data_2lx0_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 2lx0 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 4' ' ' THR . . . . . 0.552 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.761 0.315 . . . . 1.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.552 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.12 -21.59 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.148 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.33 -57.01 3.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.896 0.379 . . . . 1.0 110.605 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.03 -5.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.957 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -106.79 -36.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.651 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.75 -45.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.57 -66.87 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.788 0.328 . . . . 1.0 110.221 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.91 -13.38 0.87 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.92 -26.36 13.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.268 -0.466 . . . . 1.0 110.358 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.1 t -115.05 -54.92 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.608 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.11 -46.85 5.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.861 0.362 . . . . 1.0 110.054 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -65.23 -31.54 72.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.58 2.51 56.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.57 -60.89 1.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.44 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.7 t80 -40.59 -48.37 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -70.58 -57.86 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.726 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.07 -53.11 4.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.76 -41.91 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.18 -48.51 58.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.43 -17.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 1.0 110.308 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -106.47 -73.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.506 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.51 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.079 0.862 . . . . 1.0 112.126 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.15 -64.31 1.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 1.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -47.75 -10.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.93 -51.2 2.79 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 121.052 -0.259 . . . . 1.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.29 -42.62 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 1.0 110.93 -179.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -74.61 -13.9 60.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.611 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.25 179.806 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.536 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.8 t . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.779 0.324 . . . . 1.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.58 -22.23 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.147 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.552 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.43 -57.32 3.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.486 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -4.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.027 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -107.68 -37.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.18 -45.53 5.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.538 -0.542 . . . . 1.0 109.538 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.66 -66.67 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.8 0.333 . . . . 1.0 110.227 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.09 -13.23 0.92 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.2 tp -102.79 -26.43 13.15 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.265 -0.467 . . . . 1.0 110.299 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 71.1 t -114.07 -54.99 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.682 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.26 -48.75 6.73 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.57 -30.45 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.5 mt -95.8 5.03 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.636 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.82 -59.49 1.35 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.341 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.4 t80 -39.83 -48.94 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.631 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -72.35 -51.97 18.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.5 -54.29 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -81.11 -38.67 26.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.703 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -47.02 66.24 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.11 -17.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 1.0 110.243 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.5 t90 -106.63 -73.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.4 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.066 0.854 . . . . 1.0 111.942 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.42 -63.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.908 0.385 . . . . 1.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -48.59 -8.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.645 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -115.35 -51.19 2.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.657 0.265 . . . . 1.0 110.862 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.26 -44.2 13.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.836 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.66 -15.89 61.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.561 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.538 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.51 -21.88 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.18 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.56 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.47 -57.0 3.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -6.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.959 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -105.76 -37.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.759 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.31 -45.49 4.94 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.6 -66.66 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.251 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.01 -13.17 0.86 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.4 tp -102.97 -26.62 13.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.365 -0.418 . . . . 1.0 110.319 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.3 t -114.77 -55.18 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.627 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.64 7.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.87 -30.79 71.84 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.2 mt -95.82 6.65 48.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.505 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -127.23 -59.66 1.23 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.437 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.94 -49.31 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.72 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -72.24 -50.2 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.614 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -80.78 -37.22 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.32 -45.7 82.28 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.71 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 1.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.4 t90 -107.63 -74.04 0.67 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.412 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.6 -57.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.948 0.78 . . . . 1.0 111.981 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.0 m-85 -75.36 -64.23 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.89 0.376 . . . . 1.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.2 mmtm -47.51 -11.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.686 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.54 -51.2 2.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.07 -0.252 . . . . 1.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.33 -42.28 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 1.0 110.942 -179.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.03 -13.61 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.312 179.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.567 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.711 0.291 . . . . 1.0 110.505 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.567 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.77 -25.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.982 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.7 -65.46 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -48.51 -14.76 0.07 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.065 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -98.19 -39.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.063 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -110.5 -46.42 6.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.87 -66.89 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 110.218 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.95 -13.63 0.94 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.2 -25.64 13.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.39 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 75.4 t -111.36 -53.56 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.729 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -49.48 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.013 -0.365 . . . . 1.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.61 -30.98 71.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -96.17 6.52 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.385 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.5 m -141.85 -73.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.49 -48.76 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.488 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -73.12 -51.15 19.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.49 5.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.42 -37.46 25.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.691 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -46.73 70.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.18 -16.93 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.73 -74.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.497 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.38 -56.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.021 0.825 . . . . 1.0 112.067 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.46 -64.54 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 1.0 110.966 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.82 -10.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.662 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.11 -51.34 2.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.654 0.264 . . . . 1.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.33 -42.98 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.913 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.05 -14.38 60.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.282 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.558 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.9 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 1.0 110.434 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.8 -21.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.294 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.01 -65.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.037 0.446 . . . . 1.0 110.338 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -50.16 -9.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.135 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -102.24 -36.2 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.939 -0.305 . . . . 1.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.42 -44.51 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.783 0.325 . . . . 1.0 110.255 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.57 -14.08 0.92 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 109.399 -1.48 . . . . 1.0 109.399 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.1 tp -101.3 -26.55 13.59 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.235 -0.482 . . . . 1.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.7 -57.17 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.645 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -43.22 5.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.097 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.27 -32.5 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.95 1.46 57.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.288 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.47 -62.58 1.41 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.282 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.43 -42.18 4.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.15 -20.37 59.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.835 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.6 -47.68 8.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 1.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -81.96 -33.14 30.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.569 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.03 -51.01 42.24 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.02 -25.03 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.953 0.406 . . . . 1.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.2 t90 -98.74 -69.72 0.75 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -23.58 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.93 0.769 . . . . 1.0 111.994 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.531 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.3 m-85 -71.29 -64.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.98 0.419 . . . . 1.0 111.36 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -49.03 -7.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 1.0 112.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.531 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.53 -47.38 2.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.704 0.287 . . . . 1.0 110.699 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -88.08 -42.33 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.7 tt0 -75.64 -12.79 60.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.468 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.538 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 1.0 110.679 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.69 -21.7 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.181 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.97 -58.32 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.461 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.34 -7.63 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.872 -0.331 . . . . 1.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -103.58 -37.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.734 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.57 -45.6 5.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.56 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.852 0.358 . . . . 1.0 110.176 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.58 0.83 Allowed Glycine 0 CA--C 1.519 0.284 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.8 tp -102.25 -26.34 13.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.259 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -115.38 -55.81 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -47.39 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.074 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.75 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -93.84 3.98 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.619 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -124.36 -61.41 1.34 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.7 t80 -40.59 -49.59 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.605 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -71.55 -52.45 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.57 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.731 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.37 -38.34 26.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.744 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -46.83 66.59 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.44 -17.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 1.0 110.351 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -106.79 -72.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.424 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.96 -58.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.09 0.869 . . . . 1.0 111.956 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.8 m-85 -73.83 -62.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -50.59 -6.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.776 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.88 -47.31 2.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.673 0.273 . . . . 1.0 110.916 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -88.6 -38.8 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 1.0 110.918 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -80.95 -13.08 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 N--CA 1.462 0.126 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.845 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.566 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.607 0.242 . . . . 1.0 110.569 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.566 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.46 -24.04 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.106 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.97 -66.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.999 0.428 . . . . 1.0 110.25 179.439 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -48.05 -13.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -99.14 -39.07 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.11 -45.06 5.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.86 -67.54 0.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.732 0.301 . . . . 1.0 110.312 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.78 -13.74 0.91 Allowed Glycine 0 CA--C 1.518 0.28 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.5 tp -101.78 -26.43 13.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.245 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.4 t -117.02 -56.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.746 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -41.96 4.58 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.063 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.04 -33.29 73.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.4 mt -90.45 0.16 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.189 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.22 -63.5 1.36 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.9 t80 -43.37 -42.53 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.777 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.15 -21.64 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.861 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.44 -48.5 8.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 1.0 110.463 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -80.81 -36.3 31.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -63.05 -53.14 42.5 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.71 -0.956 . . . . 1.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.1 -38.29 4.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.965 0.412 . . . . 1.0 110.412 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 25.4 t90 -85.29 -67.86 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.084 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.9 mt -24.08 -56.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.846 0.716 . . . . 1.0 112.438 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.2 m-85 -70.99 -65.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.806 -0.358 . . . . 1.0 111.885 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.51 -2.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -121.42 -42.36 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.273 . . . . 1.0 110.535 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.97 -38.11 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.712 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -82.1 -8.54 59.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.642 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.105 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.216 179.721 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.586 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.616 0.246 . . . . 1.0 110.382 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.87 -24.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.055 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.78 -65.33 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.926 0.393 . . . . 1.0 110.422 179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -12.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -99.94 -38.69 6.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -45.6 5.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.71 -67.41 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 1.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.34 -14.41 0.91 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.7 tp -101.38 -26.72 13.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.06 -56.08 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.638 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -42.65 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.092 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 tp -68.18 -33.46 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.0 mt -89.96 -2.69 58.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.361 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.36 -63.43 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.425 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.21 -43.53 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -72.92 -21.49 60.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.867 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.89 -48.4 8.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 1.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.11 -38.72 26.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -60.8 -52.49 52.06 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 1.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 24.9 t90 -89.52 -67.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.101 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -24.77 -55.6 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.899 0.75 . . . . 1.0 112.233 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -71.65 -65.3 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.937 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.42 -1.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.368 0.507 . . . . 1.0 112.368 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -122.44 -43.28 2.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.646 0.26 . . . . 1.0 110.551 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.02 -38.73 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -81.08 -9.44 59.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.436 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.025 179.81 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.583 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.67 0.272 . . . . 1.0 110.561 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.583 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.88 -25.56 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.949 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.09 -69.17 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 1.0 110.134 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -45.69 -14.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.6 t -97.69 -38.78 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.934 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.97 -45.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.06 -66.84 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.746 0.308 . . . . 1.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.11 -13.3 0.95 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.38 -25.56 13.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.301 -0.449 . . . . 1.0 110.341 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 74.3 t -111.52 -53.31 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.56 -49.7 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.028 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.34 -30.42 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 1.0 109.642 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -96.3 6.53 48.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.289 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.7 m -142.48 -73.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.523 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.1 t80 -44.89 -45.19 10.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -77.79 -50.54 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.15 -54.79 4.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.67 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -82.57 -38.7 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.59 -46.57 58.82 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.17 -17.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 1.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.32 -57.3 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.99 0.806 . . . . 1.0 112.089 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -75.19 -64.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.5 mmtt -47.44 -10.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.572 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.68 -51.2 2.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.676 0.274 . . . . 1.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -44.22 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 1.0 111.043 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.59 -16.56 62.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.719 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mptt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.543 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.558 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.67 0.272 . . . . 1.0 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.27 -22.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.212 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.2 -57.34 3.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.502 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.38 -5.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.966 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.456 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.3 t -106.17 -37.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.734 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.97 -45.66 5.11 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.7 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.138 -0.319 . . . . 1.0 110.138 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.23 -13.14 0.99 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.7 tp -102.76 -26.2 13.25 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.393 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.15 -54.97 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.645 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -47.19 7.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.52 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.5 mt -93.3 2.14 56.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.71 -61.57 1.44 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.2 t80 -40.43 -50.21 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.692 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.16 -52.38 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.06 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.758 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.54 -38.15 26.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.81 -46.96 66.69 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.28 -17.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 1.0 110.265 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.488 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.01 -74.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.418 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.91 -57.83 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.02 0.825 . . . . 1.0 112.015 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.6 m-85 -74.87 -64.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -46.98 -10.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.517 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.08 -50.81 2.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.663 0.268 . . . . 1.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -32.81 22.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.21 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' PHE . 3.7 tt0 -86.4 -11.91 50.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.69 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 1.0 110.597 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.603 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.7 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.746 0.308 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.603 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -118.62 -24.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.111 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.573 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.44 -62.98 0.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 1.0 110.461 179.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.78 -8.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.109 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -103.58 -37.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.58 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.02 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.776 0.322 . . . . 1.0 110.315 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.58 -13.76 0.85 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.26 -26.66 13.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.391 -0.405 . . . . 1.0 110.367 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 79.3 t -114.18 -55.05 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.698 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.41 6.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.372 . . . . 1.0 110.102 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.78 -31.14 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.64 3.98 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.41 -60.17 1.42 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.76 -49.84 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.33 -50.48 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.55 -54.07 10.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.96 -36.37 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -56.18 -46.19 86.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -53.58 -15.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 1.0 110.168 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.9 -74.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.468 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.32 -56.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.006 0.816 . . . . 1.0 111.948 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.531 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -75.44 -64.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.944 0.402 . . . . 1.0 110.952 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.1 mmtm -47.8 -10.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.483 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.531 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.74 -50.25 2.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.891 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.36 -40.81 17.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.836 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.08 -12.73 60.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.626 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.296 179.796 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.549 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.767 0.318 . . . . 1.0 110.54 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.549 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.72 -25.75 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.966 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.31 -70.25 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.308 179.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -45.51 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.383 -0.372 . . . . 1.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.5 t -98.15 -36.73 5.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.07 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.18 -44.31 4.32 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.81 -67.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 1.0 110.241 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.6 -14.43 1.0 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.8 tp -100.38 -26.94 13.71 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.251 -0.475 . . . . 1.0 110.239 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.3 t -117.02 -57.17 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.684 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -42.37 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.0 110.052 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -68.76 -33.14 73.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.34 2.06 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.337 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.2 -62.77 1.35 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -43.65 -41.67 4.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.712 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.76 -21.67 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.768 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.35 -48.21 8.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.413 . . . . 1.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -81.06 -35.31 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.472 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.6 -53.19 36.7 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -45.26 -38.86 5.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.011 0.434 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 24.8 t90 -83.62 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -23.09 -56.79 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.945 0.778 . . . . 1.0 112.163 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.7 m-85 -71.39 -60.69 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.592 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -66.12 31.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.087 0.402 . . . . 1.0 112.087 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.06 -53.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.055 -0.35 . . . . 1.0 110.055 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -86.5 -36.99 18.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 1.0 110.598 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.8 tt0 -86.57 -5.11 59.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.234 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--O 1.232 0.155 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.31 179.797 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.59 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.884 0.373 . . . . 1.0 110.222 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.59 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.58 -25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.882 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.85 -66.51 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.299 179.359 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -48.77 -11.97 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -100.86 -38.3 6.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.894 -0.322 . . . . 1.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.29 -45.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.76 -67.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.847 0.356 . . . . 1.0 110.183 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.01 -13.6 0.96 Allowed Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.9 tp -101.49 -26.37 13.59 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.308 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 88.9 t -114.44 -55.38 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.23 -48.59 6.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 1.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.61 -30.84 71.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.595 -0.52 . . . . 1.0 109.595 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -95.01 4.61 53.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.627 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.49 -60.11 1.34 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.395 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.2 t80 -39.46 -49.58 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.731 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.64 -50.9 26.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.519 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.88 -54.24 8.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.643 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -81.01 -37.29 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.707 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.43 -47.15 77.77 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.61 -17.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 1.0 110.171 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.19 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.475 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.88 -57.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.033 0.833 . . . . 1.0 112.072 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.4 m-85 -75.31 -64.98 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.944 0.402 . . . . 1.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.69 -10.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.517 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.15 -50.71 2.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.743 0.306 . . . . 1.0 110.829 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.69 -45.39 13.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.79 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -71.7 -15.5 62.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.709 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.565 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.551 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.723 0.297 . . . . 1.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.551 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.03 -22.18 5.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.21 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.53 -56.6 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.82 -5.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.954 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.99 -38.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.733 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.96 -45.86 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -67.42 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.75 0.309 . . . . 1.0 110.319 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.16 -14.68 0.89 Allowed Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.504 -1.438 . . . . 1.0 109.504 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.9 -26.49 13.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.407 -0.397 . . . . 1.0 110.396 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' THR . 53.5 t -116.19 -55.72 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.66 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -42.53 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.13 -33.19 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.04 -3.6 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.342 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.34 -62.95 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.8 t80 -43.43 -42.4 4.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.55 -21.19 59.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.88 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.66 -48.14 8.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 1.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.07 -35.22 32.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.27 -52.96 39.44 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -33.59 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 1.0 110.369 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.4 t90 -89.57 -68.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.063 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.97 -53.93 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.854 0.721 . . . . 1.0 112.294 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.7 m-85 -72.28 -67.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.594 -0.442 . . . . 1.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -53.4 1.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -127.31 -37.53 2.03 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.865 179.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.61 -40.01 6.83 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 1.0 111.222 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -68.32 -23.73 64.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.758 0.313 . . . . 1.0 111.088 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 1.0 110.77 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.57 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.9 t . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.663 0.268 . . . . 1.0 110.315 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.83 -22.77 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.112 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.563 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.26 -56.93 3.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.339 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -10.49 1.11 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.88 -38.35 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.46 -46.74 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.68 -66.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.301 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.11 -13.09 0.9 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.452 -1.459 . . . . 1.0 109.452 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.49 -25.56 13.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.361 -0.419 . . . . 1.0 110.457 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 96.2 t -112.22 -53.3 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.76 -47.43 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.43 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 1.0 109.626 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -96.79 7.67 46.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.404 -0.816 . . . . 1.0 110.161 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 m -142.2 -73.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.461 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.2 t80 -46.19 -49.0 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -72.75 -50.05 26.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.612 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.49 -54.55 7.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -82.11 -35.37 28.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.534 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.28 -44.62 89.34 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.88 -16.89 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 1.0 110.048 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CE2' ' CD2' ' A' ' 28' ' ' TYR . 27.7 t90 -105.96 -75.5 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.339 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.31 -58.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.062 0.851 . . . . 1.0 112.053 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -72.87 -63.18 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.927 0.394 . . . . 1.0 110.834 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.4 mmtm -51.14 -6.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.716 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.18 -41.73 2.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.596 0.236 . . . . 1.0 111.137 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -42.93 8.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.86 0.362 . . . . 1.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -73.29 -20.55 60.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.661 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.622 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.57 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.735 0.302 . . . . 1.0 110.325 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -107.69 -24.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.089 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.13 -57.22 3.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.72 0.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.014 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -112.93 -35.31 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.462 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.54 -44.03 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.59 -66.83 0.61 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.69 -13.52 0.84 Allowed Glycine 0 CA--C 1.519 0.323 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.4 -26.73 13.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.305 -0.448 . . . . 1.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.2 t -113.58 -54.85 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -47.96 6.22 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.206 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.22 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -94.99 3.99 54.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.617 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.28 -59.54 1.47 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -40.35 -45.42 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.644 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.08 -56.26 5.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.436 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -56.49 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.353 . . . . 1.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -75.29 -46.52 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.246 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -46.42 -56.77 6.94 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.838 0.352 . . . . 1.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.2 t90 -54.43 -66.96 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.33 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -23.46 -67.73 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.887 0.742 . . . . 1.0 112.256 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.637 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.0 m-85 -63.34 -59.98 3.98 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HZ1' ' HZ2' ' A' ' 31' ' ' LYS . 5.3 mptt -60.09 21.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.308 0.484 . . . . 1.0 112.308 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.637 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.84 -47.48 0.18 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.967 -0.382 . . . . 1.0 109.967 179.138 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.54 -33.68 15.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 1.0 110.776 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.0 tt0 -86.88 -5.57 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HZ2' ' HZ1' ' A' ' 27' ' ' LYS . 10.7 mptt . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.672 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.556 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 3.4 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.867 0.365 . . . . 1.0 110.149 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.556 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -105.96 -23.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.928 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.552 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.2 -57.13 3.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.53 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.15 1.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.017 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -113.27 -34.69 2.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.466 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.01 -43.96 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.63 -66.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.176 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.83 -14.54 1.11 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -100.83 -27.61 13.24 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.249 -0.475 . . . . 1.0 110.215 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.3 t -117.54 -58.03 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.646 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.66 5.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.012 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.2 tp -69.1 -32.64 72.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -92.9 5.11 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.109 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -125.33 -62.56 1.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.7 t80 -44.04 -40.93 5.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.644 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.74 -21.66 57.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.792 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.5 -48.2 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.521 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.4 -35.91 34.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.35 -53.88 33.17 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -44.27 -40.04 4.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.825 0.345 . . . . 1.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.614 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.0 t90 -81.61 -71.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.8 mt -20.8 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.08 0.862 . . . . 1.0 112.171 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.597 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.0 m-85 -73.38 -61.