 3.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.619 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -59.44 -111.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.512 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.43 41.5 3.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.988 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -72.53 3.22 5.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.698 0.285 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -47.08 86.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.496 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 7.96 10.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.615 179.1 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.988 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -71.24 6.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.092 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.2 mm-40 -118.66 -4.18 10.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.087 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -120.69 -68.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.822 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.614 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.36 -39.76 2.64 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.614 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -59.51 7.7 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.708 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.18 -46.64 3.54 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 178.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.56 -12.92 3.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.522 0.677 . . . . 0.0 109.369 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 5.1 mmmm -60.15 -38.47 83.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.672 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.2 m95 -80.69 -31.85 36.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.022 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.323 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.687 0.279 . . . . 0.0 111.395 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.644 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.49 -72.61 0.68 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.86 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.01 -28.68 4.73 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.12 -44.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 4' ' ' VAL . . . -31.84 -45.95 0.19 Allowed Glycine 0 CA--C 1.5 -0.895 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.4 -6.1 9.82 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.224 -0.488 . . . . 0.0 110.315 178.154 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' HG23 ' B' ' 16' ' ' THR . 1.2 m-85 -83.39 -38.57 21.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -57.24 -16.06 7.44 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.314 0.578 . . . . 0.0 109.899 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' HD2' ' HG2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -117.46 -40.18 3.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.889 -178.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 11.9 t30 -77.25 -72.31 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.875 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HE ' ' HB2' ' A' ' 11' ' ' ARG . 2.3 tpp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.386 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.56 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.466 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -78.29 32.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.357 0.599 . . . . 0.0 110.434 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.39 -29.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.213 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.507 HG23 ' H ' ' B' ' 16' ' ' THR . 0.6 OUTLIER -121.66 -55.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.417 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.6 m -43.92 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.926 0.869 . . . . 0.0 112.102 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.566 ' N ' HG22 ' B' ' 16' ' ' THR . 3.1 tp -94.11 -40.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 113.799 -1.546 . . . . 0.0 112.591 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.708 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.0 t-80 -58.46 -20.29 43.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.853 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 19.5 t70 -69.82 -48.04 60.51 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.67 ' NH2' ' HE3' ' A' ' 3' ' ' LYS . 18.1 mtm180 -66.21 -12.49 56.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 109.132 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.708 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.4 ttmm -79.8 -44.38 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.705 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 3.3 pt-20 -77.94 -111.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -121.3 47.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -39.82 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.464 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.35 3.17 10.83 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.9 mt-10 -74.03 8.09 2.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 110.24 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' B' ' 26' ' ' PHE . 7.2 mm-40 -120.1 -1.35 10.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -120.7 -75.95 0.59 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.688 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.86 -36.57 3.13 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.251 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.688 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -57.81 -4.16 0.27 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.705 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER -96.42 -47.89 5.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.13 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.948 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -51.18 -13.14 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.269 0.557 . . . . 0.0 110.398 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.509 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 3.3 mttt -61.27 -45.53 94.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.6 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -74.06 -30.2 62.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.848 -1.523 . . . . 0.0 109.459 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.948 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.153 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.534 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.625 0.25 . . . . 0.0 111.488 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.86 -74.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.831 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.82 -25.16 5.49 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -38.98 -42.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.534 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.11 -45.2 0.26 Allowed Glycine 0 CA--C 1.502 -0.765 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.0 -6.0 10.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.195 -0.503 . . . . 0.0 110.248 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.73 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.4 OUTLIER -81.5 -42.3 20.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.175 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -54.35 -19.06 4.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.991 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -110.52 -59.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -62.57 -79.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.621 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.115 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.639 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.25 31.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 111.126 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -131.58 -30.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.117 178.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.611 HG23 ' H ' ' B' ' 16' ' ' THR . 0.9 OUTLIER -121.25 -58.79 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.93 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -40.71 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.954 0.883 . . . . 0.0 111.851 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.656 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 3.6 tp -89.26 -40.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.053 -1.43 . . . . 0.0 112.954 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -61.13 -17.82 54.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.203 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 16.3 t0 -72.12 -47.28 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 6.6 ptm180 -67.28 -1.91 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.652 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 17.2 tttm -93.95 -41.31 9.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.6 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 2.1 pt-20 -78.71 -107.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -120.97 37.63 4.27 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.999 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -56.22 -12.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.616 0.246 . . . . 0.0 111.454 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -47.57 -52.37 17.9 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.506 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -113.05 16.26 19.36 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 179.196 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.999 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.41 11.38 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.364 0.602 . . . . 0.0 110.192 178.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -120.51 1.78 10.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.675 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -120.46 -71.93 0.71 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.16 -36.56 3.09 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.103 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.598 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -64.1 9.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.702 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.37 -45.55 3.7 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 120.927 0.394 . . . . 0.0 110.21 179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.856 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.31 -12.65 2.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.448 0.642 . . . . 0.0 109.431 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 6.3 mmmt -59.43 -39.72 84.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.62 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -80.59 -32.76 36.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.288 -1.778 . . . . 0.0 110.214 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.856 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.218 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.54 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.421 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.638 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.23 -73.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.704 -178.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.808 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.35 -26.68 4.98 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.16 -42.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -32.64 -44.7 0.2 Allowed Glycine 0 CA--C 1.499 -0.957 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.582 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.46 -5.65 9.81 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.232 -0.484 . . . . 0.0 110.383 177.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.67 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.53 -45.22 17.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.171 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.869 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.27 -20.98 3.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.411 0.625 . . . . 0.0 110.264 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.625 HH11 ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.47 -44.32 3.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.456 -178.476 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.4 t-20 -80.53 -83.29 0.11 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.203 0.525 . . . . 0.0 111.688 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.356 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.628 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.726 0.298 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.554 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.98 34.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.398 0.618 . . . . 0.0 110.984 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.468 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -133.32 -31.31 1.25 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.791 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' THR . 0.4 OUTLIER -121.18 -59.47 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.011 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.67 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.9 m -39.72 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.899 0.857 . . . . 0.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.63 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -88.53 -40.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.897 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.647 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.3 t-80 -63.45 -21.19 66.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.008 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' B' ' 15' ' ' ILE . 30.3 t70 -61.87 -64.15 1.03 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.063 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.36 -3.82 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.263 0.554 . . . . 0.0 110.08 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.647 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 7.0 ttmm -82.44 -33.21 28.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.2 pt-20 -98.26 -106.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.795 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.617 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 17.4 m-85 -120.49 46.62 1.95 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.924 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.23 -10.05 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.322 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.83 -53.55 7.36 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 109.935 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' B' ' 31' ' ' ALA . 10.8 p90 -120.9 23.13 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.396 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.924 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -89.65 23.05 2.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.409 179.307 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -122.08 -19.79 6.48 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.338 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -121.97 -40.57 2.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.238 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 8.4 tpp85 -117.72 -73.05 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.86 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -49.5 -7.52 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.101 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.729 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.55 -46.25 7.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.879 0.371 . . . . 0.0 110.679 179.354 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.885 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.26 -11.35 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.071 0.462 . . . . 0.0 110.502 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.86 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 3.4 mmtp -63.28 -40.35 97.13 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.592 ' CE3' ' HB2' ' B' ' 34' ' ' LYS . 1.4 m95 -77.81 -34.9 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.725 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.885 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.217 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.586 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.569 0.223 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.634 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.42 -73.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 111.792 -178.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.74 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.87 -27.3 5.04 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -178.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.796 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.37 -44.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.586 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.28 -43.49 0.22 Allowed Glycine 0 CA--C 1.502 -0.726 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.495 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -119.69 -8.69 9.88 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.179 178.214 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -78.98 -46.22 18.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.819 -179.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.796 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.3 ptmt -47.2 -32.84 4.77 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.581 0.705 . . . . 0.0 109.804 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.56 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -95.84 -60.07 1.72 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.295 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.492 HD22 ' HA ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -64.5 -91.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.963 -179.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.478 ' H ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.409 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.678 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.734 0.302 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.542 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.55 33.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.273 0.558 . . . . 0.0 110.943 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.39 -33.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.19 178.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.591 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -120.83 -49.97 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.221 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.678 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.7 m -48.11 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.855 0.836 . . . . 0.0 111.375 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.635 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -90.28 -42.