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.645 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' CG ' ' HZ3' ' A' ' 31' ' ' LYS . 12.7 mttp -66.57 32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.862 -0.335 . . . . 1.0 111.81 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -154.45 -45.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.013 0.435 . . . . 1.0 109.837 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.87 -30.91 13.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.7 tt0 -94.73 -6.69 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.526 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HZ3' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.575 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.773 0.32 . . . . 1.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -117.88 -23.66 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.21 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.572 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.73 -61.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.591 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.56 -3.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.075 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -108.05 -35.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.529 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.12 -44.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.562 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.89 -66.87 0.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.837 0.351 . . . . 1.0 110.244 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.75 -13.64 0.88 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.413 -1.475 . . . . 1.0 109.413 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.03 -27.03 13.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.384 -0.408 . . . . 1.0 110.228 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.4 t -114.2 -55.77 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.95 -47.91 5.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.48 -31.09 72.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -95.04 4.37 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.585 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.52 -59.92 1.43 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.416 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.2 t80 -40.08 -44.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.62 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -73.88 -58.07 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.61 -56.73 2.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.724 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -74.3 -49.36 23.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -44.06 -57.7 4.7 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -67.57 0.22 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.343 . . . . 1.0 110.415 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.621 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 23.2 t90 -55.74 -66.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.52 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -21.57 -64.52 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.962 0.789 . . . . 1.0 112.311 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.63 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.6 m-85 -68.96 -57.34 5.61 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.3 mptp? -62.5 21.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 1.0 112.064 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.63 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -145.94 -50.62 0.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.12 -39.41 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.566 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -85.1 -4.99 59.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.237 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 C--O 1.232 0.164 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.48 179.752 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.551 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 6.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 1.0 110.202 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.551 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -104.19 -24.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.048 179.651 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.572 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.46 -64.1 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 1.0 110.512 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.11 -8.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.058 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.493 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.63 -37.39 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.25 5.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.25 -67.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.339 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.55 -14.39 0.98 Allowed Glycine 0 CA--C 1.52 0.35 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.77 -26.32 13.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.283 -0.458 . . . . 1.0 110.383 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.1 t -116.14 -56.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -42.33 4.72 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.2 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.84 -32.51 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.2 mt -91.63 -0.47 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.214 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.51 -62.08 1.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.324 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.41 -41.05 8.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.65 -17.07 60.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.825 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.81 -48.79 6.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.179 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.17 -44.7 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.649 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.13 -47.48 67.08 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.96 -1.256 . . . . 1.0 109.96 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -70.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 1.0 110.126 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t90 -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.403 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.8 mt -24.06 -69.72 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.887 0.742 . . . . 1.0 111.945 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.592 ' C ' ' H ' ' A' ' 28' ' ' TYR . 12.5 m-85 -65.46 -50.88 63.7 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.264 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.12 23.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.818 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -149.17 -47.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -36.63 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.811 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -87.04 -4.47 59.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.781 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.572 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 4.0 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.789 0.328 . . . . 1.0 110.747 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -107.49 -21.36 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.156 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.4 -60.32 1.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.42 -8.61 0.36 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.743 -0.383 . . . . 1.0 111.096 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -102.32 -37.4 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.53 -45.45 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.776 0.322 . . . . 1.0 110.251 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.13 -14.11 0.78 Allowed Glycine 0 CA--C 1.518 0.237 0 N-CA-C 109.568 -1.413 . . . . 1.0 109.568 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -101.95 -26.78 13.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.324 -0.438 . . . . 1.0 110.28 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 65.6 t -114.48 -55.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -48.83 6.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.61 -31.04 72.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.3 mt -95.33 5.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.95 -59.74 1.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.348 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 t80 -39.87 -50.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -70.91 -50.6 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.56 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.12 -54.39 8.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -81.11 -36.39 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.617 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -56.16 -46.35 85.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.67 -15.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 1.0 110.156 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.1 t90 -107.89 -74.77 0.65 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.24 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.094 0.871 . . . . 1.0 111.945 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.29 -63.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.956 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 38.0 mmtm -49.09 -8.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.519 -179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.21 -48.49 2.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.748 0.309 . . . . 1.0 110.977 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -87.44 -33.98 18.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.239 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.0 tt0 -86.5 -9.83 55.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.869 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.233 0.196 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.819 -179.779 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.571 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.5 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.722 0.296 . . . . 1.0 110.591 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.571 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.2 -24.4 3.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.14 -64.91 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 1.0 110.314 179.562 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -49.65 -13.71 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -98.44 -38.27 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -46.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.0 -67.19 0.49 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.802 0.334 . . . . 1.0 110.276 179.408 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.53 -13.98 0.88 Allowed Glycine 0 C--N 1.331 0.268 0 N-CA-C 109.519 -1.433 . . . . 1.0 109.519 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.8 tp -101.94 -25.9 13.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.368 -0.416 . . . . 1.0 110.422 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.6 t -110.82 -53.83 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.688 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -49.51 6.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.6 -31.57 71.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.39 7.98 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.361 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.5 m -142.52 -73.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.4 t80 -46.07 -52.01 12.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.414 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -69.88 -49.71 49.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.53 -55.34 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.566 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -82.14 -35.55 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.61 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.26 -45.61 82.24 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.35 -18.09 3.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.391 . . . . 1.0 110.085 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -104.3 -75.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.398 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.13 -59.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.044 0.84 . . . . 1.0 112.085 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -71.53 -63.69 1.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.973 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.6 mmtt -51.6 -6.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.79 -179.138 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.94 -35.83 3.41 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.325 -179.834 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.72 -40.43 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.098 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 1.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.595 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.648 0.261 . . . . 1.0 110.383 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.595 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -115.77 -23.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.151 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.569 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.07 -61.12 1.39 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 1.0 110.471 179.531 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.26 -8.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.1 t -103.39 -37.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.38 -45.73 5.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.746 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.12 -66.99 0.53 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.732 0.301 . . . . 1.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.96 -13.44 0.9 Allowed Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.41 -26.32 13.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.415 -0.393 . . . . 1.0 110.38 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 67.2 t -114.84 -55.15 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.674 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -47.48 5.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 1.0 110.083 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.31 -31.99 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.8 mt -92.57 1.03 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.6 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.14 -61.87 1.5 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.341 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.8 t80 -40.29 -52.08 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -69.05 -51.4 39.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.41 -54.61 7.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.46 -36.09 29.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.66 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.74 -45.77 84.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.3 -17.92 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.388 . . . . 1.0 110.071 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.4 t90 -104.45 -75.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.97 -59.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.948 0.78 . . . . 1.0 112.153 -179.626 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -71.46 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.575 -0.45 . . . . 1.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.7 mmtt -52.29 -5.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.792 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -121.36 -35.54 3.25 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.313 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -104.07 -40.16 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.08 -179.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.05 -23.97 63.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 1.0 110.576 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.605 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.557 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 3.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.727 0.298 . . . . 1.0 110.351 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.557 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.48 -22.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.85 -58.55 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.995 0.426 . . . . 1.0 110.567 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.35 -6.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.066 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.3 t -105.51 -36.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.704 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.44 -45.63 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.758 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.43 -66.91 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.839 0.352 . . . . 1.0 110.369 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.85 -13.41 0.86 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.553 -1.419 . . . . 1.0 109.553 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.4 tp -102.79 -26.4 13.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.481 . . . . 1.0 110.403 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -114.84 -55.05 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.46 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 1.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.49 -31.49 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -93.41 2.33 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.78 -61.48 1.44 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.369 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.1 t80 -40.71 -50.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.569 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -71.08 -50.63 31.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.687 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.64 -53.9 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -82.61 -35.17 27.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -56.59 -47.06 87.23 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.31 -16.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.26 -74.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.424 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -23.32 -58.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.087 0.867 . . . . 1.0 111.965 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.1 m-85 -72.63 -65.94 0.72 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.959 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 31.3 mmtt -46.78 -10.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.653 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.65 -42.12 3.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.927 179.526 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -41.15 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.519 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.7 tt0 -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.326 . . . . 1.0 111.355 -179.384 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.869 -0.333 . . . . 1.0 110.651 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.573 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.719 0.295 . . . . 1.0 110.556 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.573 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.05 -24.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.081 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.49 -66.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 1.0 110.237 179.409 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -47.79 -14.68 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -97.9 -38.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.84 -46.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.878 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.99 -67.02 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.96 -0.296 . . . . 1.0 110.414 179.417 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.84 -13.4 0.86 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.451 -1.46 . . . . 1.0 109.451 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -102.66 -25.79 13.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.327 -0.436 . . . . 1.0 110.378 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 79.8 t -111.5 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.695 179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -49.95 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.059 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.03 -31.36 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.246 0.546 . . . . 1.0 109.629 179.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -95.96 7.34 46.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 m -142.93 -74.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.8 t80 -44.28 -46.6 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.492 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -76.68 -25.98 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.62 49.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.602 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.8 -31.09 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -58.89 -44.69 95.88 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -51.48 -17.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 1.0 110.222 -179.929 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.63 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.547 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -25.33 -59.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.91 0.756 . . . . 1.0 111.752 -179.393 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.3 m-85 -73.8 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.35 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.5 mmtm -54.31 -3.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.57 -179.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -123.45 -49.08 1.92 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.689 0.28 . . . . 1.0 110.529 179.415 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -82.58 -43.98 16.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.815 0.34 . . . . 1.0 110.706 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.41 -7.88 58.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.81 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.888 179.952 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 5.2 t . . . . . 0 C--O 1.231 0.08 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.1 pt -92.84 -31.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.175 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.65 -70.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.648 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -46.7 -12.07 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.0 t -100.78 -37.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.12 -44.78 4.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 179.65 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.255 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.62 -13.81 0.88 Allowed Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.376 -1.49 . . . . 1.0 109.376 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.01 -26.09 13.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.284 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.1 t -115.14 -55.94 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.723 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.01 -47.79 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.786 -0.366 . . . . 1.0 110.084 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.78 -31.19 72.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.72 5.31 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.443 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.29 -60.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.475 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.3 t80 -40.07 -50.54 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -68.11 -56.97 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.41 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.6 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -77.41 -40.95 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.781 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.44 -51.2 49.27 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -46.98 -19.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 1.0 110.323 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.2 t90 -105.35 -71.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.423 179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -24.48 -59.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.078 0.861 . . . . 1.0 112.094 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.9 m-85 -72.97 -59.18 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.322 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.7 mmtt -52.93 -4.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.752 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -122.18 -46.64 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.606 0.241 . . . . 1.0 110.943 179.823 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -87.46 -39.09 15.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 1.0 111.047 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.1 tt0 -82.75 -6.18 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.462 0.163 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.038 -179.838 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.655 ' HG1' ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 1.0 110.308 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.655 ' H ' ' HG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.19 -22.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.16 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.553 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.6 -56.93 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.495 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.78 -5.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.031 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -106.92 -37.56 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.676 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.55 -45.51 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 179.732 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -67.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.102 179.307 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.79 -13.54 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.45 -26.88 13.42 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.251 -0.474 . . . . 1.0 110.366 179.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 90.3 t -110.39 -52.71 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -53.52 5.41 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.562 -0.455 . . . . 1.0 109.863 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.07 -29.73 65.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.2 mt -99.38 12.5 36.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.5 m -135.21 -22.27 1.56 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.36 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ALA . 4.1 t80 -78.31 -48.04 16.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 1.0 110.567 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.1 -49.69 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.27 -43.89 3.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 24.3 m-85 -92.92 -39.21 11.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.425 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.14 -43.84 63.33 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -54.87 -18.32 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 1.0 110.222 179.878 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.0 t90 -105.11 -75.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -21.84 -58.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.048 0.843 . . . . 1.0 112.155 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.7 m-85 -74.3 -65.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -46.5 -13.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.531 -179.189 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.88 -50.19 2.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.0 111.082 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -83.8 -46.29 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.878 -179.235 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -70.77 -4.21 22.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.611 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.637 ' HG1' ' H ' ' A' ' 5' ' ' ILE . 3.1 t . . . . . 0 C--O 1.231 0.084 0 N-CA-C 109.842 -0.429 . . . . 1.0 109.842 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.637 ' H ' ' HG1' ' A' ' 4' ' ' THR . 1.1 pt -99.66 -26.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.303 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.539 ' C ' ' H ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -44.56 -56.8 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.307 179.489 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.01 1.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -115.33 -34.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.91 -43.13 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.511 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -74.3 -67.05 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.936 -0.394 . . . . 1.0 109.936 179.283 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.03 -13.93 0.71 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.428 -1.469 . . . . 1.0 109.428 179.01 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.56 -27.12 13.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.44 -0.38 . . . . 1.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.5 t -110.21 -53.28 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.79 -47.0 7.98 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.29 -30.31 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.301 0.572 . . . . 1.0 109.639 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -98.55 10.19 41.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.17 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.7 m -143.66 -70.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.385 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.8 t80 -50.57 -44.29 56.69 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.7 mm? -80.72 -47.17 14.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.376 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.22 -55.12 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.923 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -85.55 -34.45 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.42 76.59 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.762 -0.935 . . . . 1.0 110.762 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 1.0 110.235 179.85 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.01 -74.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.434 179.586 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -21.86 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.986 0.804 . . . . 1.0 112.017 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.22 -64.98 0.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.732 -0.387 . . . . 1.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -47.49 -10.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.581 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.63 -50.53 2.62 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.788 0.327 . . . . 1.0 110.937 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.28 -40.36 18.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.859 -179.346 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.604 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mptt . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.303 179.776 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.57 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.643 0.259 . . . . 1.0 110.461 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.73 -22.87 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.224 179.76 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.56 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.84 -57.89 3.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 1.0 110.571 179.556 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.01 -5.84 0.5 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.983 -179.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.3 t -106.44 -36.93 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.747 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.48 -45.73 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.626 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.59 -67.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.755 0.312 . . . . 1.0 110.363 179.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.65 -13.67 0.86 Allowed Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.436 -1.466 . . . . 1.0 109.436 179.176 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.9 -26.24 13.19 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.354 -0.423 . . . . 1.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.5 t -116.68 -55.55 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.472 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.35 -43.43 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 1.0 110.099 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.4 -33.19 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.678 -0.49 . . . . 1.0 109.678 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.8 mt -89.11 -3.98 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.34 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.41 -64.46 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.32 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -42.23 -48.26 4.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -72.47 -20.43 61.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -82.8 -47.95 11.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -34.18 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.062 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -58.58 -47.08 92.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.734 -0.946 . . . . 1.0 110.734 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -18.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.035 -0.266 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -107.86 -67.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.0 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -26.34 -53.8 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.967 0.792 . . . . 1.0 111.641 -179.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' A' ' 28' ' ' TYR . 5.4 m-85 -74.34 -65.71 0.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 1.0 111.608 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 4.0 mptp? -46.61 -11.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.618 -0.719 . . . . 1.0 111.54 -178.636 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.93 -49.72 2.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.747 0.308 . . . . 1.0 110.896 -179.833 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.9 -45.35 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.858 -179.532 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.54 -20.23 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.593 179.905 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.591 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.889 0.376 . . . . 1.0 110.378 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.591 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -103.14 -24.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.845 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.548 ' C ' ' H ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -43.88 -57.29 3.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.677 179.54 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 1.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.548 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -114.02 -35.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.55 -43.72 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.461 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.7 -67.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 1.0 110.233 179.178 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.37 -14.37 0.91 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 178.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -101.0 -27.02 13.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.265 179.521 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.8 t -114.31 -56.15 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.768 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -42.78 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.325 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.94 -32.82 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -92.06 2.36 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.253 179.477 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.09 -62.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.299 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.3 t80 -45.67 -41.05 9.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.92 60.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.838 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.06 -48.91 6.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.409 . . . . 1.0 110.099 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.04 -44.5 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.588 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.34 -48.24 65.19 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.926 -1.269 . . . . 1.0 109.926 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -70.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 1.0 110.088 179.576 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.3 t90 -53.15 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.432 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.6 mt -24.12 -69.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.936 0.772 . . . . 1.0 111.999 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' C ' ' H ' ' A' ' 28' ' ' TYR . 13.0 m-85 -66.14 -51.63 56.09 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.524 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -64.0 14.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.026 0.38 . . . . 1.0 112.026 -179.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -140.09 -46.48 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.671 0.272 . . . . 1.0 110.284 179.068 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.1 -42.8 12.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 1.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.8 tt0 -80.49 -5.68 57.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.617 179.871 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.569 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.3 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.726 0.298 . . . . 1.0 110.241 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.569 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.75 -23.56 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.102 179.761 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.58 -63.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 1.0 110.352 179.565 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.05 -9.09 0.08 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.139 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -103.08 -37.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.801 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.84 -45.48 5.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 179.708 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.72 -67.74 0.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.742 0.306 . . . . 1.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.51 -14.1 0.9 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.437 -1.465 . . . . 1.0 109.437 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -101.57 -26.34 13.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.343 -0.428 . . . . 1.0 110.18 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.8 t -116.1 -56.23 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.705 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.37 -42.35 4.58 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.215 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.95 -32.5 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 mt -91.41 -0.71 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.345 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.13 -62.1 1.56 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.288 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.0 t80 -45.61 -40.94 9.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.9 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.855 -179.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.21 -48.67 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 1.0 110.153 179.711 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -45.76 25.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 1.0 109.593 179.471 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.98 -47.98 58.92 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.885 -1.286 . . . . 1.0 109.885 179.162 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 1.0 110.193 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.3 t90 -52.91 -67.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.342 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.9 mt -24.88 -69.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.976 0.797 . . . . 1.0 112.022 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.4 m-85 -66.33 -47.95 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.441 -0.504 . . . . 1.0 111.401 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -69.13 25.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.701 -0.399 . . . . 1.0 111.631 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.597 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.77 -46.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.18 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -45.88 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.513 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -75.52 -4.09 37.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 1.0 109.803 179.549 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.071 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.559 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.7 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.747 0.308 . . . . 1.0 110.284 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.559 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.88 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.105 179.701 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.13 -58.14 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 1.0 110.41 179.58 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.12 -7.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.045 -179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -105.02 -37.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.59 -45.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.705 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.36 -66.69 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.302 179.41 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.42 -13.05 1.08 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 109.383 -1.487 . . . . 1.0 109.383 179.079 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -102.87 -26.03 13.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.313 -0.443 . . . . 1.0 110.327 179.56 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.6 t -116.43 -55.57 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.667 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.6 -41.92 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.06 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -69.03 -32.81 72.59 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.464 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.3 mt -90.8 -1.28 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.288 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -118.86 -62.67 1.49 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -44.79 -41.08 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.828 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -17.92 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.813 -179.56 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -90.56 -48.06 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.819 0.343 . . . . 1.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -79.3 -45.5 19.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.683 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.91 -48.62 51.06 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 109.825 -1.31 . . . . 1.0 109.825 178.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.98 -68.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 1.0 110.018 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.5 t90 -54.74 -68.98 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.487 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 24' ' ' TRP . 3.6 mt -22.63 -65.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.997 0.811 . . . . 1.0 112.025 -179.548 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.8 m-85 -70.04 -51.54 31.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.367 -0.533 . . . . 1.0 111.042 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -67.54 31.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.386 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.6 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -160.03 -44.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 179.281 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.23 -35.46 14.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -87.81 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 1.0 110.073 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.645 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.566 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.735 0.302 . . . . 1.0 110.303 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.566 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.6 -22.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.123 179.794 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.75 -59.2 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.453 179.542 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.97 -4.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.095 -179.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -107.27 -37.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.24 -45.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.634 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -66.92 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.703 0.287 . . . . 1.0 110.257 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.87 -13.4 0.87 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.16 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.5 tp -102.77 -26.54 13.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.318 -0.441 . . . . 1.0 110.325 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.1 t -115.18 -54.43 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -46.62 7.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.83 -31.26 72.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.53 1.21 56.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.635 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.31 -60.32 1.57 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.0 t80 -40.32 -46.69 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.542 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.2 mm? -73.89 -52.22 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.08 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.697 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -80.63 -39.59 27.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.254 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.22 -44.48 57.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.743 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -19.0 2.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.0 110.537 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.6 t90 -106.57 -66.64 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.682 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -26.63 -54.98 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.985 0.803 . . . . 1.0 111.683 -179.432 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 5.8 m-85 -73.27 -66.34 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.487 . . . . 1.0 111.443 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 4.3 mptp? -44.45 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.395 -178.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.58 -49.54 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.191 -179.486 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -84.04 -34.36 24.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.901 0.382 . . . . 1.0 111.04 -179.028 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.3 tt0 -86.57 23.15 1.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.287 -179.792 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.586 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.752 0.311 . . . . 1.0 110.631 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.4 -26.11 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.981 179.669 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.85 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.986 0.422 . . . . 1.0 110.194 179.509 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.31 -15.33 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.032 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -97.61 -38.25 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.947 -179.802 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.48 -45.12 5.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.29 -67.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.716 0.293 . . . . 1.0 110.239 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.44 -13.95 0.85 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.1 -26.71 13.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.26 179.511 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 84.3 t -114.09 -55.43 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.59 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.51 -30.96 72.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.91 4.19 54.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.69 179.731 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.89 -59.98 1.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.452 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.6 -49.85 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -70.88 -50.57 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.75 11.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.41 -35.34 30.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -57.63 -47.24 89.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.76 -18.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.0 109.886 179.886 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -104.08 -76.91 0.58 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.244 179.458 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.4 mt -20.16 -58.84 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.137 0.898 . . . . 1.0 112.006 -179.65 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -73.64 -67.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.201 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.0 mmtt -46.92 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.293 -179.147 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -114.72 -36.44 4.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.691 -0.231 . . . . 1.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tp -103.89 -35.14 8.26 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.4 tt0 -70.79 -23.88 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.633 0.254 . . . . 1.0 111.546 -179.079 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.612 -179.701 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.569 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.698 0.285 . . . . 1.0 110.359 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.569 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.66 -23.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.218 179.687 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.47 -59.7 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.0 110.494 179.484 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.72 -8.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.013 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -104.0 -37.64 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.68 -45.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 179.787 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.15 -66.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.306 179.347 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.93 -13.39 0.88 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 109.441 -1.464 . . . . 1.0 109.441 179.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.0 tp -102.5 -26.21 13.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.338 -0.431 . . . . 1.0 110.377 179.507 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.6 t -114.85 -55.1 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.707 179.704 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.1 -47.86 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.921 -0.4 . . . . 1.0 109.921 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.14 -31.52 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -93.32 1.77 56.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.96 -61.49 1.49 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.313 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 t80 -40.38 -51.35 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -69.82 -52.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.712 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.46 -54.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.673 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -81.34 -37.4 28.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.733 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -54.52 -46.5 73.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.89 -18.61 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 1.0 110.283 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.7 t90 -104.4 -74.07 0.66 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.348 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.28 -60.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.988 0.805 . . . . 1.0 112.212 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.543 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.9 m-85 -71.1 -61.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.419 . . . . 1.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -52.76 -3.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.63 -179.214 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.97 -33.1 2.48 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 121.037 -0.265 . . . . 1.0 111.437 -179.761 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -102.14 -29.95 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 1.0 110.863 -179.055 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -89.68 -10.01 47.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 mptt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.345 0.593 . . . . 1.0 110.054 179.58 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.551 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.9 t . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.696 0.284 . . . . 1.0 110.43 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.551 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.14 -22.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.39 -56.82 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.48 179.555 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -5.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.024 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.23 -36.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.43 -45.78 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 179.665 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.5 -67.01 0.53 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.809 0.338 . . . . 1.0 110.305 179.467 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.89 -13.6 0.92 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.499 -1.44 . . . . 1.0 109.499 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -102.67 -26.16 13.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.317 -0.441 . . . . 1.0 110.349 179.499 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.9 t -116.07 -55.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.25 -43.02 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.157 179.815 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.91 -32.82 73.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.69 -2.69 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.285 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.26 -62.77 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.5 t80 -43.55 -41.65 4.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.811 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.4 -22.2 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.861 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.27 -47.8 9.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.81 0.338 . . . . 1.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -82.4 -43.88 16.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.568 -179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -56.89 -43.69 92.54 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 7.7 t80 -57.48 -11.1 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.975 0.416 . . . . 1.0 109.98 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -112.21 -76.24 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.224 179.392 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.47 -57.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.098 0.874 . . . . 1.0 112.05 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.58 -57.5 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.366 -0.533 . . . . 1.0 111.201 -179.879 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -59.22 1.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.402 -178.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.33 -44.6 2.0 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.707 0.289 . . . . 1.0 110.495 179.134 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 -41.91 9.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.064 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.17 -17.37 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.265 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.531 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 110.166 -0.309 . . . . 1.0 110.166 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -127.19 -24.7 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -39.39 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.906 0.384 . . . . 1.0 111.051 179.537 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -46.39 -13.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.414 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.4 t -97.94 -32.77 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.662 179.518 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.32 -43.82 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 179.406 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.5 -67.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.349 . . . . 1.0 110.218 179.456 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.39 -13.94 0.83 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 109.398 -1.481 . . . . 1.0 109.398 179.148 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -101.6 -27.35 13.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.356 -0.422 . . . . 1.0 110.217 179.558 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.71 -56.08 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.623 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.33 -47.74 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.25 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -94.4 4.91 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.534 179.71 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.57 -60.43 1.32 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -39.94 -49.15 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 179.898 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.89 -50.34 30.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.4 -54.22 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -80.76 -37.1 31.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.41 -45.8 82.45 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.207 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -108.21 -73.98 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.554 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.84 -56.67 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.046 0.841 . . . . 1.0 111.935 -179.556 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.1 m-85 -75.59 -64.24 1.12 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 1.0 110.867 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.8 mmtm -47.54 -10.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.648 -179.239 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.94 -50.91 2.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.716 0.293 . . . . 1.0 111.029 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 1.1 tt -85.31 -44.64 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.922 -179.647 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -71.78 -15.62 62.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.532 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mptt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 179.829 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.261 -0.274 . . . . 1.0 110.261 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.534 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -125.3 -24.83 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-O 120.722 0.296 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.34 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.872 0.368 . . . . 1.0 110.919 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -44.99 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.3 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 22.6 t -96.22 -33.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.785 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.04 -44.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.468 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.17 -66.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.779 0.323 . . . . 1.0 110.19 179.448 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.61 0.84 Allowed Glycine 0 CA--C 1.517 0.217 0 N-CA-C 109.471 -1.452 . . . . 1.0 109.471 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.0 -27.1 13.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.382 -0.409 . . . . 1.0 110.288 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 85.4 t -115.29 -56.06 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.652 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.75 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 1.0 110.006 179.707 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.41 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 179.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.64 5.84 50.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.55 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -126.53 -60.36 1.25 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.441 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.76 -49.26 2.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.84 -50.9 25.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.461 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.35 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.95 -37.46 29.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.07 -47.05 75.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.1 -16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.0 110.32 -179.904 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.9 t90 -107.46 -74.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.522 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.36 -56.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.963 0.79 . . . . 1.0 111.921 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.3 m-85 -75.97 -64.31 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.899 0.381 . . . . 1.0 110.817 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -48.11 -10.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.604 -179.114 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.58 -51.07 2.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 121.062 -0.255 . . . . 1.0 110.966 179.867 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.76 -42.78 13.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 1.0 110.952 -179.581 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.33 -14.12 60.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.267 179.803 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 1.1 t . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.493 0.187 . . . . 1.0 110.832 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.08 -24.42 2.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 120.783 0.325 . . . . 1.0 110.684 -179.704 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.41 -70.68 0.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.052 179.641 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.87 -11.02 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.502 -179.617 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' H ' ' C ' ' A' ' 6' ' ' TRP . 23.6 t -99.16 -34.32 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.538 179.47 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.08 -44.85 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 109.763 -0.458 . . . . 1.0 109.763 179.385 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.8 -66.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.834 0.35 . . . . 1.0 110.237 179.403 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.2 -13.14 0.97 Allowed Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.442 -1.463 . . . . 1.0 109.442 179.191 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -102.75 -25.95 13.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.33 -0.435 . . . . 1.0 110.35 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 78.4 t -111.46 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.724 179.69 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.34 -48.64 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.988 0.423 . . . . 1.0 110.091 179.881 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.35 -31.18 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.245 0.545 . . . . 1.0 109.607 179.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -96.45 7.65 45.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.448 -0.797 . . . . 1.0 110.251 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' VAL . 18.7 m -142.55 -73.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.517 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.76 -48.44 15.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -73.63 -50.93 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.527 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.67 5.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.749 -179.857 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.06 -37.27 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.57 -46.48 73.83 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.52 -16.49 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.918 0.39 . . . . 1.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.463 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -107.22 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.42 -56.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.991 0.807 . . . . 1.0 111.978 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.44 -64.51 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.875 0.369 . . . . 1.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 17.9 mmtt -47.91 -10.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.688 -179.084 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.66 -51.09 2.81 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.011 -0.276 . . . . 1.0 110.981 179.859 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -42.67 14.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.826 0.346 . . . . 1.0 110.947 -179.603 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -74.55 -14.02 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.615 -179.819 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.27 179.81 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.547 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.8 t . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.291 . . . . 1.0 110.27 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -111.37 -22.26 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.279 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.49 -56.44 4.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.54 179.655 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.87 -6.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.021 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -106.25 -37.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.75 -46.0 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.652 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.64 -67.7 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.697 0.284 . . . . 1.0 110.384 179.516 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.17 -14.6 0.88 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 179.241 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.3 tp -101.44 -27.11 13.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.456 -0.372 . . . . 1.0 110.182 179.635 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.8 t -117.9 -57.27 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.629 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.08 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.093 179.722 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.32 -32.91 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -91.61 2.16 56.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.147 179.483 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.4 -62.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.18 -40.53 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.794 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.68 -17.19 59.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.953 -179.529 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.26 -47.4 7.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.823 0.345 . . . . 1.0 110.31 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.81 -37.81 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.487 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.49 59.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 24.0 t80 -55.6 -19.02 8.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.109 0.48 . . . . 1.0 109.983 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 31.9 t90 -99.04 -76.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.57 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.27 -59.64 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.03 0.831 . . . . 1.0 112.307 -179.507 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.2 m-85 -70.47 -62.98 1.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.441 -179.473 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -55.13 0.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -127.43 -34.05 2.29 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.043 -0.263 . . . . 1.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' LEU . 1.3 tt -105.61 -39.25 6.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.303 -179.545 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.57 -21.44 63.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.196 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.01 -179.836 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.564 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.752 0.311 . . . . 1.0 110.267 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.564 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.95 -22.88 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.097 179.722 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.17 -60.93 1.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 1.0 110.432 179.516 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.15 -9.46 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.148 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.2 t -102.94 -37.65 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.799 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.82 -45.94 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 179.812 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.94 -67.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.946 -0.302 . . . . 1.0 110.39 179.468 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.97 -13.46 0.91 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -102.57 -26.74 13.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.378 -0.411 . . . . 1.0 110.226 179.596 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 60.1 t -115.89 -56.6 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -42.23 -42.42 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.756 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.99 -40.12 90.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 178.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 24.0 mt -80.57 -10.38 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.708 179.785 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -109.68 -65.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' ALA . 20.0 t80 -39.22 -41.61 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 6.9 mp -74.22 -53.63 9.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.33 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.62 -49.36 37.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.678 -179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -81.26 -35.32 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.753 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -60.84 -49.53 77.54 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -48.62 -18.4 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.124 0.488 . . . . 1.0 109.819 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.4 t90 -104.41 -74.68 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.359 179.693 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.92 -59.0 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.066 0.854 . . . . 1.0 112.071 -179.577 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -70.86 -62.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 23.1 mmtt -53.75 -1.54 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.838 -179.155 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.18 -34.5 2.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.173 179.862 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -104.7 -40.85 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 1.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.44 -20.47 65.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.813 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.737 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.469 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 5.6 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 1.0 110.223 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.1 pt -99.08 -26.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.072 179.715 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.49 -69.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 1.0 110.468 179.497 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -46.63 -12.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.4 t -99.91 -36.57 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.81 -44.55 4.51 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.631 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.83 -68.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.178 179.359 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.96 -14.46 0.78 Allowed Glycine 0 CA--C 1.518 0.267 0 N-CA-C 109.445 -1.462 . . . . 1.0 109.445 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -100.99 -26.56 13.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.287 -0.457 . . . . 1.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.8 t -117.06 -56.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.635 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.65 -42.28 5.16 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.54 -32.74 72.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 179.369 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mt -91.51 0.18 57.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.247 179.591 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.42 -62.55 1.45 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.336 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -43.49 -40.99 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -22.15 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.822 -179.629 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.49 -47.52 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 1.0 110.504 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -82.52 -43.64 16.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -57.08 -44.28 93.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.2 t80 -57.09 -11.66 1.71 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.057 0.456 . . . . 1.0 110.086 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -111.06 -75.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.188 179.384 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.91 -58.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.172 0.92 . . . . 1.0 112.137 -179.716 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -74.98 -55.75 5.45 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.412 -0.515 . . . . 1.0 111.424 -179.75 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -61.16 4.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.351 -178.543 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -128.04 -43.68 1.49 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.729 0.3 . . . . 1.0 110.406 179.123 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -37.72 11.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.41 -11.46 54.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.569 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mptt . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.58 -179.972 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.543 ' HG1' ' N ' ' A' ' 5' ' ' ILE . 2.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.714 0.293 . . . . 1.0 110.244 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.543 ' N ' ' HG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.92 -21.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.17 179.72 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.567 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.37 -57.17 3.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.973 0.416 . . . . 1.0 110.46 179.627 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -7.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.035 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.94 -37.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.722 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.54 -46.27 5.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.807 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.38 -66.1 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.8 0.333 . . . . 1.0 110.327 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.53 -12.79 1.09 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.135 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -103.85 -25.71 12.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.348 -0.426 . . . . 1.0 110.531 179.728 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' LEU . 92.8 t -112.15 -53.47 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.61 -48.37 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.95 -30.45 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 1.0 109.733 179.297 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.68 7.3 46.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.038 179.431 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 13.2 m -142.5 -74.61 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.7 t80 -44.79 -41.48 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -81.78 -13.56 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.97 -47.11 8.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -85.35 -38.69 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -60.43 -47.73 89.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.796 -0.921 . . . . 1.0 110.796 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 9.0 t80 -55.54 -10.56 0.68 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.0 110.074 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' H ' ' C ' ' A' ' 22' ' ' GLY . 32.5 t90 -110.82 -75.73 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.206 179.426 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.86 -58.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.942 0.776 . . . . 1.0 111.902 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.4 m-85 -73.05 -50.93 20.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.372 -179.51 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -70.16 23.88 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.496 -0.482 . . . . 1.0 111.115 -178.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.15 -46.46 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.03 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.32 -44.07 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.836 -0.345 . . . . 1.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.6 tt0 -75.52 -3.48 34.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.047 0.451 . . . . 1.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.373 179.703 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.602 ' HG1' ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.639 0.257 . . . . 1.0 110.446 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.602 ' H ' ' HG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.86 -23.4 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.038 179.673 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.563 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.65 -57.61 3.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 1.0 110.4 179.582 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.9 -9.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.122 -179.826 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.6 t -102.83 -37.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.06 -46.56 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 179.827 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.88 -66.11 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.776 0.322 . . . . 1.0 110.371 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.21 -13.11 0.97 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 179.155 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -103.39 -25.97 13.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.458 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' LEU . 96.3 t -111.63 -53.33 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.35 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 1.0 110.078 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.82 -31.07 72.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 1.0 109.599 179.407 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.9 mt -96.41 7.42 46.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 1.0 110.286 179.404 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 32.6 m -142.37 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.4 t80 -45.1 -50.47 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -69.83 -55.62 9.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.638 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.58 -55.4 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.19 -46.48 17.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.183 179.886 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -43.03 -52.2 5.83 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.327 -1.109 . . . . 1.0 110.327 179.488 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -48.47 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.669 0.271 . . . . 1.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.1 t90 -79.3 -61.01 2.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.58 -179.374 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -30.23 -55.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 1.0 112.414 -178.736 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 4.8 m-85 -70.37 -65.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 1.0 112.007 -179.03 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 11.2 mptt -48.09 -6.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.781 -0.645 . . . . 1.0 112.088 -178.387 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.64 -48.19 2.29 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.223 -0.191 . . . . 1.0 110.911 179.63 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.16 -34.84 17.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.641 -179.777 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.0 tt0 -84.03 -9.21 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.679 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.952 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.575 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 1.0 110.42 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.48 -24.47 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.019 179.695 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.56 -63.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 1.0 110.239 179.427 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.28 -12.26 0.14 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.083 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.0 t -100.47 -38.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.63 -46.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.941 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.41 -66.54 0.57 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.709 0.29 . . . . 1.0 110.351 179.434 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.26 -13.16 1.01 Allowed Glycine 0 CA--C 1.518 0.254 0 N-CA-C 109.486 -1.445 . . . . 1.0 109.486 179.241 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -103.12 -25.7 13.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.294 -0.453 . . . . 1.0 110.386 179.745 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' ILE . 92.7 t -111.98 -53.25 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.72 -48.68 7.98 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.023 179.826 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.25 -30.48 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.215 0.531 . . . . 1.0 109.617 179.36 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.56 6.15 49.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.241 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 m -141.53 -72.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.7 t80 -45.75 -47.04 15.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -75.0 -50.97 14.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.24 -54.82 4.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.735 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -81.41 -39.01 25.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.77 -42.84 53.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.788 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -16.17 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 1.0 110.69 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.3 t90 -111.1 -64.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.732 -179.811 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -28.08 -55.02 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.803 0.689 . . . . 1.0 111.501 -179.488 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 28' ' ' TYR . 6.1 m-85 -73.99 -64.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.228 0.537 . . . . 1.0 111.093 179.737 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.8 mptp? -45.65 -12.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.444 -178.547 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.86 -49.95 2.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.629 0.252 . . . . 1.0 111.345 -179.768 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -84.78 -25.27 28.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 1.0 111.304 -178.769 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 tt0 -96.47 18.42 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.092 0.472 . . . . 1.0 109.993 179.889 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 1.1 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.554 0.216 . . . . 1.0 110.824 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.49 -23.88 2.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.877 0.37 . . . . 1.0 110.691 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.78 -70.52 0.1 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.995 179.631 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -8.89 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' H ' ' C ' ' A' ' 6' ' ' TRP . 23.6 t -101.38 -33.46 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.541 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -117.11 -43.96 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.04 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.38 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.61 -67.38 0.49 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 1.0 110.225 179.303 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.5 -14.12 0.9 Allowed Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.09 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.28 -26.97 13.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.339 -0.43 . . . . 1.0 110.188 179.615 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.0 t -116.2 -56.96 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.649 179.684 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -46.85 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 179.682 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.29 -31.51 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.434 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.42 5.26 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.439 179.632 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.88 -60.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.401 179.919 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.4 t80 -40.14 -47.06 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.649 179.903 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -70.76 -55.65 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.44 179.789 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.89 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.581 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -75.27 -47.41 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -48.5 -55.68 10.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -34.78 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.612 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.5 t90 -88.41 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.038 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -26.52 -55.57 0.07 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.849 0.718 . . . . 1.0 112.154 -179.321 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -71.42 -58.36 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.507 -179.326 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -66.33 31.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.79 -179.08 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.04 -44.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.041 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -93.29 -39.76 10.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.687 179.8 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -79.78 -0.75 35.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.446 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.57 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.65 0.262 . . . . 1.0 110.669 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.7 -25.81 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.982 179.842 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.58 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.5 -69.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.3 179.422 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -45.46 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -97.81 -36.53 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.158 -179.75 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.34 -44.68 4.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 179.726 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.58 -67.65 0.47 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.738 0.304 . . . . 1.0 110.309 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.43 -14.68 0.99 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 109.435 -1.466 . . . . 1.0 109.435 179.154 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -100.73 -26.57 13.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.2 t -116.97 -57.02 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -41.44 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.161 179.842 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.32 -32.78 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.395 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.53 -2.58 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.286 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -117.77 -61.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.2 t80 -46.74 -39.29 11.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -77.71 -13.3 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.041 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.1 -46.89 5.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.838 0.351 . . . . 1.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -82.66 -34.2 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -69.49 -53.25 17.66 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 26.3 t80 -55.45 -11.32 0.81 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.076 0.465 . . . . 1.0 110.126 179.904 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.8 t90 -105.48 -67.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' TRP . 8.3 mt -34.85 -55.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -179.759 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.44 -20.86 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.874 -179.064 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.09 32.65 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.726 -179.829 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.8 -53.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.906 179.35 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -81.64 -45.0 16.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 1.0 110.589 -179.558 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.8 -18.92 64.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.554 -179.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mptt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.395 179.656 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.588 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 1.0 110.56 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.39 -22.93 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.998 179.721 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.58 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.76 -64.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.346 179.553 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -52.48 -7.25 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.512 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.88 -37.41 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 121.138 -0.225 . . . . 1.0 110.676 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.21 -44.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.518 -0.549 . . . . 1.0 109.518 179.688 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.81 0.46 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 1.0 110.143 179.238 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.22 -14.04 0.79 Allowed Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.087 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -101.42 -27.03 13.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.3 -0.45 . . . . 1.0 110.353 179.509 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 80.4 t -114.38 -55.74 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.735 179.735 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -48.11 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.06 179.661 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.45 -30.93 71.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.0 mt -96.04 7.8 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.574 179.603 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -127.97 -59.54 1.18 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.9 t80 -40.08 -46.23 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.633 179.863 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -74.23 -51.06 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.671 -179.864 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -80.12 -42.96 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.861 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -50.57 -50.36 36.57 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -21.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.392 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.4 t90 -102.8 -63.04 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -31.05 -51.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.637 0.585 . . . . 1.0 111.708 -179.111 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' A' ' 28' ' ' TYR . 6.4 m-85 -73.54 -62.43 1.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.825 -179.53 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -52.64 -1.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.803 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.57 -44.7 1.96 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.171 -0.211 . . . . 1.0 110.789 179.545 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.53 -33.67 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.493 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.5 tt0 -85.63 -13.86 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.698 0.285 . . . . 1.0 110.561 179.831 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.519 179.692 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.561 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.731 0.301 . . . . 1.0 110.425 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.561 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.06 -22.87 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.086 179.728 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.97 -56.99 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.399 179.568 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.9 -10.8 1.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.97 -179.801 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.55 -38.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.56 -46.89 6.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.106 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.889 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.43 -66.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.309 179.423 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.14 -13.18 0.94 Allowed Glycine 0 CA--C 1.519 0.29 0 N-CA-C 109.481 -1.448 . . . . 1.0 109.481 179.195 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.56 -25.24 13.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.367 -0.417 . . . . 1.0 110.514 179.742 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' ILE . 95.4 t -112.22 -53.31 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.678 179.754 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.75 -49.07 8.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.031 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.06 -30.39 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 109.661 179.284 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -96.41 7.22 47.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.154 179.427 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 m -143.05 -74.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.6 t80 -44.23 -40.65 5.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.1 mm? -81.97 -15.35 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.09 -46.85 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.502 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -85.31 -41.06 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.86 -46.67 92.13 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.835 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.4 t80 -56.88 -12.32 1.9 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.956 0.408 . . . . 1.0 110.05 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -109.02 -76.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.136 179.477 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -24.32 -59.38 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.029 0.83 . . . . 1.0 112.17 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -72.31 -55.89 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.131 -0.628 . . . . 1.0 111.172 -179.445 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.33 10.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.538 -178.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -136.9 -36.74 0.67 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.669 0.271 . . . . 1.0 110.374 179.097 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.78 -40.08 7.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.396 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.55 -12.43 61.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.842 0.353 . . . . 1.0 110.523 -179.8 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.626 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.563 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.723 0.297 . . . . 1.0 110.357 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.563 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -23.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.049 179.669 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.93 -57.5 3.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.465 179.598 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.57 -7.58 0.68 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.069 -179.757 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.66 -38.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.768 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.02 -46.0 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.46 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.359 179.504 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.05 -13.16 0.88 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.114 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.82 -27.08 12.