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.708 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.665 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.4 t-80 -57.24 -22.71 43.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.091 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 16.8 t0 -66.03 -59.8 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.324 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.718 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -65.04 -7.54 12.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.291 0.567 . . . . 0.0 109.664 178.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.665 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.6 tttm -77.87 -40.53 39.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.6 OUTLIER -88.19 -108.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.57 -179.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.654 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 27.9 m-85 -120.72 45.69 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 111.365 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.68 -3.98 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.774 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.654 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -46.64 -52.57 13.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.87 0.367 . . . . 0.0 110.417 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.493 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.87 9.75 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.771 179.188 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -75.34 10.31 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -120.1 -3.48 10.09 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -120.6 -69.43 0.84 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.07 -42.78 2.47 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.173 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.529 ' N ' ' HG2' ' B' ' 30' ' ' ARG . . . -55.29 0.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.699 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.66 -48.67 3.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.746 0.307 . . . . 0.0 110.487 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.869 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.28 -12.79 1.75 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.224 0.535 . . . . 0.0 109.662 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 5.7 mmmt -58.9 -40.73 85.34 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.665 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -77.75 -35.28 51.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.064 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.869 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.572 0.225 . . . . 0.0 111.401 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.651 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.51 -74.19 0.62 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.851 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.09 -25.86 5.24 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.289 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.93 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.5 p -38.73 -42.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.541 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.16 -46.58 0.15 Allowed Glycine 0 CA--C 1.497 -1.071 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.26 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -121.19 -4.4 9.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.151 -0.525 . . . . 0.0 110.162 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.4 m-85 -83.71 -36.48 23.66 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.477 -0.489 . . . . 0.0 112.277 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.93 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.4 pttt -58.25 -22.09 50.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.576 0.703 . . . . 0.0 109.706 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -111.44 -60.7 1.81 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.319 -178.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -68.82 -92.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.931 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.507 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.642 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.527 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.07 32.34 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.337 0.589 . . . . 0.0 110.849 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -129.58 -31.14 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.763 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.501 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -122.27 -59.4 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.135 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.642 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 2.0 m -39.2 -65.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.552 0.692 . . . . 0.0 112.619 -179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 2.7 tp -101.64 -40.1 7.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.572 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.8 t-80 -61.57 -14.25 28.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.478 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 13.2 t0 -67.04 -48.21 69.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.1 -0.375 . . . . 0.0 111.835 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -64.22 -4.26 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.442 0.639 . . . . 0.0 109.584 178.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 20.3 ttmt -93.56 -45.06 7.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.217 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -72.0 -109.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.714 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -120.22 46.58 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.107 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.955 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.92 -0.68 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.509 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -37.07 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.538 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.52 -3.34 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.607 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.955 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.6 mt-10 -74.34 11.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.73 . . . . 0.0 109.841 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 26' ' ' PHE . 4.1 mm-40 -120.47 -7.58 9.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -120.63 -73.43 0.65 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.513 -1.221 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.697 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -39.48 2.75 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.697 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -55.94 -8.1 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.697 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -94.19 -49.46 5.73 Favored 'General case' 0 CA--C 1.509 -0.605 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.338 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.914 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -49.9 -14.65 0.15 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.167 0.508 . . . . 0.0 110.509 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.531 ' HG3' ' C ' ' B' ' 31' ' ' ALA . 1.9 mttm -60.61 -46.29 90.8 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.541 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -71.85 -34.54 69.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.349 178.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.914 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.17 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.602 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.571 0.224 . . . . 0.0 111.442 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.712 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.43 -74.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.827 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.3 -24.9 5.34 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.99 -40.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.34 -48.28 0.21 Allowed Glycine 0 CA--C 1.498 -1.027 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 2.0 m-85 -121.51 -3.58 9.35 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.333 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.608 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -83.53 -32.95 25.61 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.811 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.902 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.31 -17.33 58.45 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.431 0.634 . . . . 0.0 109.329 178.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -119.23 -65.81 1.13 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.306 -178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.551 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 2.0 t-20 -62.76 -84.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.454 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.705 0.288 . . . . 0.0 111.101 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.563 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.65 31.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.274 0.559 . . . . 0.0 111.152 -179.86 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.543 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.24 -33.12 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.787 178.541 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -120.95 -55.