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.493 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.4 t -111.19 -52.72 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.683 179.742 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.83 -46.45 5.26 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.142 -0.318 . . . . 1.0 110.142 179.862 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.75 -32.06 73.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 179.374 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.5 mt -96.7 15.92 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.272 179.296 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.1 m -136.17 -61.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.618 . . . . 1.0 109.69 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.5 t80 -45.04 -47.84 11.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.052 179.235 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.1 mm? -80.05 -44.26 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.301 179.591 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -55.72 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.63 -33.13 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 1.0 110.16 179.762 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.38 -44.08 52.4 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.469 -1.052 . . . . 1.0 110.469 179.553 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.59 -19.63 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.058 0.456 . . . . 1.0 110.308 179.809 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -102.4 -76.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.724 179.307 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.1 mt -22.02 -61.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 124.027 0.829 . . . . 1.0 112.309 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.4 m-85 -71.4 -60.76 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.269 -0.572 . . . . 1.0 111.649 -179.291 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.8 mmtp -54.26 -17.48 2.94 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.648 -0.421 . . . . 1.0 111.777 -178.85 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -100.23 -40.34 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.792 179.392 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.82 -43.37 7.89 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.502 -0.479 . . . . 1.0 111.052 -179.749 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.1 tp-100 -50.24 -36.49 31.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 1.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.773 -179.509 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.6 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.6 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.898 0.38 . . . . 1.0 110.33 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.6 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -24.94 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.903 179.786 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.63 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 1.0 110.36 179.443 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -48.26 -12.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -99.86 -37.97 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.198 -179.842 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.78 -44.74 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 179.658 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.724 0.297 . . . . 1.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.99 -13.63 0.96 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.77 -26.52 13.44 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.256 -0.472 . . . . 1.0 110.203 179.514 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.6 t -117.21 -56.66 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.97 -41.45 5.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.079 179.835 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.11 -32.6 72.11 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.91 -2.04 57.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.363 179.451 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.94 -62.24 1.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -45.47 -39.91 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.33 -17.88 59.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.017 -179.614 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.32 -47.49 7.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.953 0.406 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -77.35 -42.58 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.19 -47.22 87.25 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.896 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 39.6 t80 -56.11 -8.12 0.43 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.827 0.346 . . . . 1.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' H ' ' C ' ' A' ' 22' ' ' GLY . 26.7 t90 -116.13 -73.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.408 179.748 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.4 mt -23.59 -51.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.09 0.869 . . . . 1.0 111.932 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.531 ' C ' ' H ' ' A' ' 28' ' ' TYR . 5.0 m-85 -73.93 -74.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.948 -179.623 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -45.87 -10.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.937 0.347 . . . . 1.0 111.937 -178.537 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.531 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -111.42 -49.64 2.99 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.886 179.722 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -88.47 -42.59 12.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.006 -179.372 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.8 tt0 -74.31 -14.35 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.721 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.277 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 tptt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -139.82 -36.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.604 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.641 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.7 t60 -166.08 -127.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.488 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.641 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.7 t -118.85 -116.13 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.326 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.552 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.12 -21.59 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.148 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.33 -57.01 3.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.896 0.379 . . . . 1.0 110.605 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.03 -5.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.957 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -106.79 -36.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.651 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.75 -45.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.57 -66.87 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.788 0.328 . . . . 1.0 110.221 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.91 -13.38 0.87 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.92 -26.36 13.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.268 -0.466 . . . . 1.0 110.358 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.1 t -115.05 -54.92 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.608 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.11 -46.85 5.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.861 0.362 . . . . 1.0 110.054 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -65.23 -31.54 72.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.58 2.51 56.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.57 -60.89 1.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.44 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.7 t80 -40.59 -48.37 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -70.58 -57.86 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.726 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.07 -53.11 4.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.76 -41.91 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.18 -48.51 58.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.43 -17.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 1.0 110.308 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -106.47 -73.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.506 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.51 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.079 0.862 . . . . 1.0 112.126 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.15 -64.31 1.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 1.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -47.75 -10.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.93 -51.2 2.79 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 121.052 -0.259 . . . . 1.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.29 -42.62 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 1.0 110.93 -179.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -74.61 -13.9 60.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.611 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.4 70.14 0.84 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.25 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -143.55 -67.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -167.13 -127.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.462 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.649 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.8 t -120.5 -116.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.58 -22.23 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.147 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.552 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.43 -57.32 3.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.486 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -4.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.027 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -107.68 -37.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.18 -45.53 5.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.538 -0.542 . . . . 1.0 109.538 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.66 -66.67 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.8 0.333 . . . . 1.0 110.227 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.09 -13.23 0.92 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.2 tp -102.79 -26.43 13.15 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.265 -0.467 . . . . 1.0 110.299 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 71.1 t -114.07 -54.99 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.682 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.26 -48.75 6.73 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.57 -30.45 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.5 mt -95.8 5.03 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.636 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.82 -59.49 1.35 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.341 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.4 t80 -39.83 -48.94 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.631 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -72.35 -51.97 18.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.5 -54.29 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -81.11 -38.67 26.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.703 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -47.02 66.24 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.11 -17.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 1.0 110.243 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.5 t90 -106.63 -73.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.4 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.066 0.854 . . . . 1.0 111.942 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.42 -63.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.908 0.385 . . . . 1.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -48.59 -8.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.645 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -115.35 -51.19 2.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.657 0.265 . . . . 1.0 110.862 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.26 -44.2 13.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.836 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.66 -15.89 61.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.561 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -115.45 87.53 2.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.579 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -139.71 -36.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.638 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -166.15 -126.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.638 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.9 t -119.79 -116.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.277 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.51 -21.88 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.18 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.56 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.47 -57.0 3.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -6.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.959 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -105.76 -37.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.759 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.31 -45.49 4.94 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.6 -66.66 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.251 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.01 -13.17 0.86 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.4 tp -102.97 -26.62 13.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.365 -0.418 . . . . 1.0 110.319 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.3 t -114.77 -55.18 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.627 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.64 7.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.87 -30.79 71.84 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.2 mt -95.82 6.65 48.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.505 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -127.23 -59.66 1.23 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.437 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.94 -49.31 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.72 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -72.24 -50.2 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.614 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -80.78 -37.22 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.32 -45.7 82.28 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.71 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 1.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.4 t90 -107.63 -74.04 0.67 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.412 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.6 -57.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.948 0.78 . . . . 1.0 111.981 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.0 m-85 -75.36 -64.23 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.89 0.376 . . . . 1.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.2 mmtm -47.51 -11.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.686 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.54 -51.2 2.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.07 -0.252 . . . . 1.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.33 -42.28 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 1.0 110.942 -179.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.03 -13.61 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.07 70.16 0.83 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.312 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.156 -0.926 . . . . 1.0 110.678 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.8 tttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.28 -77.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.686 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.5 t60 -172.17 -170.81 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.443 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.686 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.4 t -77.7 -109.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.505 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.567 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.77 -25.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.982 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.7 -65.46 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -48.51 -14.76 0.07 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.065 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -98.19 -39.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.063 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -110.5 -46.42 6.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.87 -66.89 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 110.218 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.95 -13.63 0.94 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.2 -25.64 13.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.39 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 75.4 t -111.36 -53.56 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.729 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -49.48 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.013 -0.365 . . . . 1.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.61 -30.98 71.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -96.17 6.52 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.385 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.5 m -141.85 -73.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.49 -48.76 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.488 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -73.12 -51.15 19.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.49 5.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.42 -37.46 25.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.691 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -46.73 70.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.18 -16.93 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.73 -74.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.497 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.38 -56.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.021 0.825 . . . . 1.0 112.067 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.46 -64.54 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 1.0 110.966 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.82 -10.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.662 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.11 -51.34 2.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.654 0.264 . . . . 1.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.33 -42.98 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.913 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.05 -14.38 60.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.06 69.54 0.81 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.647 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' H3 ' ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' H ' ' H3 ' ' A' ' 1' ' ' LYS . 2.1 pttt -47.17 -46.54 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.527 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.638 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -161.71 -121.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.638 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.9 t -119.68 -116.57 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.434 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.558 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.8 -21.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.294 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.01 -65.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.037 0.446 . . . . 1.0 110.338 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -50.16 -9.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.135 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -102.24 -36.2 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.939 -0.305 . . . . 1.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.42 -44.51 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.783 0.325 . . . . 1.0 110.255 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.57 -14.08 0.92 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 109.399 -1.48 . . . . 1.0 109.399 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.1 tp -101.3 -26.55 13.59 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.235 -0.482 . . . . 1.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.7 -57.17 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.645 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -43.22 5.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.097 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.27 -32.5 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.95 1.46 57.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.288 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.47 -62.58 1.41 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.282 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.43 -42.18 4.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.15 -20.37 59.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.835 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.6 -47.68 8.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 1.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -81.96 -33.14 30.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.569 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.03 -51.01 42.24 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.02 -25.03 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.953 0.406 . . . . 1.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.2 t90 -98.74 -69.72 0.75 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -23.58 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.93 0.769 . . . . 1.0 111.994 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.3 m-85 -71.29 -64.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.98 0.419 . . . . 1.0 111.36 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -49.03 -7.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 1.0 112.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.53 -47.38 2.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.704 0.287 . . . . 1.0 110.699 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -88.08 -42.33 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.7 tt0 -75.64 -12.79 60.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 4.0 mptt -110.3 -40.51 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.468 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.59 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -75.04 -163.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.563 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.678 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.9 t60 -51.17 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.646 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.678 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -69.64 -113.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.679 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.69 -21.7 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.181 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.97 -58.32 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.461 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.34 -7.63 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.872 -0.331 . . . . 1.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -103.58 -37.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.734 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.57 -45.6 5.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.56 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.852 0.358 . . . . 1.0 110.176 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.58 0.83 Allowed Glycine 0 CA--C 1.519 0.284 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.8 tp -102.25 -26.34 13.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.259 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -115.38 -55.81 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -47.39 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.074 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.75 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -93.84 3.98 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.619 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -124.36 -61.41 1.34 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.7 t80 -40.59 -49.59 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.605 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -71.55 -52.45 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.57 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.731 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.37 -38.34 26.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.744 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -46.83 66.59 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.44 -17.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 1.0 110.351 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -106.79 -72.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.424 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.96 -58.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.09 0.869 . . . . 1.0 111.956 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.8 m-85 -73.83 -62.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -50.59 -6.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.776 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.88 -47.31 2.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.673 0.273 . . . . 1.0 110.916 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -88.6 -38.8 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 1.0 110.918 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -80.95 -13.08 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -116.01 -42.81 3.03 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.556 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.91 131.98 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.481 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.675 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.1 t60 -61.62 -176.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.582 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.675 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.6 t -56.39 -110.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.566 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.46 -24.04 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.106 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.97 -66.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.999 0.428 . . . . 1.0 110.25 179.439 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -48.05 -13.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -99.14 -39.07 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.11 -45.06 5.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.86 -67.54 0.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.732 0.301 . . . . 1.0 110.312 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.78 -13.74 0.91 Allowed Glycine 0 CA--C 1.518 0.28 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.5 tp -101.78 -26.43 13.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.245 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.4 t -117.02 -56.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.746 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -41.96 4.58 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.063 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.04 -33.29 73.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.4 mt -90.45 0.16 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.189 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.22 -63.5 1.36 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.9 t80 -43.37 -42.53 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.777 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.15 -21.64 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.861 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.44 -48.5 8.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 1.0 110.463 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -80.81 -36.3 31.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -63.05 -53.14 42.5 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.71 -0.956 . . . . 1.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.1 -38.29 4.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.965 0.412 . . . . 1.0 110.412 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 25.4 t90 -85.29 -67.86 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.084 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.9 mt -24.08 -56.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.846 0.716 . . . . 1.0 112.438 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.2 m-85 -70.99 -65.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.806 -0.358 . . . . 1.0 111.885 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.51 -2.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -121.42 -42.36 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.273 . . . . 1.0 110.535 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.97 -38.11 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.712 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -82.1 -8.54 59.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.642 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.85 71.07 0.88 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.09 -0.957 . . . . 1.0 110.731 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' CB ' ' NZ ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.1 120.89 27.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.576 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.1 t60 39.01 -128.38 0.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.797 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.609 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.7 t -125.03 -109.55 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.87 -24.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.055 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.78 -65.33 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.926 0.393 . . . . 1.0 110.422 179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -12.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -99.94 -38.69 6.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -45.6 5.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.71 -67.41 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 1.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.34 -14.41 0.91 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.7 tp -101.38 -26.72 13.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.06 -56.08 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.638 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -42.65 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.092 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 tp -68.18 -33.46 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.0 mt -89.96 -2.69 58.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.361 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.36 -63.43 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.425 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.21 -43.53 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -72.92 -21.49 60.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.867 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.89 -48.4 8.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 1.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.11 -38.72 26.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -60.8 -52.49 52.06 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 1.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 24.9 t90 -89.52 -67.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.101 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -24.77 -55.6 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.899 0.75 . . . . 1.0 112.233 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -71.65 -65.3 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.937 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.42 -1.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.368 0.507 . . . . 1.0 112.368 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -122.44 -43.28 2.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.646 0.26 . . . . 1.0 110.551 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.02 -38.73 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -81.08 -9.44 59.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.436 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -119.23 70.05 0.83 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.025 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.672 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.8 OUTLIER 59.47 123.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.574 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.675 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.9 t60 -52.78 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.675 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.4 t -55.17 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.583 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.88 -25.56 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.949 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.09 -69.17 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 1.0 110.134 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -45.69 -14.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.6 t -97.69 -38.78 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.934 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.97 -45.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.06 -66.84 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.746 0.308 . . . . 1.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.11 -13.3 0.95 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.38 -25.56 13.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.301 -0.449 . . . . 1.0 110.341 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 74.3 t -111.52 -53.31 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.56 -49.7 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.028 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.34 -30.42 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 1.0 109.642 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -96.3 6.53 48.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.289 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.7 m -142.48 -73.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.523 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.1 t80 -44.89 -45.19 10.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -77.79 -50.54 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.15 -54.79 4.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.67 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -82.57 -38.7 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.59 -46.57 58.82 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.17 -17.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 1.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.32 -57.3 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.99 0.806 . . . . 1.0 112.089 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -75.19 -64.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.5 mmtt -47.44 -10.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.572 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.68 -51.2 2.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.676 0.274 . . . . 1.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -44.22 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 1.0 111.043 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.59 -16.56 62.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.719 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 32' ' ' LYS . 11.2 mptt -109.04 -45.71 3.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.543 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.15 -0.929 . . . . 1.0 110.63 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 -72.38 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.604 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.598 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.82 -127.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.598 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.0 t -126.81 -113.19 0.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.394 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.558 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.27 -22.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.212 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.2 -57.34 3.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.502 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.38 -5.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.966 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.456 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.3 t -106.17 -37.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.734 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.97 -45.66 5.11 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.7 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.138 -0.319 . . . . 1.0 110.138 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.23 -13.14 0.99 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.7 tp -102.76 -26.2 13.25 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.393 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.15 -54.97 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.645 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -47.19 7.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.52 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.5 mt -93.3 2.14 56.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.71 -61.57 1.44 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.2 t80 -40.43 -50.21 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.692 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.16 -52.38 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.06 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.758 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.54 -38.15 26.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.81 -46.96 66.69 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.28 -17.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 1.0 110.265 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.01 -74.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.418 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.91 -57.83 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.02 0.825 . . . . 1.0 112.015 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.6 m-85 -74.87 -64.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -46.98 -10.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.517 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.08 -50.81 2.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.663 0.268 . . . . 1.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -32.81 22.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.21 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' PHE . 3.7 tt0 -86.4 -11.91 50.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.69 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -115.16 63.68 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 1.0 110.597 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.028 -0.987 . . . . 1.0 110.44 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 tttt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 120.04 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 40.42 -124.99 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.57 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.603 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.7 t -127.24 -109.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.328 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.603 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -118.62 -24.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.111 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.573 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.44 -62.98 0.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 1.0 110.461 179.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.78 -8.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.109 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -103.58 -37.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.58 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.02 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.776 0.322 . . . . 1.0 110.315 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.58 -13.76 0.85 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.26 -26.66 13.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.391 -0.405 . . . . 1.0 110.367 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 79.3 t -114.18 -55.05 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.698 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.41 6.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.372 . . . . 1.0 110.102 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.78 -31.14 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.64 3.98 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.41 -60.17 1.42 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.76 -49.84 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.33 -50.48 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.55 -54.07 10.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.96 -36.37 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -56.18 -46.19 86.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -53.58 -15.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 1.0 110.168 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.9 -74.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.468 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.32 -56.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.006 0.816 . . . . 1.0 111.948 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -75.44 -64.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.944 0.402 . . . . 1.0 110.952 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.1 mmtm -47.8 -10.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.483 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.74 -50.25 2.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.891 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.36 -40.81 17.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.836 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.08 -12.73 60.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.626 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -118.32 67.34 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.296 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 3' ' ' HIS . 7.3 ttpm? -141.17 159.57 41.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.686 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.3 t60 -50.68 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.686 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -57.05 -112.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.54 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.549 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.72 -25.75 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.966 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.31 -70.25 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.308 179.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -45.51 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.383 -0.372 . . . . 1.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.5 t -98.15 -36.73 5.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.07 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.18 -44.31 4.32 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.81 -67.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 1.0 110.241 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.6 -14.43 1.0 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.8 tp -100.38 -26.94 13.71 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.251 -0.475 . . . . 1.0 110.239 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.3 t -117.02 -57.17 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.684 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -42.37 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.0 110.052 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -68.76 -33.14 73.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.34 2.06 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.337 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.2 -62.77 1.35 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -43.65 -41.67 4.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.712 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.76 -21.67 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.768 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.35 -48.21 8.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.413 . . . . 1.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -81.06 -35.31 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.472 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.6 -53.19 36.7 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -45.26 -38.86 5.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.011 0.434 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 24.8 t90 -83.62 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -23.09 -56.79 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.945 0.778 . . . . 1.0 112.163 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.7 m-85 -71.39 -60.69 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.592 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -66.12 31.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.087 0.402 . . . . 1.0 112.087 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.06 -53.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.055 -0.35 . . . . 1.0 110.055 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -86.5 -36.99 18.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 1.0 110.598 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.8 tt0 -86.57 -5.11 59.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.234 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -120.3 76.77 1.2 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.31 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.665 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 tttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.365 -0.605 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 32.2 ttpt -91.38 167.15 12.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.672 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 -59.52 -125.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.672 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -113.83 -111.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.222 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.59 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.58 -25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.882 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.85 -66.51 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.299 179.359 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -48.77 -11.97 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -100.86 -38.3 6.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.894 -0.322 . . . . 1.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.29 -45.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.76 -67.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.847 0.356 . . . . 1.0 110.183 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.01 -13.6 0.96 Allowed Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.9 tp -101.49 -26.37 13.59 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.308 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 88.9 t -114.44 -55.38 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.23 -48.59 6.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 1.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.61 -30.84 71.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.595 -0.52 . . . . 1.0 109.595 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -95.01 4.61 53.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.627 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.49 -60.11 1.34 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.395 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.2 t80 -39.46 -49.58 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.731 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.64 -50.9 26.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.519 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.88 -54.24 8.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.643 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -81.01 -37.29 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.707 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.43 -47.15 77.77 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.61 -17.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 1.0 110.171 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.19 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.475 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.88 -57.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.033 0.833 . . . . 1.0 112.072 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.4 m-85 -75.31 -64.98 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.944 0.402 . . . . 1.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.69 -10.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.517 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.15 -50.71 2.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.743 0.306 . . . . 1.0 110.829 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.69 -45.39 13.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.79 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -71.7 -15.5 62.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.709 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 8.4 mptt -110.04 -44.72 3.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 2.6 mtmt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.058 -0.973 . . . . 1.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -71.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.537 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.601 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.33 -128.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.5 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.601 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.0 t -126.9 -113.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.551 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.03 -22.18 5.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.21 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.53 -56.6 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.82 -5.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.954 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.99 -38.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.733 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.96 -45.86 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -67.42 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.75 0.309 . . . . 1.0 110.319 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.16 -14.68 0.89 Allowed Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.504 -1.438 . . . . 1.0 109.504 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.9 -26.49 13.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.407 -0.397 . . . . 1.0 110.396 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' THR . 