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.199 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.712 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 2.7 m -40.64 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.711 0.767 . . . . 0.0 112.194 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.563 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.8 tp -99.13 -39.76 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.309 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.711 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 9.5 t-80 -62.53 -16.74 57.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.01 -0.996 . . . . 0.0 112.725 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.509 ' HB2' HD12 ' B' ' 15' ' ' ILE . 51.0 t0 -69.54 -48.54 60.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.922 -0.486 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.0 -12.97 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.214 0.53 . . . . 0.0 110.089 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.711 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -55.28 -28.74 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.287 179.441 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -120.66 -105.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.688 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 82.9 m-85 -121.12 66.9 0.87 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.647 0.261 . . . . 0.0 111.66 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.96 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -71.39 -11.34 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.281 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.688 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -47.42 -52.85 15.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.607 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.556 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.37 20.81 11.86 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.96 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.3 5.34 10.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.81 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -120.67 3.34 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.43 -70.83 0.77 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.646 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.707 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -121.81 -38.78 2.69 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.707 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.65 8.41 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.694 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -104.75 -45.47 4.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.874 0.368 . . . . 0.0 110.516 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.803 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -55.28 -11.79 0.85 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 109.797 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' B' ' 30' ' ' ARG . 26.4 mmtp -60.99 -41.48 96.56 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.631 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.8 m95 -78.41 -30.79 47.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.308 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.803 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.212 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.681 0.276 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.625 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.15 -73.58 0.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 111.534 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.39 -27.36 4.83 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.4 p -38.57 -44.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.507 ' H ' ' CE ' ' A' ' 1' ' ' MET . . . -33.87 -42.6 0.25 Allowed Glycine 0 CA--C 1.501 -0.826 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -120.05 -7.55 9.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.438 178.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -77.88 -46.95 19.89 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 2.4 ptmt -47.65 -33.16 6.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.65 0.738 . . . . 0.0 109.82 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.03 -57.11 2.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.189 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 5.0 t-20 -63.66 -80.03 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.673 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.591 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.581 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.715 0.293 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -78.6 35.14 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.305 0.574 . . . . 0.0 110.54 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -133.87 -33.56 1.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.813 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.626 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.3 -59.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.306 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -39.31 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.84 0.829 . . . . 0.0 111.824 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.671 ' N ' HG22 ' B' ' 16' ' ' THR . 2.3 tp -93.01 -41.42 12.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.136 -1.393 . . . . 0.0 112.749 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.756 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.5 t-80 -63.14 -11.75 22.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.597 -177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 12.7 t0 -70.17 -45.66 66.24 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.813 -0.554 . . . . 0.0 111.275 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -68.2 -12.08 60.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.234 0.54 . . . . 0.0 110.272 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.756 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 11.3 tttm -61.29 -48.49 81.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -90.4 -109.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.91 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.705 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 75.5 m-85 -120.51 58.6 0.93 Allowed 'General case' 0 C--O 1.231 0.102 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.954 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.58 -9.48 19.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.256 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.705 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -45.87 -43.19 13.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.483 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.88 0.03 10.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.219 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.954 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.4 mt-10 -75.37 12.78 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.25 0.548 . . . . 0.0 110.668 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.2 mt-10 -117.81 -8.22 10.86 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -120.86 -67.2 0.99 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.418 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -120.69 -45.05 2.42 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -53.97 -1.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -103.0 -47.24 4.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.281 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.926 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -57.38 -10.94 1.55 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.224 0.535 . . . . 0.0 109.694 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' C ' ' B' ' 31' ' ' ALA . 16.3 mmmt -61.36 -39.13 89.48 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.568 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.0 m95 -79.26 -34.75 42.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.827 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.926 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.585 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.584 0.231 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.658 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.6 -73.61 0.64 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.817 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.85 -25.87 5.33 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.671 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.779 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.1 p -38.82 -42.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.585 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.98 -44.97 0.39 Allowed Glycine 0 CA--C 1.501 -0.797 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -120.26 -4.03 9.98 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.126 177.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.9 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.2 OUTLIER -82.97 -43.52 16.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.025 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.779 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -52.46 -25.6 10.56 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.51 0.672 . . . . 0.0 109.821 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -105.93 -56.43 2.18 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.703 -178.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.8 t-20 -66.01 -54.3 27.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.973 0.416 . . . . 0.0 111.866 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.473 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.62 0.247 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.487 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -75.07 33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 111.109 -179.763 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -138.01 -31.02 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.523 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.484 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -121.88 -43.81 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.158 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.9 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.3 m -54.86 -71.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.872 0.844 . . . . 0.0 111.759 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.59 ' N ' HG22 ' B' ' 16' ' ' THR . 2.0 tp -94.4 -43.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 114.05 -1.432 . . . . 0.0 112.946 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.868 ' HA ' ' HE2' ' B' ' 21' ' ' LYS . 1.4 t-80 -55.34 -27.48 47.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.914 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 20.8 t0 -74.03 -47.35 37.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.629 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -58.94 -12.92 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.095 0.474 . . . . 0.0 110.583 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' B' ' 18' ' ' HIS . 43.6 mttm -62.04 -67.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.813 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -59.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.155 -1.384 . . . . 0.0 112.372 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.434 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 0.4 OUTLIER -120.29 44.51 2.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -178.62 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.857 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -61.3 -7.07 2.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.155 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.84 26.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 109.918 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.94 13.86 11.46 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.55 178.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.857 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.58 15.59 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -121.81 -15.27 7.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.709 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.4 -55.95 1.92 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.667 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.709 ' HG3' ' HE3' ' B' ' 34' ' ' LYS . 6.3 tpp180 -111.15 -65.39 1.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -178.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -49.46 -7.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.735 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -95.46 -47.03 6.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.64 -12.84 0.82 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.268 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.709 ' HE3' ' HG3' ' B' ' 30' ' ' ARG . 25.9 mmtp -60.12 -41.94 93.7 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.617 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -77.19 -35.3 55.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.67 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 1.5 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.208 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.581 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.685 0.278 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.629 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.48 -73.96 0.63 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.827 -179.022 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.811 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.15 -25.92 5.2 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.66 -42.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.99 -45.02 0.17 Allowed Glycine 0 CA--C 1.501 -0.783 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.416 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.43 -7.61 9.7 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.039 178.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' B' ' 16' ' ' THR . 3.0 m-85 -83.04 -26.21 31.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.848 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -67.74 -24.05 65.32 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.551 ' HG3' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.41 -67.66 0.98 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.54 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 2.2 t-20 -58.22 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.558 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.617 HH22 ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.37 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.64 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.625 0.25 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.566 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 110.984 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -132.33 -29.84 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.164 179.139 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.528 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -122.05 -58.95 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.087 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' B' ' 12' ' ' LYS . 1.2 m -40.9 -61.1 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.667 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 1.1 tp -104.36 -43.29 8.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.818 -176.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.62 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 2.1 t-80 -57.2 -13.27 2.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.13 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 11.4 t0 -75.61 -38.65 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 12.1 ptm180 -65.98 -8.13 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 109.755 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.62 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 7.4 mtpt -72.31 -59.59 2.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.706 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 23' ' ' PHE . 0.9 OUTLIER -64.05 -117.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.9 -179.033 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 1.7 m-85 -120.68 49.19 1.49 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.285 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.48 -9.79 9.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.476 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -44.85 -55.32 5.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.166 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.661 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.2 OUTLIER -120.42 22.15 11.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 178.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.905 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -79.44 8.48 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.422 0.629 . . . . 0.0 110.363 179.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -121.02 -1.75 9.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.443 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -121.03 -63.83 1.3 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.96 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.556 ' HD2' ' HE2' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -120.62 -48.45 2.28 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.782 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -54.22 -2.33 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.704 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -98.03 -46.42 5.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.822 0.344 . . . . 0.0 110.785 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.86 -12.06 0.74 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.249 0.547 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.782 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 22.0 mmtp -59.72 -42.12 92.41 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.635 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.6 m95 -76.64 -34.14 58.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.281 -1.781 . . . . 0.0 109.996 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.879 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.241 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.645 0.26 . . . . 0.0 111.355 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.639 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.7 -74.15 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.82 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.56 -26.92 5.24 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.43 -43.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.58 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.49 -44.4 0.19 Allowed Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.28 -7.25 9.81 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.278 178.038 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.698 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.5 OUTLIER -80.03 -42.1 24.45 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.86 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.82 -20.61 6.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.327 0.584 . . . . 