53.5 t -116.19 -55.72 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.66 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -42.53 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.13 -33.19 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.04 -3.6 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.342 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.34 -62.95 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.8 t80 -43.43 -42.4 4.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.55 -21.19 59.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.88 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.66 -48.14 8.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 1.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.07 -35.22 32.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.27 -52.96 39.44 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -33.59 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 1.0 110.369 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.4 t90 -89.57 -68.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.063 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.97 -53.93 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.854 0.721 . . . . 1.0 112.294 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.7 m-85 -72.28 -67.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.594 -0.442 . . . . 1.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -53.4 1.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -127.31 -37.53 2.03 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.865 179.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.61 -40.01 6.83 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 1.0 111.222 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -68.32 -23.73 64.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.758 0.313 . . . . 1.0 111.088 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -86.19 5.97 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 1.0 110.77 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.418 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -72.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.475 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.625 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -163.37 -130.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.568 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.625 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.9 t -124.7 -113.4 0.3 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.315 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.83 -22.77 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.112 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.563 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.26 -56.93 3.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.339 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -10.49 1.11 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.88 -38.35 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.46 -46.74 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.68 -66.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.301 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.11 -13.09 0.9 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.452 -1.459 . . . . 1.0 109.452 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.49 -25.56 13.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.361 -0.419 . . . . 1.0 110.457 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 96.2 t -112.22 -53.3 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.76 -47.43 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.43 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 1.0 109.626 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -96.79 7.67 46.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.404 -0.816 . . . . 1.0 110.161 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 m -142.2 -73.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.461 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.2 t80 -46.19 -49.0 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -72.75 -50.05 26.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.612 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.49 -54.55 7.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -82.11 -35.37 28.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.534 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.28 -44.62 89.34 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.88 -16.89 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 1.0 110.048 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CE2' ' CD2' ' A' ' 28' ' ' TYR . 27.7 t90 -105.96 -75.5 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.339 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.31 -58.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.062 0.851 . . . . 1.0 112.053 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -72.87 -63.18 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.927 0.394 . . . . 1.0 110.834 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.4 mmtm -51.14 -6.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.716 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.18 -41.73 2.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.596 0.236 . . . . 1.0 111.137 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -42.93 8.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.86 0.362 . . . . 1.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -73.29 -20.55 60.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.661 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' LYS . 10.7 mptt -106.44 -44.88 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.553 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' LYS . 6.8 mtpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 31.0 ttpt -43.91 167.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.662 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -59.0 -123.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.665 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.662 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.4 t -114.88 -114.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -107.69 -24.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.089 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.13 -57.22 3.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.72 0.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.014 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -112.93 -35.31 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.462 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.54 -44.03 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.59 -66.83 0.61 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.69 -13.52 0.84 Allowed Glycine 0 CA--C 1.519 0.323 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.4 -26.73 13.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.305 -0.448 . . . . 1.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.2 t -113.58 -54.85 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -47.96 6.22 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.206 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.22 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -94.99 3.99 54.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.617 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.28 -59.54 1.47 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -40.35 -45.42 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.644 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -74.08 -56.26 5.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.436 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -56.49 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.353 . . . . 1.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -75.29 -46.52 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.246 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -46.42 -56.77 6.94 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.838 0.352 . . . . 1.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.2 t90 -54.43 -66.96 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.33 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -23.46 -67.73 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.887 0.742 . . . . 1.0 112.256 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.637 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.0 m-85 -63.34 -59.98 3.98 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HZ1' ' HZ2' ' A' ' 31' ' ' LYS . 5.3 mptt -60.09 21.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.308 0.484 . . . . 1.0 112.308 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.637 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.84 -47.48 0.18 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.967 -0.382 . . . . 1.0 109.967 179.138 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.54 -33.68 15.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 1.0 110.776 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.0 tt0 -86.88 -5.57 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HZ2' ' HZ1' ' A' ' 27' ' ' LYS . 10.7 mptt -112.49 14.13 20.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.672 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.522 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.69 26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 1.0 110.479 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 48.63 -122.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.645 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.65 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 3.4 t -117.86 -118.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.149 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.556 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -105.96 -23.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.928 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.552 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.2 -57.13 3.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.53 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.15 1.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.017 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -113.27 -34.69 2.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.466 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.01 -43.96 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.63 -66.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.176 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.83 -14.54 1.11 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -100.83 -27.61 13.24 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.249 -0.475 . . . . 1.0 110.215 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.3 t -117.54 -58.03 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.646 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.66 5.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.012 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.2 tp -69.1 -32.64 72.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -92.9 5.11 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.109 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -125.33 -62.56 1.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.7 t80 -44.04 -40.93 5.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.644 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.74 -21.66 57.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.792 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.5 -48.2 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.521 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.4 -35.91 34.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.35 -53.88 33.17 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -44.27 -40.04 4.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.825 0.345 . . . . 1.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.614 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.0 t90 -81.61 -71.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.8 mt -20.8 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.08 0.862 . . . . 1.0 112.171 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.597 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.0 m-85 -73.38 -61.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.645 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' CG ' ' HZ3' ' A' ' 31' ' ' LYS . 12.7 mttp -66.57 32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.862 -0.335 . . . . 1.0 111.81 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -154.45 -45.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.013 0.435 . . . . 1.0 109.837 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.87 -30.91 13.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.7 tt0 -94.73 -6.69 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.526 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HZ3' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -115.23 15.96 16.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.629 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.584 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 tttm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.34 115.42 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.646 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.4 t60 40.86 -127.52 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.523 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.646 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.0 t -121.47 -112.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.32 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -117.88 -23.66 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.21 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.572 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.73 -61.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.591 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.56 -3.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.075 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -108.05 -35.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.529 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.12 -44.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.562 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.89 -66.87 0.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.837 0.351 . . . . 1.0 110.244 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.75 -13.64 0.88 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.413 -1.475 . . . . 1.0 109.413 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.03 -27.03 13.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.384 -0.408 . . . . 1.0 110.228 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.4 t -114.2 -55.77 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.95 -47.91 5.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.48 -31.09 72.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -95.04 4.37 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.585 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.52 -59.92 1.43 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.416 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.2 t80 -40.08 -44.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.62 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -73.88 -58.07 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.61 -56.73 2.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.724 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -74.3 -49.36 23.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -44.06 -57.7 4.7 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -67.57 0.22 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.343 . . . . 1.0 110.415 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.621 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 23.2 t90 -55.74 -66.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.52 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -21.57 -64.52 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.962 0.789 . . . . 1.0 112.311 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.63 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.6 m-85 -68.96 -57.34 5.61 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.3 mptp? -62.5 21.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 1.0 112.064 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.63 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -145.94 -50.62 0.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.12 -39.41 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.566 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -85.1 -4.99 59.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.237 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.51 80.29 1.6 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.48 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.026 -0.987 . . . . 1.0 110.598 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.2 tttm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.568 ' CG ' ' H ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -97.88 -142.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.593 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.568 ' H ' ' CG ' ' A' ' 2' ' ' LYS . 1.9 t60 -99.32 -90.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.551 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 6.5 t -151.61 -123.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.202 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.551 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -104.19 -24.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.048 179.651 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.572 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.46 -64.1 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 1.0 110.512 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.11 -8.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.058 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.493 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.63 -37.39 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.25 5.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.25 -67.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.339 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.55 -14.39 0.98 Allowed Glycine 0 CA--C 1.52 0.35 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.77 -26.32 13.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.283 -0.458 . . . . 1.0 110.383 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.1 t -116.14 -56.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -42.33 4.72 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.2 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.84 -32.51 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.2 mt -91.63 -0.47 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.214 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.51 -62.08 1.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.324 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.41 -41.05 8.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.65 -17.07 60.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.825 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.81 -48.79 6.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.179 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.17 -44.7 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.649 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.13 -47.48 67.08 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.96 -1.256 . . . . 1.0 109.96 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -70.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 1.0 110.126 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t90 -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.403 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.8 mt -24.06 -69.72 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.887 0.742 . . . . 1.0 111.945 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' C ' ' H ' ' A' ' 28' ' ' TYR . 12.5 m-85 -65.46 -50.88 63.7 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.264 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.12 23.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.818 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -149.17 -47.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -36.63 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.811 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -87.04 -4.47 59.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -115.88 14.59 16.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.781 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.517 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.0 tttp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -82.15 26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 1.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.688 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.2 t60 47.21 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.858 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.688 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 4.0 t -59.78 -118.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.747 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -107.49 -21.36 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.156 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.4 -60.32 1.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.42 -8.61 0.36 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.743 -0.383 . . . . 1.0 111.096 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -102.32 -37.4 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.53 -45.45 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.776 0.322 . . . . 1.0 110.251 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.13 -14.11 0.78 Allowed Glycine 0 CA--C 1.518 0.237 0 N-CA-C 109.568 -1.413 . . . . 1.0 109.568 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -101.95 -26.78 13.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.324 -0.438 . . . . 1.0 110.28 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 65.6 t -114.48 -55.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -48.83 6.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.61 -31.04 72.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.3 mt -95.33 5.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.95 -59.74 1.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.348 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 t80 -39.87 -50.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -70.91 -50.6 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.56 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.12 -54.39 8.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -81.11 -36.39 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.617 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -56.16 -46.35 85.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.67 -15.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 1.0 110.156 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.1 t90 -107.89 -74.77 0.65 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.24 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.094 0.871 . . . . 1.0 111.945 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.29 -63.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.956 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 38.0 mmtm -49.09 -8.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.519 -179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.21 -48.49 2.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.748 0.309 . . . . 1.0 110.977 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -87.44 -33.98 18.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.239 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.0 tt0 -86.5 -9.83 55.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.869 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -113.83 18.51 17.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.434 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 mttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -143.18 -75.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.603 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.691 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.0 t60 -172.14 -172.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.502 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.691 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.5 t -67.33 -109.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.591 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.571 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.2 -24.4 3.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.14 -64.91 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 1.0 110.314 179.562 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -49.65 -13.71 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -98.44 -38.27 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -46.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.0 -67.19 0.49 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.802 0.334 . . . . 1.0 110.276 179.408 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.53 -13.98 0.88 Allowed Glycine 0 C--N 1.331 0.268 0 N-CA-C 109.519 -1.433 . . . . 1.0 109.519 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.8 tp -101.94 -25.9 13.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.368 -0.416 . . . . 1.0 110.422 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.6 t -110.82 -53.83 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.688 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -49.51 6.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.6 -31.57 71.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.39 7.98 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.361 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.5 m -142.52 -73.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.4 t80 -46.07 -52.01 12.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.414 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -69.88 -49.71 49.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.53 -55.34 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.566 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -82.14 -35.55 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.61 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.26 -45.61 82.24 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.35 -18.09 3.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.391 . . . . 1.0 110.085 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -104.3 -75.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.398 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.13 -59.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.044 0.84 . . . . 1.0 112.085 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -71.53 -63.69 1.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.973 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.6 mmtt -51.6 -6.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.79 -179.138 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.94 -35.83 3.41 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.325 -179.834 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.72 -40.43 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.098 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 1.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -100.08 -45.88 5.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.062 -0.97 . . . . 1.0 110.439 -179.686 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.626 ' HZ2' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -87.77 107.93 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.521 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.554 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 40.72 -124.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.519 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.595 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 1.8 t -126.81 -111.41 0.29 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.383 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.595 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -115.77 -23.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.151 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.569 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.07 -61.12 1.39 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 1.0 110.471 179.531 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.26 -8.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.1 t -103.39 -37.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.38 -45.73 5.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.746 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.12 -66.99 0.53 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.732 0.301 . . . . 1.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.96 -13.44 0.9 Allowed Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.41 -26.32 13.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.415 -0.393 . . . . 1.0 110.38 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 67.2 t -114.84 -55.15 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.674 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -47.48 5.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 1.0 110.083 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.31 -31.99 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.8 mt -92.57 1.03 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.6 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.14 -61.87 1.5 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.341 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.8 t80 -40.29 -52.08 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -69.05 -51.4 39.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.41 -54.61 7.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.46 -36.09 29.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.66 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.74 -45.77 84.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.3 -17.92 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.388 . . . . 1.0 110.071 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.4 t90 -104.45 -75.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.97 -59.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.948 0.78 . . . . 1.0 112.153 -179.626 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -71.46 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.575 -0.45 . . . . 1.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.7 mmtt -52.29 -5.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.792 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -121.36 -35.54 3.25 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.313 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -104.07 -40.16 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.08 -179.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.05 -23.97 63.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 1.0 110.576 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -99.76 -45.72 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.934 -1.032 . . . . 1.0 110.473 -179.708 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' CG ' ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' NZ ' ' CB ' ' A' ' 2' ' ' LYS . 5.2 ttpm? -56.71 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.668 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.08 -125.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.668 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 3.0 t -118.56 -117.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.351 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.557 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.48 -22.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.85 -58.55 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.995 0.426 . . . . 1.0 110.567 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.35 -6.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.066 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.3 t -105.51 -36.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.704 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.44 -45.63 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.758 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.43 -66.91 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.839 0.352 . . . . 1.0 110.369 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.85 -13.41 0.86 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.553 -1.419 . . . . 1.0 109.553 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.4 tp -102.79 -26.4 13.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.481 . . . . 1.0 110.403 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -114.84 -55.05 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.46 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 1.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.49 -31.49 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -93.41 2.33 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.78 -61.48 1.44 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.369 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.1 t80 -40.71 -50.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.569 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -71.08 -50.63 31.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.687 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.64 -53.9 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -82.61 -35.17 27.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -56.59 -47.06 87.23 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.31 -16.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.26 -74.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.424 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -23.32 -58.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.087 0.867 . . . . 1.0 111.965 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.1 m-85 -72.63 -65.94 0.72 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.959 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 31.3 mmtt -46.78 -10.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.653 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.65 -42.12 3.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.927 179.526 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -41.15 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.519 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.7 tt0 -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.326 . . . . 1.0 111.355 -179.384 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 2.95 56.34 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.869 -0.333 . . . . 1.0 110.651 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.453 179.918 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 tptt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.48 ' CB ' ' HZ3' ' A' ' 2' ' ' LYS . 5.9 ttpm? -174.19 -78.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.58 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.695 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.0 t60 -171.95 -172.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.518 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.695 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.4 t -66.99 -108.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.573 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.05 -24.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.081 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.49 -66.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 1.0 110.237 179.409 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -47.79 -14.68 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -97.9 -38.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.84 -46.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.878 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.99 -67.02 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.96 -0.296 . . . . 1.0 110.414 179.417 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.84 -13.4 0.86 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.451 -1.46 . . . . 1.0 109.451 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -102.66 -25.79 13.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.327 -0.436 . . . . 1.0 110.378 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 79.8 t -111.5 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.695 179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -49.95 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.059 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.03 -31.36 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.246 0.546 . . . . 1.0 109.629 179.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -95.96 7.34 46.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 m -142.93 -74.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.8 t80 -44.28 -46.6 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.492 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -76.68 -25.98 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.62 49.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.602 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.8 -31.09 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -58.89 -44.69 95.88 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -51.48 -17.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 1.0 110.222 -179.929 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.63 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.547 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -25.33 -59.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.91 0.756 . . . . 1.0 111.752 -179.393 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.3 m-85 -73.8 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.35 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.5 mmtm -54.31 -3.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.57 -179.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -123.45 -49.08 1.92 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.689 0.28 . . . . 1.0 110.529 179.415 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -82.58 -43.98 16.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.815 0.34 . . . . 1.0 110.706 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.41 -7.88 58.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.81 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 6.4 mptt -117.79 -45.44 2.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.474 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 pttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -154.18 126.35 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -40.07 -68.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.594 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 5.2 t -166.43 -128.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.088 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.1 pt -92.84 -31.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.175 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.65 -70.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.648 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -46.7 -12.07 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.0 t -100.78 -37.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.12 -44.78 4.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 179.65 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.255 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.62 -13.81 0.88 Allowed Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.376 -1.49 . . . . 1.0 109.376 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.01 -26.09 13.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.284 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.1 t -115.14 -55.94 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.723 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.01 -47.79 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.786 -0.366 . . . . 1.0 110.084 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.78 -31.19 72.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.72 5.31 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.443 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.29 -60.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.475 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.3 t80 -40.07 -50.54 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -68.11 -56.97 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.41 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.6 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -77.41 -40.95 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.781 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.44 -51.2 49.27 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -46.98 -19.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 1.0 110.323 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.2 t90 -105.35 -71.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.423 179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -24.48 -59.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.078 0.861 . . . . 1.0 112.094 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.9 m-85 -72.97 -59.18 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.322 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.7 mmtt -52.93 -4.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.752 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -122.18 -46.64 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.606 0.241 . . . . 1.0 110.943 179.823 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -87.46 -39.09 15.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 1.0 111.047 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.1 tt0 -82.75 -6.18 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.58 16.39 15.5 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.038 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.546 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.7 tttp . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.42 132.6 26.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.574 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 41.19 -126.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.584 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.655 ' HG1' ' H ' ' A' ' 5' ' ' ILE . 2.1 t -127.51 -113.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.308 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.655 ' H ' ' HG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.19 -22.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.16 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.553 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.6 -56.93 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.495 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.78 -5.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.031 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -106.92 -37.56 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.676 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.55 -45.51 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 179.732 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -67.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.102 179.307 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.79 -13.54 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.45 -26.88 13.42 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.251 -0.474 . . . . 1.0 110.366 179.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 90.3 t -110.39 -52.71 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -53.52 5.41 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.562 -0.455 . . . . 1.0 109.863 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.07 -29.73 65.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.2 mt -99.38 12.5 36.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.5 m -135.21 -22.27 1.56 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.36 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ALA . 4.1 t80 -78.31 -48.04 16.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 1.0 110.567 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.1 -49.69 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.27 -43.89 3.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 24.3 m-85 -92.92 -39.21 11.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.425 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.14 -43.84 63.33 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -54.87 -18.32 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 1.0 110.222 179.878 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.0 t90 -105.11 -75.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -21.84 -58.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.048 0.843 . . . . 1.0 112.155 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.7 m-85 -74.3 -65.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -46.5 -13.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.531 -179.189 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.88 -50.19 2.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.0 111.082 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' CD1' ' NZ ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -83.8 -46.29 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.878 -179.235 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -70.77 -4.21 22.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 11.33 16.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' NZ ' ' CD1' ' A' ' 29' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.608 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.545 ' HZ2' ' CB ' ' A' ' 1' ' ' LYS . 8.7 mtmp? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 3' ' ' HIS . 10.2 tptm -160.71 121.87 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' LYS . 2.3 t60 -40.08 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.539 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.637 ' HG1' ' H ' ' A' ' 5' ' ' ILE . 3.1 t -145.49 -118.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.842 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.637 ' H ' ' HG1' ' A' ' 4' ' ' THR . 1.1 pt -99.66 -26.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.303 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.539 ' C ' ' H ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -44.56 -56.8 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.307 179.489 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.01 1.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -115.33 -34.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.91 -43.13 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.511 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -74.3 -67.05 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.936 -0.394 . . . . 1.0 109.936 179.283 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.03 -13.93 0.71 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.428 -1.469 . . . . 1.0 109.428 179.01 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.56 -27.12 13.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.44 -0.38 . . . . 1.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.5 t -110.21 -53.28 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.79 -47.0 7.98 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.3 mt -64.29 -30.31 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.301 0.572 . . . . 1.0 109.639 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -98.55 10.19 41.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.17 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.7 m -143.66 -70.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.385 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.8 t80 -50.57 -44.29 56.69 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.7 mm? -80.72 -47.17 14.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.376 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.22 -55.12 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.923 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -85.55 -34.45 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.42 76.59 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.762 -0.935 . . . . 1.0 110.762 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 1.0 110.235 179.85 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.01 -74.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.434 179.586 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -21.86 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.986 0.804 . . . . 1.0 112.017 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.22 -64.98 0.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.732 -0.387 . . . . 1.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -47.49 -10.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.581 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.63 -50.53 2.62 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.788 0.327 . . . . 1.0 110.937 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.28 -40.36 18.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.859 -179.346 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.604 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -118.27 67.58 0.77 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.303 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.487 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.54 -0.541 . . . . 1.0 109.54 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.12 132.57 9.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.559 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.587 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 40.82 -127.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.607 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.587 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.1 t -125.51 -113.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.461 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.73 -22.87 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.224 179.76 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.56 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.84 -57.89 3.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 1.0 110.571 179.556 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.01 -5.84 0.5 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.983 -179.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.3 t -106.44 -36.93 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.747 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.48 -45.73 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.626 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.59 -67.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.755 0.312 . . . . 1.0 110.363 179.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.65 -13.67 0.86 Allowed Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.436 -1.466 . . . . 1.0 109.436 179.176 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.9 -26.24 13.19 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.354 -0.423 . . . . 1.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.5 t -116.68 -55.55 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.472 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.35 -43.43 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 1.0 110.099 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.4 -33.19 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.678 -0.49 . . . . 1.0 109.678 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.8 mt -89.11 -3.98 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.34 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.41 -64.46 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.32 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -42.23 -48.26 4.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -72.47 -20.43 61.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -82.8 -47.95 11.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -34.18 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.062 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -58.58 -47.08 92.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.734 -0.946 . . . . 1.0 110.734 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -18.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.035 -0.266 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -107.86 -67.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.0 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -26.34 -53.8 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.967 0.792 . . . . 1.0 111.641 -179.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' A' ' 28' ' ' TYR . 