0.0 109.761 179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.565 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -109.89 -66.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -55.42 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.1 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' OXT' HD11 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.931 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.635 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.354 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -77.8 32.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.309 0.576 . . . . 0.0 110.932 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -133.49 -29.71 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.078 179.048 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.567 HG23 ' H ' ' B' ' 16' ' ' THR . 0.7 OUTLIER -121.44 -57.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.065 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.8 m -43.07 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.849 0.833 . . . . 0.0 111.996 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.596 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.17 -41.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.135 -1.393 . . . . 0.0 113.027 -177.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 21' ' ' LYS . 6.6 t-80 -61.03 -16.9 48.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.028 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 20.8 t0 -73.62 -43.99 58.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.716 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.449 ' H ' ' HG3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -63.74 -13.44 43.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.425 0.631 . . . . 0.0 109.599 179.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 1.9 mtpt -72.29 -58.8 3.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.01 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -62.85 -121.4 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.043 -178.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.418 ' H ' ' HB2' ' B' ' 22' ' ' GLU . 1.3 m-85 -121.29 43.67 2.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.628 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -59.68 -11.36 4.87 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.499 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -47.1 -52.05 16.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.888 179.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.8 22.19 11.2 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.881 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -85.72 14.51 5.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.573 0.701 . . . . 0.0 110.146 179.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -121.15 -6.59 9.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.662 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.01 -56.96 1.9 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.434 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' B' ' 32' ' ' ARG . 9.9 tpp85 -120.24 -57.16 1.95 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.928 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -50.5 -6.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.72 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -96.66 -47.48 5.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.879 0.371 . . . . 0.0 110.243 179.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -53.77 -13.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.169 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.928 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 2.6 mmtp -59.01 -42.33 89.85 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.642 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -77.49 -34.25 54.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.383 -1.735 . . . . 0.0 109.994 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.944 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HE2' ' CG1' ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.642 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.76 -74.51 0.61 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.748 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.5 -25.02 5.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.364 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.739 ' HB ' HG21 ' B' ' 16' ' ' THR . 1.0 OUTLIER -38.7 -43.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.344 0.403 . . . . 0.0 111.866 -179.335 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -33.44 -44.22 0.27 Allowed Glycine 0 CA--C 1.502 -0.725 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -118.2 -8.36 10.64 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.439 177.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.756 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -78.36 -42.48 30.32 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HB3' HG23 ' A' ' 4' ' ' VAL . 1.3 ptmt -50.36 -33.77 21.66 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.538 0.685 . . . . 0.0 109.756 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.51 -50.21 5.31 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.283 -179.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.683 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -69.79 -88.2 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.805 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' B' ' 19' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.894 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.51 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.694 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.553 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -76.61 33.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.148 0.499 . . . . 0.0 110.81 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -135.99 -34.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.287 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.583 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -120.64 -53.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.952 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.756 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.1 m -43.27 -71.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.615 0.721 . . . . 0.0 111.851 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.648 ' N ' HG22 ' B' ' 16' ' ' THR . 2.5 tp -99.53 -39.69 7.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.435 -1.257 . . . . 0.0 112.623 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.622 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 3.5 t-80 -60.91 -25.04 66.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.527 -177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 50.7 t0 -62.97 -54.07 44.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.223 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -75.13 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.24 0.543 . . . . 0.0 110.373 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.622 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -57.92 -33.16 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.872 179.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.67 -98.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.132 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.74 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 60.2 m-85 -121.52 66.87 0.89 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -69.56 -6.36 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 0.0 110.793 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.74 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -49.85 -53.4 25.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.477 ' C ' ' HB3' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -107.28 0.53 23.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.713 179.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.7 mt-10 -75.67 15.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.442 0.639 . . . . 0.0 110.295 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 26' ' ' PHE . 5.7 mm-40 -121.07 -8.28 9.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.627 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -121.21 -65.55 1.13 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -120.88 -46.56 2.33 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' N ' ' B' ' 27' ' ' GLU . . . -55.07 0.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.714 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -105.18 -46.69 4.17 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.875 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.67 -13.06 2.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.341 0.591 . . . . 0.0 109.599 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 4.8 mmmm -60.34 -39.15 86.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.54 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.9 m95 -80.52 -33.68 36.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.007 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.875 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.28 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.636 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.528 0.204 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.663 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.837 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.08 -25.03 5.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -39.27 -41.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.636 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -32.18 -46.14 0.22 Allowed Glycine 0 CA--C 1.497 -1.043 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -120.98 -4.03 9.61 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.178 178.