5.4 m-85 -74.34 -65.71 0.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 1.0 111.608 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 4.0 mptp? -46.61 -11.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.618 -0.719 . . . . 1.0 111.54 -178.636 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.93 -49.72 2.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.747 0.308 . . . . 1.0 110.896 -179.833 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.9 -45.35 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.858 -179.532 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.54 -20.23 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -104.61 18.1 22.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.593 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.069 -0.967 . . . . 1.0 110.678 179.949 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.4 tttt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -66.49 -17.93 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.678 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 56.64 -126.39 1.92 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.766 179.616 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.678 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.3 t -114.09 -113.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.378 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.591 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 pt -103.14 -24.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.845 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.548 ' C ' ' H ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -43.88 -57.29 3.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.677 179.54 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 1.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.548 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -114.02 -35.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.55 -43.72 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.461 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.7 -67.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 1.0 110.233 179.178 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.37 -14.37 0.91 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 178.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -101.0 -27.02 13.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.265 179.521 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.8 t -114.31 -56.15 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.768 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -42.78 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.325 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.94 -32.82 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -92.06 2.36 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.253 179.477 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.09 -62.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.299 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.3 t80 -45.67 -41.05 9.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.92 60.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.838 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.06 -48.91 6.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.409 . . . . 1.0 110.099 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.04 -44.5 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.588 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.34 -48.24 65.19 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.926 -1.269 . . . . 1.0 109.926 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -70.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 1.0 110.088 179.576 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.3 t90 -53.15 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.432 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.6 mt -24.12 -69.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.936 0.772 . . . . 1.0 111.999 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' C ' ' H ' ' A' ' 28' ' ' TYR . 13.0 m-85 -66.14 -51.63 56.09 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.524 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -64.0 14.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.026 0.38 . . . . 1.0 112.026 -179.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -140.09 -46.48 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.671 0.272 . . . . 1.0 110.284 179.068 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.1 -42.8 12.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 1.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.8 tt0 -80.49 -5.68 57.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -116.01 15.39 16.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.617 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.606 179.96 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 101.7 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.648 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 39.78 -124.15 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.715 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.648 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.3 t -117.18 -113.7 0.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.241 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.75 -23.56 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.102 179.761 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.58 -63.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 1.0 110.352 179.565 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.05 -9.09 0.08 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.139 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -103.08 -37.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.801 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.84 -45.48 5.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 179.708 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.72 -67.74 0.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.742 0.306 . . . . 1.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.51 -14.1 0.9 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.437 -1.465 . . . . 1.0 109.437 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -101.57 -26.34 13.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.343 -0.428 . . . . 1.0 110.18 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.8 t -116.1 -56.23 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.705 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.37 -42.35 4.58 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.215 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.95 -32.5 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 mt -91.41 -0.71 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.345 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.13 -62.1 1.56 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.288 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.0 t80 -45.61 -40.94 9.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.9 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.855 -179.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.21 -48.67 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 1.0 110.153 179.711 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -45.76 25.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 1.0 109.593 179.471 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.98 -47.98 58.92 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.885 -1.286 . . . . 1.0 109.885 179.162 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 1.0 110.193 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.3 t90 -52.91 -67.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.342 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.9 mt -24.88 -69.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.976 0.797 . . . . 1.0 112.022 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.4 m-85 -66.33 -47.95 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.441 -0.504 . . . . 1.0 111.401 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -69.13 25.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.701 -0.399 . . . . 1.0 111.631 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.597 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.77 -46.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.18 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -45.88 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.513 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -75.52 -4.09 37.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 1.0 109.803 179.549 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.04 -52.36 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.071 179.575 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 1.3 mtmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.873 -1.06 . . . . 1.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 tttp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -56.33 -36.36 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.653 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -167.67 -127.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.541 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.653 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.7 t -119.65 -115.96 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.284 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.559 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.88 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.105 179.701 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.13 -58.14 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 1.0 110.41 179.58 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.12 -7.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.045 -179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.4 t -105.02 -37.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.59 -45.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.705 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.36 -66.69 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.302 179.41 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.42 -13.05 1.08 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 109.383 -1.487 . . . . 1.0 109.383 179.079 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -102.87 -26.03 13.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.313 -0.443 . . . . 1.0 110.327 179.56 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.6 t -116.43 -55.57 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.667 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.6 -41.92 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.06 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -69.03 -32.81 72.59 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.464 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.3 mt -90.8 -1.28 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.288 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -118.86 -62.67 1.49 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -44.79 -41.08 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.828 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -17.92 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.813 -179.56 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -90.56 -48.06 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.819 0.343 . . . . 1.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -79.3 -45.5 19.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.683 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.91 -48.62 51.06 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 109.825 -1.31 . . . . 1.0 109.825 178.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.98 -68.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 1.0 110.018 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.5 t90 -54.74 -68.98 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.487 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 24' ' ' TRP . 3.6 mt -22.63 -65.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.997 0.811 . . . . 1.0 112.025 -179.548 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.8 m-85 -70.04 -51.54 31.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.367 -0.533 . . . . 1.0 111.042 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -67.54 31.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.386 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.6 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -160.03 -44.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 179.281 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.23 -35.46 14.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -87.81 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 1.0 110.073 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 7.25 22.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.645 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.642 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 -36.26 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.647 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -165.77 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.534 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.647 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.1 t -118.36 -113.33 0.33 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.303 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.566 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.6 -22.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.123 179.794 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.75 -59.2 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.453 179.542 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.97 -4.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.095 -179.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -107.27 -37.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.24 -45.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.634 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -66.92 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.703 0.287 . . . . 1.0 110.257 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.87 -13.4 0.87 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.16 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.5 tp -102.77 -26.54 13.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.318 -0.441 . . . . 1.0 110.325 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.1 t -115.18 -54.43 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -46.62 7.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.83 -31.26 72.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.53 1.21 56.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.635 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.31 -60.32 1.57 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.0 t80 -40.32 -46.69 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.542 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.2 mm? -73.89 -52.22 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.08 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.697 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -80.63 -39.59 27.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.254 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.22 -44.48 57.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.743 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -19.0 2.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.0 110.537 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.6 t90 -106.57 -66.64 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.682 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -26.63 -54.98 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.985 0.803 . . . . 1.0 111.683 -179.432 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 5.8 m-85 -73.27 -66.34 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.487 . . . . 1.0 111.443 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 4.3 mptp? -44.45 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.395 -178.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.58 -49.54 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.191 -179.486 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -84.04 -34.36 24.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.901 0.382 . . . . 1.0 111.04 -179.028 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.3 tt0 -86.57 23.15 1.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.287 -179.792 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.92 -42.56 1.39 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.663 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' LYS . 1.5 ptmt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.9 -1.048 . . . . 1.0 110.716 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' LYS . 71.9 tttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 47.41 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.526 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.672 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.8 t60 -119.77 -175.23 2.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.672 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.4 t -54.37 -107.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.631 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.4 -26.11 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.981 179.669 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.85 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.986 0.422 . . . . 1.0 110.194 179.509 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.31 -15.33 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.032 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -97.61 -38.25 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.947 -179.802 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.48 -45.12 5.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.29 -67.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.716 0.293 . . . . 1.0 110.239 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.44 -13.95 0.85 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.1 -26.71 13.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.26 179.511 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 84.3 t -114.09 -55.43 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.59 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.51 -30.96 72.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.91 4.19 54.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.69 179.731 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.89 -59.98 1.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.452 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.6 -49.85 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -70.88 -50.57 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.75 11.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.41 -35.34 30.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -57.63 -47.24 89.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.76 -18.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.0 109.886 179.886 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -104.08 -76.91 0.58 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.244 179.458 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.4 mt -20.16 -58.84 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.137 0.898 . . . . 1.0 112.006 -179.65 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -73.64 -67.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.201 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.0 mmtt -46.92 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.293 -179.147 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -114.72 -36.44 4.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.691 -0.231 . . . . 1.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tp -103.89 -35.14 8.26 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.4 tt0 -70.79 -23.88 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.633 0.254 . . . . 1.0 111.546 -179.079 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -95.4 9.82 38.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.062 -0.971 . . . . 1.0 110.617 -179.578 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 pttm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 -38.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.565 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.66 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -166.55 -129.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.469 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.66 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.1 t -117.31 -113.19 0.34 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.359 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.66 -23.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.218 179.687 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.47 -59.7 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.0 110.494 179.484 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.72 -8.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.013 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -104.0 -37.64 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.68 -45.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 179.787 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.15 -66.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.306 179.347 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.93 -13.39 0.88 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 109.441 -1.464 . . . . 1.0 109.441 179.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.0 tp -102.5 -26.21 13.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.338 -0.431 . . . . 1.0 110.377 179.507 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.6 t -114.85 -55.1 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.707 179.704 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.1 -47.86 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.921 -0.4 . . . . 1.0 109.921 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.14 -31.52 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -93.32 1.77 56.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.96 -61.49 1.49 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.313 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 t80 -40.38 -51.35 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -69.82 -52.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.712 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.46 -54.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.673 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -81.34 -37.4 28.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.733 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -54.52 -46.5 73.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.89 -18.61 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 1.0 110.283 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.7 t90 -104.4 -74.07 0.66 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.348 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.28 -60.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.988 0.805 . . . . 1.0 112.212 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.543 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.9 m-85 -71.1 -61.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.419 . . . . 1.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -52.76 -3.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.63 -179.214 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.543 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.97 -33.1 2.48 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 121.037 -0.265 . . . . 1.0 111.437 -179.761 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -102.14 -29.95 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 1.0 110.863 -179.055 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -89.68 -10.01 47.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -105.81 63.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.345 0.593 . . . . 1.0 110.054 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.083 -0.961 . . . . 1.0 110.364 -179.725 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -70.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.614 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -164.47 -128.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.614 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.9 t -125.93 -113.25 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.43 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.551 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.14 -22.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.39 -56.82 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.48 179.555 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -5.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.024 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.23 -36.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.43 -45.78 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 179.665 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.5 -67.01 0.53 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.809 0.338 . . . . 1.0 110.305 179.467 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.89 -13.6 0.92 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.499 -1.44 . . . . 1.0 109.499 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -102.67 -26.16 13.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.317 -0.441 . . . . 1.0 110.349 179.499 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.9 t -116.07 -55.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.25 -43.02 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.157 179.815 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.91 -32.82 73.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.69 -2.69 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.285 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.26 -62.77 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.5 t80 -43.55 -41.65 4.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.811 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -75.4 -22.2 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.861 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.27 -47.8 9.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.81 0.338 . . . . 1.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -82.4 -43.88 16.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.568 -179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -56.89 -43.69 92.54 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 7.7 t80 -57.48 -11.1 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.975 0.416 . . . . 1.0 109.98 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -112.21 -76.24 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.224 179.392 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.47 -57.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.098 0.874 . . . . 1.0 112.05 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.58 -57.5 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.366 -0.533 . . . . 1.0 111.201 -179.879 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -59.22 1.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.402 -178.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.33 -44.6 2.0 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.707 0.289 . . . . 1.0 110.495 179.134 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 -41.91 9.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.064 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.17 -17.37 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 67.31 0.68 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.655 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -97.4 -67.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.625 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.694 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -171.39 -157.13 0.12 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.043 -179.623 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.694 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -69.97 -112.67 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.166 179.212 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -127.19 -24.7 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -39.39 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.906 0.384 . . . . 1.0 111.051 179.537 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.694 ' H ' ' HE2' ' A' ' 3' ' ' HIS . 2.9 mm-40 -46.39 -13.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.414 -179.681 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.4 t -97.94 -32.77 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.662 179.518 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.32 -43.82 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 179.406 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.5 -67.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.349 . . . . 1.0 110.218 179.456 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.39 -13.94 0.83 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 109.398 -1.481 . . . . 1.0 109.398 179.148 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -101.6 -27.35 13.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.356 -0.422 . . . . 1.0 110.217 179.558 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.71 -56.08 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.623 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.33 -47.74 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.25 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -94.4 4.91 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.534 179.71 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.57 -60.43 1.32 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -39.94 -49.15 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 179.898 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.89 -50.34 30.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.4 -54.22 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -80.76 -37.1 31.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.41 -45.8 82.45 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.207 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -108.21 -73.98 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.554 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.84 -56.67 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.046 0.841 . . . . 1.0 111.935 -179.556 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.1 m-85 -75.59 -64.24 1.12 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 1.0 110.867 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.8 mmtm -47.54 -10.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.648 -179.239 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.94 -50.91 2.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.716 0.293 . . . . 1.0 111.029 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 1.1 tt -85.31 -44.64 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.922 -179.647 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -71.78 -15.62 62.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.532 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -114.46 86.28 2.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.089 -0.957 . . . . 1.0 110.56 -179.959 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' NZ ' ' CG2' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -162.78 -34.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.627 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.704 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -170.34 -158.83 0.17 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.105 -179.687 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.704 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -70.43 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.261 179.377 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.534 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -125.3 -24.83 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-O 120.722 0.296 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.665 ' N ' ' HE2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -39.34 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.872 0.368 . . . . 1.0 110.919 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.673 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 75.5 mt-10 -44.99 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.3 -179.862 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 22.6 t -96.22 -33.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.785 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.04 -44.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.468 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.17 -66.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.779 0.323 . . . . 1.0 110.19 179.448 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.61 0.84 Allowed Glycine 0 CA--C 1.517 0.217 0 N-CA-C 109.471 -1.452 . . . . 1.0 109.471 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.0 -27.1 13.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.382 -0.409 . . . . 1.0 110.288 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 85.4 t -115.29 -56.06 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.652 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.75 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 1.0 110.006 179.707 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.41 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 179.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.64 5.84 50.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.55 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -126.53 -60.36 1.25 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.441 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.76 -49.26 2.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -71.84 -50.9 25.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.461 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.35 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.95 -37.46 29.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.07 -47.05 75.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.1 -16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.0 110.32 -179.904 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.9 t90 -107.46 -74.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.522 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.36 -56.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.963 0.79 . . . . 1.0 111.921 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.3 m-85 -75.97 -64.31 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.899 0.381 . . . . 1.0 110.817 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -48.11 -10.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.604 -179.114 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.58 -51.07 2.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 121.062 -0.255 . . . . 1.0 110.966 179.867 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -85.76 -42.78 13.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 1.0 110.952 -179.581 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.33 -14.12 60.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.16 69.71 0.82 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.569 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 1.5 tmtp? -57.66 121.65 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.622 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.704 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 40.33 -167.07 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.067 179.584 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.704 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t -70.94 -115.47 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.832 -179.673 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.08 -24.42 2.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 120.783 0.325 . . . . 1.0 110.684 -179.704 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' N ' ' HE2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -40.41 -70.68 0.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.052 179.641 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.65 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 3.0 mm-40 -48.87 -11.02 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.502 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' H ' ' C ' ' A' ' 6' ' ' TRP . 23.6 t -99.16 -34.32 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.538 179.47 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.08 -44.85 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 109.763 -0.458 . . . . 1.0 109.763 179.385 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.8 -66.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.834 0.35 . . . . 1.0 110.237 179.403 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.2 -13.14 0.97 Allowed Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.442 -1.463 . . . . 1.0 109.442 179.191 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -102.75 -25.95 13.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.33 -0.435 . . . . 1.0 110.35 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 78.4 t -111.46 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.724 179.69 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.34 -48.64 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.988 0.423 . . . . 1.0 110.091 179.881 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.35 -31.18 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.245 0.545 . . . . 1.0 109.607 179.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -96.45 7.65 45.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.448 -0.797 . . . . 1.0 110.251 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' VAL . 18.7 m -142.55 -73.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.517 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.76 -48.44 15.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -73.63 -50.93 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.527 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.67 5.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.749 -179.857 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.06 -37.27 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.57 -46.48 73.83 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.52 -16.49 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.918 0.39 . . . . 1.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.463 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -107.22 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.42 -56.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.991 0.807 . . . . 1.0 111.978 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.44 -64.51 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.875 0.369 . . . . 1.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 17.9 mmtt -47.91 -10.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.688 -179.084 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.66 -51.09 2.81 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.011 -0.276 . . . . 1.0 110.981 179.859 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -42.67 14.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.826 0.346 . . . . 1.0 110.947 -179.603 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -74.55 -14.02 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.615 -179.819 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.31 69.68 0.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.27 179.81 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.4 pttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.439 -0.578 . . . . 1.0 109.439 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -98.37 -36.68 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.528 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 -169.91 -125.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.667 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.8 t -120.43 -116.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.27 179.827 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -111.37 -22.26 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.279 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.49 -56.44 4.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.54 179.655 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.87 -6.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.021 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -106.25 -37.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.75 -46.0 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.652 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.64 -67.7 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.697 0.284 . . . . 1.0 110.384 179.516 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.17 -14.6 0.88 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 179.241 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.3 tp -101.44 -27.11 13.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.456 -0.372 . . . . 1.0 110.182 179.635 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.8 t -117.9 -57.27 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.629 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.08 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.093 179.722 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.32 -32.91 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -91.61 2.16 56.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.147 179.483 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.4 -62.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.18 -40.53 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.794 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.68 -17.19 59.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.953 -179.529 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.26 -47.4 7.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.823 0.345 . . . . 1.0 110.31 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.81 -37.81 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.487 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.49 59.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 24.0 t80 -55.6 -19.02 8.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.109 0.48 . . . . 1.0 109.983 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 31.9 t90 -99.04 -76.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.57 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.27 -59.64 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.03 0.831 . . . . 1.0 112.307 -179.507 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.2 m-85 -70.47 -62.98 1.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.441 -179.473 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -55.13 0.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -127.43 -34.05 2.29 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.043 -0.263 . . . . 1.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 25' ' ' LEU . 1.3 tt -105.61 -39.25 6.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.303 -179.545 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.57 -21.44 63.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.196 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.87 16.46 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.01 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.421 179.617 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -84.95 -84.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.666 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -161.86 -123.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.666 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.9 t -117.69 -116.95 0.32 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.267 179.827 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.564 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.95 -22.88 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.097 179.722 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.17 -60.93 1.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 1.0 110.432 179.516 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.15 -9.46 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.148 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.2 t -102.94 -37.65 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.799 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.82 -45.94 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 179.812 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.94 -67.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.946 -0.302 . . . . 1.0 110.39 179.468 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.97 -13.46 0.91 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -102.57 -26.74 13.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.378 -0.411 . . . . 1.0 110.226 179.596 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 60.1 t -115.89 -56.6 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -42.23 -42.42 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.756 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.99 -40.12 90.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 178.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 24.0 mt -80.57 -10.38 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.708 179.785 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -109.68 -65.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' ALA . 20.0 t80 -39.22 -41.61 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 6.9 mp -74.22 -53.63 9.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.33 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.62 -49.36 37.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.678 -179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -81.26 -35.32 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.753 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -60.84 -49.53 77.54 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -48.62 -18.4 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.124 0.488 . . . . 1.0 109.819 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.4 t90 -104.41 -74.68 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.359 179.693 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.92 -59.0 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.066 0.854 . . . . 1.0 112.071 -179.577 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -70.86 -62.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 23.1 mmtt -53.75 -1.54 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.838 -179.155 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.18 -34.5 2.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.173 179.862 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -104.7 -40.85 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 1.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.44 -20.47 65.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.813 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 1.73 54.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.737 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.582 179.952 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 5.5 ttpm? -155.36 161.32 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 2' ' ' LYS . 1.9 t60 -41.35 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.469 ' CG2' ' H ' ' A' ' 5' ' ' ILE . 5.6 t -148.45 -126.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.746 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.1 pt -99.08 -26.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.072 179.715 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.49 -69.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 1.0 110.468 179.497 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -46.63 -12.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.4 t -99.91 -36.57 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.81 -44.55 4.51 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.631 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.83 -68.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.178 179.359 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.96 -14.46 0.78 Allowed Glycine 0 CA--C 1.518 0.267 0 N-CA-C 109.445 -1.462 . . . . 1.0 109.445 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -100.99 -26.56 13.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.287 -0.457 . . . . 1.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.8 t -117.06 -56.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.635 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.65 -42.28 5.16 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.54 -32.74 72.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 179.369 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mt -91.51 0.18 57.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.247 179.591 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.42 -62.55 1.45 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.336 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -43.49 -40.99 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -22.15 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.822 -179.629 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.49 -47.52 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 1.0 110.504 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -82.52 -43.64 16.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -57.08 -44.28 93.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.2 t80 -57.09 -11.66 1.71 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.057 0.456 . . . . 1.0 110.086 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -111.06 -75.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.188 179.384 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.91 -58.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.172 0.92 . . . . 1.0 112.137 -179.716 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -74.98 -55.75 5.45 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.412 -0.515 . . . . 1.0 111.424 -179.75 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -61.16 4.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.351 -178.543 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -128.04 -43.68 1.49 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.729 0.3 . . . . 1.0 110.406 179.123 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -37.72 11.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.41 -11.46 54.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.569 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -116.01 77.32 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.615 179.872 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.4 mttm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -148.95 92.12 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.563 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.655 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 40.66 -125.37 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.673 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.655 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.9 t -118.19 -117.55 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.543 ' N ' ' HG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.92 -21.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.17 179.72 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.567 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -44.37 -57.17 3.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.973 0.416 . . . . 1.0 110.46 179.627 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -7.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.035 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.94 -37.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.722 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.54 -46.27 5.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.807 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.38 -66.1 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.8 0.333 . . . . 1.0 110.327 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.53 -12.79 1.09 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.135 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -103.85 -25.71 12.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.348 -0.426 . . . . 1.0 110.531 179.728 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' LEU . 92.8 t -112.15 -53.47 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.61 -48.37 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.95 -30.45 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 1.0 109.733 179.297 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.68 7.3 46.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.038 179.431 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 13.2 m -142.5 -74.61 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.7 t80 -44.79 -41.48 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -81.78 -13.56 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.97 -47.11 8.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -85.35 -38.69 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -60.43 -47.73 89.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.796 -0.921 . . . . 1.0 110.796 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 9.0 t80 -55.54 -10.56 0.68 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.0 110.074 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' H ' ' C ' ' A' ' 22' ' ' GLY . 32.5 t90 -110.82 -75.73 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.206 179.426 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.86 -58.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.942 0.776 . . . . 1.0 111.902 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.4 m-85 -73.05 -50.93 20.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.372 -179.51 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -70.16 23.88 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.496 -0.482 . . . . 1.0 111.115 -178.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.15 -46.46 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.03 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.32 -44.07 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.836 -0.345 . . . . 1.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.6 tt0 -75.52 -3.48 34.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.047 0.451 . . . . 1.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.84 -51.29 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.373 179.703 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' LYS . 2.1 ttmt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.931 -1.033 . . . . 1.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.84 -70.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.588 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.616 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.81 -129.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.616 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.0 t -125.21 -113.17 0.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.446 179.767 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.602 ' H ' ' HG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.86 -23.4 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.038 179.673 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.563 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.65 -57.61 3.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 1.0 110.4 179.582 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.9 -9.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.122 -179.826 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.6 t -102.83 -37.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.06 -46.56 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 179.827 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.88 -66.11 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.776 0.322 . . . . 1.0 110.371 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.21 -13.11 0.97 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 179.155 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -103.39 -25.97 13.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.458 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' LEU . 96.3 t -111.63 -53.33 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.35 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 1.0 110.078 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.82 -31.07 72.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 1.0 109.599 179.407 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.9 mt -96.41 7.42 46.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 1.0 110.286 179.404 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 32.6 m -142.37 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.4 t80 -45.1 -50.47 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -69.83 -55.62 9.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.638 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.58 -55.4 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.19 -46.48 17.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.183 179.886 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -43.03 -52.2 5.83 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.327 -1.109 . . . . 1.0 110.327 179.488 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -48.47 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.669 0.271 . . . . 1.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.1 t90 -79.3 -61.01 2.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.58 -179.374 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -30.23 -55.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 1.0 112.414 -178.736 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 4.8 m-85 -70.37 -65.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 1.0 112.007 -179.03 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 11.2 mptt -48.09 -6.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.781 -0.645 . . . . 1.0 112.088 -178.387 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.64 -48.19 2.29 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.223 -0.191 . . . . 1.0 110.911 179.63 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.16 -34.84 17.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.641 -179.777 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.0 tt0 -84.03 -9.21 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.679 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -114.22 16.75 17.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.619 -179.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' H1 ' ' H ' ' A' ' 2' ' ' LYS . 4.5 pttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' H ' ' H1 ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -102.54 -77.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.582 -179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.685 ' CG ' ' H ' ' A' ' 4' ' ' THR . 4.0 t60 -171.97 -171.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.685 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.5 t -77.12 -110.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.575 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.48 -24.47 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.019 179.695 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.56 -63.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 1.0 110.239 179.427 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.28 -12.26 0.14 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.083 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.0 t -100.47 -38.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.63 -46.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.941 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.41 -66.54 0.57 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.709 0.29 . . . . 1.0 110.351 179.434 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.26 -13.16 1.01 Allowed Glycine 0 CA--C 1.518 0.254 0 N-CA-C 109.486 -1.445 . . . . 1.0 109.486 179.241 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -103.12 -25.7 13.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.294 -0.453 . . . . 1.0 110.386 179.745 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' ILE . 92.7 t -111.98 -53.25 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.72 -48.68 7.98 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.023 179.826 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.25 -30.48 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.215 0.531 . . . . 1.0 109.617 179.36 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.56 6.15 49.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.241 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 m -141.53 -72.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.7 t80 -45.75 -47.04 15.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -75.0 -50.97 14.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.24 -54.82 4.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.735 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -81.41 -39.01 25.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.77 -42.84 53.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.788 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -16.17 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 1.0 110.69 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.3 t90 -111.1 -64.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.732 -179.811 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -28.08 -55.02 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.803 0.689 . . . . 1.0 111.501 -179.488 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 28' ' ' TYR . 6.1 m-85 -73.99 -64.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.228 0.537 . . . . 1.0 111.093 179.737 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.8 mptp? -45.65 -12.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.444 -178.547 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.86 -49.95 2.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.629 0.252 . . . . 1.0 111.345 -179.768 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -84.78 -25.27 28.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 1.0 111.304 -178.769 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 tt0 -96.47 18.42 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.092 0.472 . . . . 1.0 109.993 179.889 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 5.34 5.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.978 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.565 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -153.68 112.95 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.708 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 40.31 -166.92 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.079 179.632 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.708 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t -70.77 -115.58 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 121.063 -0.255 . . . . 1.0 110.824 -179.736 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.49 -23.88 2.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.877 0.37 . . . . 1.0 110.691 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' N ' ' HE2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -40.78 -70.52 0.1 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.995 179.631 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.655 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 3.3 mm-40 -49.68 -8.89 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.435 -179.537 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' H ' ' C ' ' A' ' 6' ' ' TRP . 23.6 t -101.38 -33.46 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.541 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -117.11 -43.96 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.04 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.38 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.61 -67.38 0.49 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 1.0 110.225 179.303 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.5 -14.12 0.9 Allowed Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.09 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.28 -26.97 13.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.339 -0.43 . . . . 1.0 110.188 179.615 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.0 t -116.2 -56.96 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.649 179.684 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -46.85 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 179.682 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.29 -31.51 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.434 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.42 5.26 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.439 179.632 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.88 -60.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.401 179.919 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.4 t80 -40.14 -47.06 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.649 179.903 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -70.76 -55.65 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.44 179.789 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.89 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.581 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -75.27 -47.41 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -48.5 -55.68 10.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -34.78 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.612 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.5 t90 -88.41 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.038 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -26.52 -55.57 0.07 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.849 0.718 . . . . 1.0 112.154 -179.321 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -71.42 -58.36 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.507 -179.326 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -66.33 31.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.79 -179.08 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.04 -44.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.041 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -93.29 -39.76 10.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.687 179.8 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -79.78 -0.75 35.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.446 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 -39.5 4.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.589 -179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.0 tttm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' HIS . 34.9 ttpt -156.18 160.51 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.682 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.2 t60 -50.78 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.682 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -57.18 -113.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.669 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.7 -25.81 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.982 179.842 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.5 -69.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.3 179.422 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -45.46 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -97.81 -36.53 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.158 -179.75 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.34 -44.68 4.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 179.726 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.58 -67.65 0.47 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.738 0.304 . . . . 1.0 110.309 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.43 -14.68 0.99 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 109.435 -1.466 . . . . 1.0 109.435 179.154 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -100.73 -26.57 13.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.2 t -116.97 -57.02 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -41.44 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.161 179.842 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.32 -32.78 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.395 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.53 -2.58 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.286 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -117.77 -61.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.2 t80 -46.74 -39.29 11.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -77.71 -13.3 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.041 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.1 -46.89 5.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.838 0.351 . . . . 1.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -82.66 -34.2 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -69.49 -53.25 17.66 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 26.3 t80 -55.45 -11.32 0.81 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.076 0.465 . . . . 1.0 110.126 179.904 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.8 t90 -105.48 -67.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' TRP . 8.3 mt -34.85 -55.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -179.759 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.44 -20.86 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.874 -179.064 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.09 32.65 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.726 -179.829 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.8 -53.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.906 179.35 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -81.64 -45.0 16.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 1.0 110.589 -179.558 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.8 -18.92 64.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.554 -179.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -103.83 -44.68 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.395 179.656 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.07 -0.967 . . . . 1.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -86.91 141.45 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.679 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.6 t60 -81.97 -174.66 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.658 -179.851 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.679 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.4 t -55.44 -109.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.39 -22.93 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.998 179.721 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.76 -64.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.346 179.553 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -52.48 -7.25 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.512 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.88 -37.41 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 121.138 -0.225 . . . . 1.0 110.676 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.21 -44.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.518 -0.549 . . . . 1.0 109.518 179.688 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.81 0.46 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 1.0 110.143 179.238 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.22 -14.04 0.79 Allowed Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.087 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -101.42 -27.03 13.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.3 -0.45 . . . . 1.0 110.353 179.509 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 80.4 t -114.38 -55.74 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.735 179.735 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -48.11 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.06 179.661 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.45 -30.93 71.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.0 mt -96.04 7.8 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.574 179.603 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -127.97 -59.54 1.18 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.9 t80 -40.08 -46.23 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.633 179.863 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mm? -74.23 -51.06 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.671 -179.864 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -80.12 -42.96 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.861 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -50.57 -50.36 36.57 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -21.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.392 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.4 t90 -102.8 -63.04 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -31.05 -51.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.637 0.585 . . . . 1.0 111.708 -179.111 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' A' ' 28' ' ' TYR . 6.4 m-85 -73.54 -62.43 1.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.825 -179.53 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -52.64 -1.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.803 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.57 -44.7 1.96 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.171 -0.211 . . . . 1.0 110.789 179.545 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.53 -33.67 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.493 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.5 tt0 -85.63 -13.86 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.698 0.285 . . . . 1.0 110.561 179.831 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 32' ' ' LYS . 3.9 mptt -110.11 -46.39 3.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.519 179.692 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 31' ' ' LYS . 6.8 mtmm . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.597 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.1 tttp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -71.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.647 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -163.86 -130.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.647 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.1 t -124.56 -114.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.425 179.815 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.561 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.06 -22.87 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.086 179.728 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.97 -56.99 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.399 179.568 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.9 -10.8 1.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.97 -179.801 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.55 -38.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.56 -46.89 6.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.106 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.889 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.43 -66.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.309 179.423 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.14 -13.18 0.94 Allowed Glycine 0 CA--C 1.519 0.29 0 N-CA-C 109.481 -1.448 . . . . 1.0 109.481 179.195 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.56 -25.24 13.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.367 -0.417 . . . . 1.0 110.514 179.742 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' ILE . 95.4 t -112.22 -53.31 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.678 179.754 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.75 -49.07 8.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.031 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.06 -30.39 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 109.661 179.284 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -96.41 7.22 47.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.154 179.427 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 m -143.05 -74.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.6 t80 -44.23 -40.65 5.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.1 mm? -81.97 -15.35 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.09 -46.85 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.502 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -85.31 -41.06 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.86 -46.67 92.13 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.835 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.4 t80 -56.88 -12.32 1.9 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.956 0.408 . . . . 1.0 110.05 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -109.02 -76.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.136 179.477 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -24.32 -59.38 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.029 0.83 . . . . 1.0 112.17 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -72.31 -55.89 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.131 -0.628 . . . . 1.0 111.172 -179.445 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.33 10.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.538 -178.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -136.9 -36.74 0.67 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.669 0.271 . . . . 1.0 110.374 179.097 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.78 -40.08 7.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.396 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.55 -12.43 61.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.842 0.353 . . . . 1.0 110.523 -179.8 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.56 88.04 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.514 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 3' ' ' HIS . 13.1 mtmt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.65 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.61 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -164.45 -128.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.61 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 2.0 t -126.5 -113.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.563 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -23.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.049 179.669 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -43.93 -57.5 3.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.465 179.598 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.57 -7.58 0.68 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.069 -179.757 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.66 -38.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.768 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.02 -46.0 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.46 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.359 179.504 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.05 -13.16 0.88 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.114 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.82 -27.08 12.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.493 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.4 t -111.19 -52.72 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.683 179.742 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.83 -46.45 5.26 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.142 -0.318 . . . . 1.0 110.142 179.862 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.75 -32.06 73.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 179.374 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.5 mt -96.7 15.92 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.272 179.296 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.1 m -136.17 -61.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.618 . . . . 1.0 109.69 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.5 t80 -45.04 -47.84 11.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.052 179.235 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.1 mm? -80.05 -44.26 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.301 179.591 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -55.72 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.63 -33.13 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 1.0 110.16 179.762 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.38 -44.08 52.4 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.469 -1.052 . . . . 1.0 110.469 179.553 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.59 -19.63 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.058 0.456 . . . . 1.0 110.308 179.809 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -102.4 -76.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.724 179.307 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.1 mt -22.02 -61.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 124.027 0.829 . . . . 1.0 112.309 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.4 m-85 -71.4 -60.76 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.269 -0.572 . . . . 1.0 111.649 -179.291 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.8 mmtp -54.26 -17.48 2.94 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.648 -0.421 . . . . 1.0 111.777 -178.85 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -100.23 -40.34 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.792 179.392 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -95.82 -43.37 7.89 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.502 -0.479 . . . . 1.0 111.052 -179.749 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.1 tp-100 -50.24 -36.49 31.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 1.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -93.65 -45.18 7.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.773 -179.509 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' OXT' ' O ' ' A' ' 29' ' ' LEU . 15.3 mmtp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' CG ' ' H ' ' A' ' 3' ' ' HIS . 3.6 pttm -96.7 -108.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.441 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.684 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.7 t60 -93.82 -130.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.684 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.6 t -112.33 -109.28 0.35 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.33 179.854 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.6 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -24.94 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.903 179.786 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.63 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 1.0 110.36 179.443 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -48.26 -12.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -99.86 -37.97 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.198 -179.842 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.78 -44.74 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 179.658 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.724 0.297 . . . . 1.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.99 -13.63 0.96 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.77 -26.52 13.44 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.256 -0.472 . . . . 1.0 110.203 179.514 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.6 t -117.21 -56.66 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.97 -41.45 5.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.079 179.835 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.11 -32.6 72.11 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.91 -2.04 57.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.363 179.451 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.94 -62.24 1.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -45.47 -39.91 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -76.33 -17.88 59.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.017 -179.614 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.32 -47.49 7.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.953 0.406 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -77.35 -42.58 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.19 -47.22 87.25 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.896 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 39.6 t80 -56.11 -8.12 0.43 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.827 0.346 . . . . 1.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' H ' ' C ' ' A' ' 22' ' ' GLY . 26.7 t90 -116.13 -73.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.408 179.748 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.4 mt -23.59 -51.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.09 0.869 . . . . 1.0 111.932 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' C ' ' H ' ' A' ' 28' ' ' TYR . 5.0 m-85 -73.93 -74.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.948 -179.623 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -45.87 -10.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.937 0.347 . . . . 1.0 111.937 -178.537 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -111.42 -49.64 2.99 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.886 179.722 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -88.47 -42.59 12.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.006 -179.372 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.8 tt0 -74.31 -14.35 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.721 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -118.22 68.68 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.277 179.783 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.931 -1.033 . . . . 1.0 110.483 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.761 0.315 . . . . 1.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.12 -21.59 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.148 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.69 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.33 -57.01 3.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.896 0.379 . . . . 1.0 110.605 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.03 -5.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.957 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.79 -36.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.651 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.75 -45.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.57 -66.87 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.788 0.328 . . . . 1.0 110.221 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.91 -13.38 0.87 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.495 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.92 -26.36 13.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.268 -0.466 . . . . 1.0 110.358 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.1 t -115.05 -54.92 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.608 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.11 -46.85 5.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.861 0.362 . . . . 1.0 110.054 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -65.23 -31.54 72.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.58 2.51 56.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.57 -60.89 1.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.44 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.7 t80 -40.59 -48.37 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.58 -57.86 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.726 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.07 -53.11 4.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.76 -41.91 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.51 58.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.43 -17.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 1.0 110.308 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -106.47 -73.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.506 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.51 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.079 0.862 . . . . 1.0 112.126 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.15 -64.31 1.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 1.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -47.75 -10.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.93 -51.2 2.79 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 121.052 -0.259 . . . . 1.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.29 -42.62 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 1.0 110.93 -179.583 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -74.61 -13.9 60.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.611 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.25 179.806 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.779 0.324 . . . . 1.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.608 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.58 -22.23 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.147 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.678 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.43 -57.32 3.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.486 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -4.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.027 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -107.68 -37.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.18 -45.53 5.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.538 -0.542 . . . . 1.0 109.538 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.66 -66.67 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.8 0.333 . . . . 1.0 110.227 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.09 -13.23 0.92 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.2 tp -102.79 -26.43 13.15 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.265 -0.467 . . . . 1.0 110.299 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 71.1 t -114.07 -54.99 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.682 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.26 -48.75 6.73 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.57 -30.45 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.5 mt -95.8 5.03 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.636 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.82 -59.49 1.35 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.341 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.4 t80 -39.83 -48.94 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.631 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.35 -51.97 18.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.5 -54.29 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -81.11 -38.67 26.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.703 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -47.02 66.24 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.11 -17.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 1.0 110.243 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.5 t90 -106.63 -73.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.4 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.066 0.854 . . . . 1.0 111.942 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.42 -63.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.908 0.385 . . . . 1.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -48.59 -8.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.645 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -115.35 -51.19 2.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.657 0.265 . . . . 1.0 110.862 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.26 -44.2 13.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.836 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.66 -15.89 61.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.561 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.603 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.51 -21.88 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.18 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.47 -57.0 3.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -6.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.959 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.76 -37.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.759 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.31 -45.49 4.94 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.6 -66.66 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.251 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.01 -13.17 0.86 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 tp -102.97 -26.62 13.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.365 -0.418 . . . . 1.0 110.319 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.3 t -114.77 -55.18 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.627 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.64 7.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.87 -30.79 71.84 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.2 mt -95.82 6.65 48.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.505 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -127.23 -59.66 1.23 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.437 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.94 -49.31 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.72 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.24 -50.2 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.614 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -80.78 -37.22 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.32 -45.7 82.28 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.71 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 1.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.4 t90 -107.63 -74.04 0.67 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.412 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.6 -57.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.948 0.78 . . . . 1.0 111.981 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.0 m-85 -75.36 -64.23 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.89 0.376 . . . . 1.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.2 mmtm -47.51 -11.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.686 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.54 -51.2 2.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.07 -0.252 . . . . 1.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.28 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 1.0 110.942 -179.526 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -75.03 -13.61 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.312 179.856 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.711 0.291 . . . . 1.0 110.505 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.646 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.77 -25.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.982 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.7 -65.46 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -48.51 -14.76 0.07 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.065 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -98.19 -39.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.063 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -110.5 -46.42 6.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.87 -66.89 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 110.218 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.95 -13.63 0.94 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.2 -25.64 13.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.39 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 75.4 t -111.36 -53.56 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.729 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -49.48 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.013 -0.365 . . . . 1.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.3 mt -61.61 -30.98 71.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -96.17 6.52 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.385 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.5 m -141.85 -73.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.49 -48.76 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.488 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.12 -51.15 19.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.49 5.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.42 -37.46 25.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.691 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -46.73 70.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.18 -16.93 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.73 -74.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.497 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.38 -56.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.021 0.825 . . . . 1.0 112.067 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.46 -64.54 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 1.0 110.966 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.82 -10.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.662 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.11 -51.34 2.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.654 0.264 . . . . 1.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.98 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.913 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -74.05 -14.38 60.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.282 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 1.0 110.434 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.8 -21.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.294 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.01 -65.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.037 0.446 . . . . 1.0 110.338 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -50.16 -9.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.135 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -102.24 -36.2 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.939 -0.305 . . . . 1.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.42 -44.51 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.783 0.325 . . . . 1.0 110.255 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.57 -14.08 0.92 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 109.399 -1.48 . . . . 1.0 109.399 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.1 tp -101.3 -26.55 13.59 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.235 -0.482 . . . . 1.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.7 -57.17 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.645 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -43.22 5.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.097 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.27 -32.5 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.95 1.46 57.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.288 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.47 -62.58 1.41 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.282 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.43 -42.18 4.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.15 -20.37 59.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.835 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.6 -47.68 8.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 1.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -81.96 -33.14 30.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.569 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.03 -51.01 42.24 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.02 -25.03 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.953 0.406 . . . . 1.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.2 t90 -98.74 -69.72 0.75 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -23.58 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.93 0.769 . . . . 1.0 111.994 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.3 m-85 -71.29 -64.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.98 0.419 . . . . 1.0 111.36 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -49.03 -7.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 1.0 112.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.53 -47.38 2.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.704 0.287 . . . . 1.0 110.699 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.08 -42.33 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.838 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PHE . 30.6 tt0 -75.64 -12.79 60.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.468 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 6' ' ' TRP . 1.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 1.0 110.679 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.605 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.69 -21.7 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.181 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.64 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -58.32 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.461 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.34 -7.63 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.872 -0.331 . . . . 1.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -103.58 -37.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.734 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.57 -45.6 5.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.56 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.852 0.358 . . . . 1.0 110.176 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.58 0.83 Allowed Glycine 0 CA--C 1.519 0.284 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 tp -102.25 -26.34 13.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.259 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -115.38 -55.81 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -47.39 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.074 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.75 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -93.84 3.98 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.619 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -124.36 -61.41 1.34 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.7 t80 -40.59 -49.59 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.605 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -71.55 -52.45 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.57 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.731 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.37 -38.34 26.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.744 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -46.83 66.59 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.44 -17.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 1.0 110.351 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -106.79 -72.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.424 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.96 -58.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.09 0.869 . . . . 1.0 111.956 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.8 m-85 -73.83 -62.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -50.59 -6.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.776 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.88 -47.31 2.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.673 0.273 . . . . 1.0 110.916 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.6 -38.8 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 1.0 110.918 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -80.95 -13.08 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 N--CA 1.462 0.126 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.845 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.607 0.242 . . . . 1.0 110.569 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.649 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.46 -24.04 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.106 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.97 -66.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.999 0.428 . . . . 1.0 110.25 179.439 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -48.05 -13.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.9 t -99.14 -39.07 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.11 -45.06 5.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.86 -67.54 0.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.732 0.301 . . . . 1.0 110.312 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.78 -13.74 0.91 Allowed Glycine 0 CA--C 1.518 0.28 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.5 tp -101.78 -26.43 13.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.245 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.4 t -117.02 -56.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.746 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -41.96 4.58 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.063 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.04 -33.29 73.