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 3' ' ' LYS . 3.5 m-85 -85.32 -34.23 21.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.223 -178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -60.99 -21.1 63.22 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.53 0.681 . . . . 0.0 109.468 179.083 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.42 -64.12 1.35 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.312 -178.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.566 ' H ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -67.05 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.475 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.602 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.766 0.317 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.543 ' HG ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.18 30.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.346 0.593 . . . . 0.0 110.996 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.531 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -129.12 -30.72 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.816 178.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.515 HG23 ' H ' ' B' ' 16' ' ' THR . 0.3 OUTLIER -121.59 -59.36 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.372 179.446 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.663 HG21 ' HZ3' ' A' ' 2' ' ' TRP . 1.3 m -39.58 -64.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.629 0.728 . . . . 0.0 112.669 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.543 HG21 ' HG ' ' B' ' 13' ' ' LEU . 2.3 tp -101.78 -40.91 7.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.44 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.605 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 7.3 t-80 -62.41 -14.98 46.32 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.334 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 12.5 t0 -65.24 -54.47 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.635 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.584 ' HA ' ' CB ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -63.31 -1.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -93.21 -54.98 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.509 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 1.1 pt-20 -66.91 -105.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.633 -1.167 . . . . 0.0 112.566 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.763 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 8.6 m-85 -120.54 45.04 2.31 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -65.29 -6.49 9.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.54 0.21 . . . . 0.0 111.181 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.763 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.93 -50.59 34.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.253 179.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.537 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.19 14.63 12.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.95 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -78.05 9.69 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.328 0.585 . . . . 0.0 109.966 178.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -120.99 -0.21 10.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.7 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -120.47 -71.14 0.75 Allowed 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.619 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.73 -38.47 2.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 -179.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.619 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.98 8.19 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -109.08 -46.44 3.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.409 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.867 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -56.72 -13.64 2.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.486 ' HD3' ' HD3' ' B' ' 30' ' ' ARG . 5.8 mmmm -57.67 -40.51 79.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.623 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.1 m95 -79.35 -32.76 43.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.185 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.867 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.247 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.529 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.601 0.239 . . . . 0.0 111.476 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.64 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.28 -73.09 0.66 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 111.603 -178.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -121.16 -28.13 4.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.2 p -38.38 -46.27 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.74 -41.69 0.19 Allowed Glycine 0 CA--C 1.502 -0.735 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.368 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -118.58 -10.8 10.0 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.543 -0.328 . . . . 0.0 110.294 178.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.808 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.47 -47.94 13.56 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.642 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -47.37 -26.93 1.43 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.547 0.689 . . . . 0.0 110.232 -179.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.562 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -105.33 -40.74 5.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.675 -178.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -79.67 -76.36 0.22 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.209 0.528 . . . . 0.0 111.576 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.223 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.65 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.581 ' HA ' ' CG2' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -76.7 35.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.847 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.2 OUTLIER -134.92 -33.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 179.207 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.458 HG23 ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -122.39 -44.44 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.348 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.808 HG23 ' HB3' ' A' ' 7' ' ' PHE . 2.5 m -53.93 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.104 0.954 . . . . 0.0 111.692 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.696 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 2.0 tp -91.09 -41.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.705 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.638 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 6.4 t-80 -61.81 -10.52 9.27 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.509 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.607 ' C ' ' H ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -72.63 -34.37 67.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 ptm180 -74.09 21.82 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.58 0.705 . . . . 0.0 109.437 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.7 tttm -120.26 -38.58 2.89 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.641 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.2 OUTLIER -78.24 -102.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.583 -179.154 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.7 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 49.8 m-85 -120.52 36.27 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 1.011 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.42 -8.79 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.7 ' HD3' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -50.21 -44.02 53.01 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.802 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.627 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -117.66 7.11 12.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.073 179.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 1.011 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -75.53 8.45 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.135 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' B' ' 26' ' ' PHE . 2.9 mm-40 -120.49 -4.93 9.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.483 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.89 -65.85 1.11 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.037 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.77 -46.81 2.34 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.801 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -53.5 -3.27 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.711 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -97.41 -46.38 6.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.881 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -54.61 -12.92 0.83 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.186 0.517 . . . . 0.0 110.111 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.801 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 15.4 mmtp -59.66 -41.56 90.86 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.652 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -78.23 -33.31 49.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.05 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.881 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.225 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.542 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.641 0.258 . . . . 0.0 111.346 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.666 ' HE3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.68 -73.49 0.64 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.828 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.73 -27.06 5.14 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.3 p -38.09 -42.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 123.405 0.441 . . . . 0.0 112.153 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.59 ' O ' ' HD3' ' A' ' 9' ' ' ARG . . . -33.1 -45.66 0.28 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -120.19 -5.53 9.95 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.183 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.721 ' HB3' HG23 ' B' ' 16' ' ' THR . 0.3 OUTLIER -80.68 -44.64 18.46 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 2.0 ptmt -50.96 -28.36 9.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.629 0.728 . . . . 0.0 110.295 179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -104.98 -50.56 3.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.852 -177.336 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.626 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -74.25 -68.43 0.53 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.02 -179.338 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.427 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.7 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.748 0.308 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.6 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.1 OUTLIER -76.54 33.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.21 0.528 . . . . 0.0 110.733 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -135.6 -33.63 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.206 179.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.574 ' O ' HD12 ' B' ' 15' ' ' ILE . 0.7 OUTLIER -121.24 -48.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.052 179.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.721 HG23 ' HB3' ' A' ' 7' ' ' PHE . 1.4 m -48.65 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.695 0.76 . . . . 0.0 111.419 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.647 ' N ' HG22 ' B' ' 16' ' ' THR . 2.8 tp -91.91 -41.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.361 -1.29 . . . . 0.0 112.605 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.625 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 4.7 t-80 -58.08 -28.16 64.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.361 -177.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.3 t0 -61.58 -61.9 2.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.442 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.669 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -62.53 -8.79 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.327 0.584 . . . . 0.0 109.968 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 9.8 tttp -83.96 -42.47 16.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.271 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -81.7 -107.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -121.12 40.99 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.982 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -62.95 -12.1 23.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -42.26 59.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.534 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.26 3.31 10.86 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.982 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.1 OUTLIER -73.97 8.4 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.238 0.542 . . . . 0.0 110.602 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' B' ' 26' ' ' PHE . 3.8 mm-40 -120.18 -3.02 10.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -120.64 -69.51 0.84 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.577 ' HG3' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.63 -38.73 2.83 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.577 ' N ' ' HG3' ' B' ' 30' ' ' ARG . . . -61.63 10.06 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -111.07 -45.3 3.46 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 110.18 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.858 ' HA ' ' HB2' ' B' ' 36' ' ' ASP . . . -58.86 -11.75 3.64 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HE2' ' HD2' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -60.41 -39.09 86.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 176.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.606 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 2.3 m95 -80.12 -32.69 39.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.946 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.858 ' HB2' ' HA ' ' B' ' 33' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.587 ' HE3' ' H ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.65 ' HZ3' HG21 ' B' ' 16' ' ' THR . 0.0 OUTLIER -120.46 -74.0 0.63 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -120.4 -26.88 5.31 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 8' ' ' LYS . 1.4 p -38.24 -41.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.587 ' H ' ' HE3' ' A' ' 1' ' ' MET . . . -31.62 -45.14 0.15 Allowed Glycine 0 CA--C 1.501 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.474 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -120.17 -10.11 9.44 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.227 -0.486 . . . . 0.0 110.042 177.631 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.68 ' O ' ' HA ' ' B' ' 16' ' ' THR . 4.1 m-85 -80.17 -23.14 41.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.131 0.491 . . . . 0.0 112.133 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.797 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.34 -34.09 76.6 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.685 ' HG3' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -103.33 -65.93 0.97 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.205 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.559 ' H ' HH11 ' A' ' 9' ' ' ARG . 1.0 OUTLIER -61.25 -88.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.932 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' NH2' ' HB3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.371 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.646 ' O ' ' HB ' ' B' ' 16' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.56 ' H ' ' HD2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -78.24 32.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.55 ' C ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -132.63 -32.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.13 179.13 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.44 HG23 ' H ' ' B' ' 16' ' ' THR . 0.2 OUTLIER -121.5 -57.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.12 179.481 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 7' ' ' PHE . 1.2 m -40.85 -60.6 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.505 0.669 . . . . 0.0 112.688 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.541 ' CG2' ' HA ' ' B' ' 13' ' ' LEU . 1.2 tp -104.82 -43.07 7.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.321 -176.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.722 ' O ' ' HB3' ' B' ' 21' ' ' LYS . 2.7 t-80 -57.72 -12.67 3.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.588 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 10.0 t0 -71.89 -50.79 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.972 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -65.65 -3.89 5.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.236 0.541 . . . . 0.0 110.138 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.722 ' HB3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -78.99 -49.19 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -109.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.659 ' HD1' ' HD3' ' B' ' 25' ' ' LYS . 42.1 m-85 -121.39 46.81 1.97 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -64.48 -7.44 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.633 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.659 ' HD3' ' HD1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -48.48 -51.33 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.519 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.544 ' HD1' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -120.48 18.18 12.1 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.962 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -77.64 8.29 4.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.419 0.628 . . . . 0.0 110.681 179.307 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -121.03 0.46 10.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.623 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -120.48 -69.45 0.84 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.587 ' HG2' ' N ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -120.81 -40.33 2.65 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.928 -179.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . . . -61.1 8.29 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.675 ' HD2' ' O ' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -110.23 -45.96 3.5 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 120.882 0.372 . . . . 0.0 110.322 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.12 -14.73 1.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.446 ' HB2' ' CE3' ' B' ' 35' ' ' TRP . 1.3 mmmt -58.14 -43.36 87.29 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.654 ' HE1' ' CD ' ' B' ' 27' ' ' GLU . 1.5 m95 -80.8 -72.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.142 178.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.929 178.555 . . . . . . . . 1 1 . 1 stop_ save_