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.4 mt -90.45 0.16 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.189 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.22 -63.5 1.36 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.9 t80 -43.37 -42.53 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.777 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.15 -21.64 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.861 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.44 -48.5 8.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 1.0 110.463 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -80.81 -36.3 31.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -63.05 -53.14 42.5 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.71 -0.956 . . . . 1.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.1 -38.29 4.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.965 0.412 . . . . 1.0 110.412 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 25.4 t90 -85.29 -67.86 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.084 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.9 mt -24.08 -56.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.846 0.716 . . . . 1.0 112.438 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 9.2 m-85 -70.99 -65.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.806 -0.358 . . . . 1.0 111.885 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.51 -2.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -121.42 -42.36 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.273 . . . . 1.0 110.535 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -94.97 -38.11 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PHE . 27.0 tt0 -82.1 -8.54 59.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.642 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.105 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.216 179.721 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.709 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.616 0.246 . . . . 1.0 110.382 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.709 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.87 -24.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.055 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.58 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.78 -65.33 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.926 0.393 . . . . 1.0 110.422 179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -12.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -99.94 -38.69 6.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -45.6 5.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.71 -67.41 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 1.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.34 -14.41 0.91 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.489 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.7 tp -101.38 -26.72 13.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.06 -56.08 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.638 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -42.65 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.092 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 tp -68.18 -33.46 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.0 mt -89.96 -2.69 58.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.361 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.36 -63.43 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.425 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.21 -43.53 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.92 -21.49 60.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.867 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.89 -48.4 8.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 1.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.11 -38.72 26.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -60.8 -52.49 52.06 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 1.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 24.9 t90 -89.52 -67.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.101 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -24.77 -55.6 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.899 0.75 . . . . 1.0 112.233 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 8.7 m-85 -71.65 -65.3 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.937 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.42 -1.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.368 0.507 . . . . 1.0 112.368 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -122.44 -43.28 2.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.646 0.26 . . . . 1.0 110.551 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -94.02 -38.73 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' PHE . 26.7 tt0 -81.08 -9.44 59.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.436 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.025 179.81 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.67 0.272 . . . . 1.0 110.561 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.88 -25.56 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.949 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.09 -69.17 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 1.0 110.134 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -45.69 -14.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.6 t -97.69 -38.78 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.934 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.97 -45.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.06 -66.84 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.746 0.308 . . . . 1.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.3 0.95 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.38 -25.56 13.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.301 -0.449 . . . . 1.0 110.341 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 74.3 t -111.52 -53.31 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.56 -49.7 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.028 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.5 mt -61.34 -30.42 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 1.0 109.642 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -96.3 6.53 48.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.289 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.7 m -142.48 -73.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.523 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.1 t80 -44.89 -45.19 10.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -77.79 -50.54 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.15 -54.79 4.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.67 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -82.57 -38.7 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.59 -46.57 58.82 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.17 -17.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 1.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.32 -57.3 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.99 0.806 . . . . 1.0 112.089 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.4 m-85 -75.19 -64.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.5 mmtt -47.44 -10.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.572 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.68 -51.2 2.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.676 0.274 . . . . 1.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.22 -44.22 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 1.0 111.043 -179.624 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -71.59 -16.56 62.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.719 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mptt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.543 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.67 0.272 . . . . 1.0 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.27 -22.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.212 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.34 3.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.502 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.38 -5.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.966 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.17 -37.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.734 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.97 -45.66 5.11 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.7 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.138 -0.319 . . . . 1.0 110.138 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.23 -13.14 0.99 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.7 tp -102.76 -26.2 13.25 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.393 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.15 -54.97 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.645 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -47.19 7.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.52 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.5 mt -93.3 2.14 56.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.71 -61.57 1.44 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.2 t80 -40.43 -50.21 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.692 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.16 -52.38 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.06 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.758 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.54 -38.15 26.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.81 -46.96 66.69 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.28 -17.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 1.0 110.265 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.488 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.01 -74.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.418 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.91 -57.83 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.02 0.825 . . . . 1.0 112.015 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.6 m-85 -74.87 -64.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -46.98 -10.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.517 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.08 -50.81 2.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.663 0.268 . . . . 1.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -32.81 22.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.21 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' PHE . 15.3 tt0 -86.4 -11.91 50.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.69 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 1.0 110.597 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.746 0.308 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.702 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -118.62 -24.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.111 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.588 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.44 -62.98 0.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 1.0 110.461 179.546 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.78 -8.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.109 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -103.58 -37.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.58 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.02 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.776 0.322 . . . . 1.0 110.315 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.58 -13.76 0.85 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.26 -26.66 13.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.391 -0.405 . . . . 1.0 110.367 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 79.3 t -114.18 -55.05 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.698 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.41 6.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.372 . . . . 1.0 110.102 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.78 -31.14 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.64 3.98 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.41 -60.17 1.42 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.76 -49.84 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.33 -50.48 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.55 -54.07 10.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.96 -36.37 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.18 -46.19 86.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -53.58 -15.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 1.0 110.168 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.9 -74.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.468 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.32 -56.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.006 0.816 . . . . 1.0 111.948 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.9 m-85 -75.44 -64.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.944 0.402 . . . . 1.0 110.952 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.1 mmtm -47.8 -10.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.483 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.74 -50.25 2.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.891 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.36 -40.81 17.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.836 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' PHE . 10.6 tt0 -78.08 -12.73 60.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.626 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.296 179.796 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.636 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.767 0.318 . . . . 1.0 110.54 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.72 -25.75 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.966 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.589 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.31 -70.25 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.308 179.375 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -45.51 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.383 -0.372 . . . . 1.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -98.15 -36.73 5.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.07 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.18 -44.31 4.32 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.81 -67.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 1.0 110.241 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.6 -14.43 1.0 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.8 tp -100.38 -26.94 13.71 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.251 -0.475 . . . . 1.0 110.239 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.3 t -117.02 -57.17 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.684 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -42.37 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.0 110.052 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -68.76 -33.14 73.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.34 2.06 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.337 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.2 -62.77 1.35 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -43.65 -41.67 4.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.712 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.76 -21.67 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.768 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.35 -48.21 8.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.413 . . . . 1.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -81.06 -35.31 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.472 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.6 -53.19 36.7 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -45.26 -38.86 5.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.011 0.434 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 24.8 t90 -83.62 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -23.09 -56.79 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.945 0.778 . . . . 1.0 112.163 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.7 m-85 -71.39 -60.69 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.592 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -66.12 31.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.087 0.402 . . . . 1.0 112.087 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.06 -53.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.055 -0.35 . . . . 1.0 110.055 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -86.5 -36.99 18.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 1.0 110.598 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 31.6 tt0 -86.57 -5.11 59.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.234 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--O 1.232 0.155 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.31 179.797 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.884 0.373 . . . . 1.0 110.222 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.676 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.58 -25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.882 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.599 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.85 -66.51 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.299 179.359 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -48.77 -11.97 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.6 t -100.86 -38.3 6.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.894 -0.322 . . . . 1.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.29 -45.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.76 -67.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.847 0.356 . . . . 1.0 110.183 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.01 -13.6 0.96 Allowed Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.9 tp -101.49 -26.37 13.59 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.308 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 88.9 t -114.44 -55.38 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.23 -48.59 6.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 1.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.61 -30.84 71.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.595 -0.52 . . . . 1.0 109.595 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -95.01 4.61 53.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.627 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.49 -60.11 1.34 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.395 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.2 t80 -39.46 -49.58 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.731 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.64 -50.9 26.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.519 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.88 -54.24 8.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.643 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -81.01 -37.29 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.707 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.15 77.77 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.61 -17.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 1.0 110.171 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.19 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.475 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.88 -57.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.033 0.833 . . . . 1.0 112.072 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.4 m-85 -75.31 -64.98 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.944 0.402 . . . . 1.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.69 -10.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.517 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.15 -50.71 2.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.743 0.306 . . . . 1.0 110.829 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.69 -45.39 13.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.79 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.7 -15.5 62.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.709 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.565 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.723 0.297 . . . . 1.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.03 -22.18 5.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.21 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.53 -56.6 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.82 -5.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.954 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.99 -38.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.733 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.96 -45.86 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -67.42 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.75 0.309 . . . . 1.0 110.319 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.16 -14.68 0.89 Allowed Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.504 -1.438 . . . . 1.0 109.504 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.9 -26.49 13.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.407 -0.397 . . . . 1.0 110.396 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 9' ' ' ILE . 53.5 t -116.19 -55.72 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.66 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -42.53 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.13 -33.19 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.04 -3.6 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.342 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.34 -62.95 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.8 t80 -43.43 -42.4 4.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.55 -21.19 59.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.88 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.66 -48.14 8.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 1.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.07 -35.22 32.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.27 -52.96 39.44 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -33.59 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 1.0 110.369 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.4 t90 -89.57 -68.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.063 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.97 -53.93 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.854 0.721 . . . . 1.0 112.294 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.7 m-85 -72.28 -67.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.594 -0.442 . . . . 1.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -53.4 1.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -127.31 -37.53 2.03 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.865 179.445 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -102.61 -40.01 6.83 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 1.0 111.222 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -68.32 -23.73 64.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.758 0.313 . . . . 1.0 111.088 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 1.0 110.77 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 6' ' ' TRP . 1.9 t . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.663 0.268 . . . . 1.0 110.315 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.638 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.83 -22.77 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.112 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.26 -56.93 3.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.339 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -10.49 1.11 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.88 -38.35 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.46 -46.74 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.68 -66.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.301 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.09 0.9 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.452 -1.459 . . . . 1.0 109.452 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.49 -25.56 13.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.361 -0.419 . . . . 1.0 110.457 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 96.2 t -112.22 -53.3 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.76 -47.43 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.2 mt -63.43 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 1.0 109.626 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -96.79 7.67 46.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.404 -0.816 . . . . 1.0 110.161 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 m -142.2 -73.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.461 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.2 t80 -46.19 -49.0 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.75 -50.05 26.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.612 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.49 -54.55 7.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -82.11 -35.37 28.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.534 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.28 -44.62 89.34 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.88 -16.89 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 1.0 110.048 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CE2' ' CD2' ' A' ' 28' ' ' TYR . 27.7 t90 -105.96 -75.5 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.339 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.31 -58.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.062 0.851 . . . . 1.0 112.053 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -72.87 -63.18 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.927 0.394 . . . . 1.0 110.834 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.4 mmtm -51.14 -6.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.716 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.18 -41.73 2.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.596 0.236 . . . . 1.0 111.137 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -95.4 -42.93 8.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.86 0.362 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 8.2 tt0 -73.29 -20.55 60.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.661 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.622 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.735 0.302 . . . . 1.0 110.325 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.69 -24.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.089 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -57.22 3.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.72 0.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.014 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -112.93 -35.31 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.462 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.54 -44.03 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.575 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.59 -66.83 0.61 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.69 -13.52 0.84 Allowed Glycine 0 CA--C 1.519 0.323 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.4 -26.73 13.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.305 -0.448 . . . . 1.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.2 t -113.58 -54.85 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -47.96 6.22 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.206 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.22 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -94.99 3.99 54.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.617 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.28 -59.54 1.47 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -40.35 -45.42 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.644 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.08 -56.26 5.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.436 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -56.49 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.353 . . . . 1.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -75.29 -46.52 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.246 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -46.42 -56.77 6.94 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.838 0.352 . . . . 1.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.2 t90 -54.43 -66.96 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.33 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -23.46 -67.73 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.887 0.742 . . . . 1.0 112.256 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.612 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.0 m-85 -63.34 -59.98 3.98 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 5.3 mptt -60.09 21.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.308 0.484 . . . . 1.0 112.308 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -146.84 -47.48 0.18 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.967 -0.382 . . . . 1.0 109.967 179.138 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.54 -33.68 15.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 1.0 110.776 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 33.9 tt0 -86.88 -5.57 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.672 179.859 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.743 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.4 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.867 0.365 . . . . 1.0 110.149 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.622 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -105.96 -23.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.928 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.743 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.13 3.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.53 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.15 1.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.017 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -113.27 -34.69 2.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.466 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.01 -43.96 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.63 -66.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.176 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.83 -14.54 1.11 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 tp -100.83 -27.61 13.24 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.249 -0.475 . . . . 1.0 110.215 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.3 t -117.54 -58.03 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.646 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.66 5.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.012 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.2 tp -69.1 -32.64 72.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -92.9 5.11 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.109 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -125.33 -62.56 1.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.7 t80 -44.04 -40.93 5.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.644 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.74 -21.66 57.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.792 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.5 -48.2 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.521 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.4 -35.91 34.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.35 -53.88 33.17 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -44.27 -40.04 4.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.825 0.345 . . . . 1.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.614 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.0 t90 -81.61 -71.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.8 mt -20.8 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.08 0.862 . . . . 1.0 112.171 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.0 m-85 -73.38 -61.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.645 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 12.7 mttp -66.57 32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.862 -0.335 . . . . 1.0 111.81 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -154.45 -45.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.013 0.435 . . . . 1.0 109.837 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.87 -30.91 13.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 30.9 tt0 -94.73 -6.69 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.526 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HZ3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.773 0.32 . . . . 1.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -117.88 -23.66 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.21 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.626 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.73 -61.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.591 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.56 -3.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.075 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.473 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -108.05 -35.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.529 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.12 -44.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.562 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.89 -66.87 0.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.837 0.351 . . . . 1.0 110.244 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.75 -13.64 0.88 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.413 -1.475 . . . . 1.0 109.413 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.03 -27.03 13.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.384 -0.408 . . . . 1.0 110.228 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.4 t -114.2 -55.77 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.95 -47.91 5.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.48 -31.09 72.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -95.04 4.37 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.585 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.52 -59.92 1.43 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.416 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.2 t80 -40.08 -44.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.62 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -73.88 -58.07 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.61 -56.73 2.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.724 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -74.3 -49.36 23.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -44.06 -57.7 4.7 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -67.57 0.22 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.343 . . . . 1.0 110.415 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.621 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 23.2 t90 -55.74 -66.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.52 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -21.57 -64.52 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.962 0.789 . . . . 1.0 112.311 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.6 m-85 -68.96 -57.34 5.61 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.3 mptp? -62.5 21.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 1.0 112.064 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -145.94 -50.62 0.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -84.12 -39.41 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.566 179.842 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.9 tt0 -85.1 -4.99 59.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.237 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 C--O 1.232 0.164 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.48 179.752 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 6' ' ' TRP . 6.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 1.0 110.202 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.669 ' N ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -104.19 -24.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.048 179.651 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.763 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.46 -64.1 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 1.0 110.512 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.11 -8.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.058 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.63 -37.39 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.25 5.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.25 -67.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.339 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.55 -14.39 0.98 Allowed Glycine 0 CA--C 1.52 0.35 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.77 -26.32 13.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.283 -0.458 . . . . 1.0 110.383 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.1 t -116.14 -56.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -42.33 4.72 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.2 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.84 -32.51 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.2 mt -91.63 -0.47 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.214 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.51 -62.08 1.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.324 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.41 -41.05 8.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.65 -17.07 60.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.825 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.81 -48.79 6.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.179 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.17 -44.7 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.649 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.13 -47.48 67.08 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.96 -1.256 . . . . 1.0 109.96 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -70.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 1.0 110.126 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t90 -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.403 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.8 mt -24.06 -69.72 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.887 0.742 . . . . 1.0 111.945 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 12.5 m-85 -65.46 -50.88 63.7 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.264 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.12 23.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.818 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -149.17 -47.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.167 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -36.63 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.811 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.2 tt0 -87.04 -4.47 59.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.781 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 6' ' ' TRP . 4.0 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.789 0.328 . . . . 1.0 110.747 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.49 -21.36 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.156 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.744 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.4 -60.32 1.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.42 -8.61 0.36 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.743 -0.383 . . . . 1.0 111.096 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -102.32 -37.4 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.53 -45.45 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.776 0.322 . . . . 1.0 110.251 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.13 -14.11 0.78 Allowed Glycine 0 CA--C 1.518 0.237 0 N-CA-C 109.568 -1.413 . . . . 1.0 109.568 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.95 -26.78 13.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.324 -0.438 . . . . 1.0 110.28 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 65.6 t -114.48 -55.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -48.83 6.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.61 -31.04 72.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.3 mt -95.33 5.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.95 -59.74 1.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.348 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 t80 -39.87 -50.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -70.91 -50.6 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.56 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.12 -54.39 8.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -81.11 -36.39 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.617 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.35 85.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.67 -15.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 1.0 110.156 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.1 t90 -107.89 -74.77 0.65 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.24 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.094 0.871 . . . . 1.0 111.945 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.29 -63.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.956 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 38.0 mmtm -49.09 -8.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.519 -179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.21 -48.49 2.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.748 0.309 . . . . 1.0 110.977 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -87.44 -33.98 18.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.239 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' PHE . 16.7 tt0 -86.5 -9.83 55.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.869 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.233 0.196 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.819 -179.779 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.5 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.722 0.296 . . . . 1.0 110.591 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.657 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.2 -24.4 3.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.14 -64.91 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 1.0 110.314 179.562 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -49.65 -13.71 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -98.44 -38.27 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -46.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.0 -67.19 0.49 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.802 0.334 . . . . 1.0 110.276 179.408 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.53 -13.98 0.88 Allowed Glycine 0 C--N 1.331 0.268 0 N-CA-C 109.519 -1.433 . . . . 1.0 109.519 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.8 tp -101.94 -25.9 13.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.368 -0.416 . . . . 1.0 110.422 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.6 t -110.82 -53.83 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.688 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -49.51 6.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 65.7 mt -61.6 -31.57 71.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.232 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.39 7.98 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.361 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.5 m -142.52 -73.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.4 t80 -46.07 -52.01 12.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.414 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.88 -49.71 49.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.53 -55.34 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.566 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -82.14 -35.55 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.61 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.61 82.24 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.35 -18.09 3.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.391 . . . . 1.0 110.085 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -104.3 -75.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.398 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.13 -59.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.044 0.84 . . . . 1.0 112.085 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -71.53 -63.69 1.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.973 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.6 mmtt -51.6 -6.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.79 -179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.94 -35.83 3.41 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.325 -179.834 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -103.72 -40.43 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.098 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 1.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.648 0.261 . . . . 1.0 110.383 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.674 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -115.77 -23.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.151 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.07 -61.12 1.39 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 1.0 110.471 179.531 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.26 -8.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.1 t -103.39 -37.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.38 -45.73 5.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.746 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.12 -66.99 0.53 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.732 0.301 . . . . 1.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.96 -13.44 0.9 Allowed Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.41 -26.32 13.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.415 -0.393 . . . . 1.0 110.38 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 67.2 t -114.84 -55.15 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.674 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -47.48 5.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 1.0 110.083 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.31 -31.99 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.8 mt -92.57 1.03 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.6 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.14 -61.87 1.5 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.341 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.8 t80 -40.29 -52.08 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -69.05 -51.4 39.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.41 -54.61 7.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.46 -36.09 29.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.66 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.74 -45.77 84.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.3 -17.92 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.388 . . . . 1.0 110.071 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.4 t90 -104.45 -75.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.97 -59.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.948 0.78 . . . . 1.0 112.153 -179.626 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -71.46 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.575 -0.45 . . . . 1.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.7 mmtt -52.29 -5.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.792 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -121.36 -35.54 3.25 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.313 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -104.07 -40.16 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.08 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -70.05 -23.97 63.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 1.0 110.576 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.605 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.727 0.298 . . . . 1.0 110.351 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.48 -22.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.85 -58.55 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.995 0.426 . . . . 1.0 110.567 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.35 -6.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.066 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -105.51 -36.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.704 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.44 -45.63 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.758 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.43 -66.91 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.839 0.352 . . . . 1.0 110.369 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.85 -13.41 0.86 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.553 -1.419 . . . . 1.0 109.553 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.4 tp -102.79 -26.4 13.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.481 . . . . 1.0 110.403 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -114.84 -55.05 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.46 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 1.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.49 -31.49 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -93.41 2.33 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.78 -61.48 1.44 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.369 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.1 t80 -40.71 -50.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.569 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -71.08 -50.63 31.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.687 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.64 -53.9 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -82.61 -35.17 27.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.59 -47.06 87.23 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.31 -16.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.26 -74.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.424 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -23.32 -58.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.087 0.867 . . . . 1.0 111.965 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.1 m-85 -72.63 -65.94 0.72 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.959 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 31.3 mmtt -46.78 -10.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.653 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.65 -42.12 3.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.927 179.526 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.33 -41.15 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.519 -179.354 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PHE . 40.5 tt0 -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.326 . . . . 1.0 111.355 -179.384 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.869 -0.333 . . . . 1.0 110.651 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.719 0.295 . . . . 1.0 110.556 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.665 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.05 -24.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.081 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.49 -66.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 1.0 110.237 179.409 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -47.79 -14.68 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -97.9 -38.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.84 -46.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.878 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.99 -67.02 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.96 -0.296 . . . . 1.0 110.414 179.417 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.84 -13.4 0.86 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.451 -1.46 . . . . 1.0 109.451 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -102.66 -25.79 13.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.327 -0.436 . . . . 1.0 110.378 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 79.8 t -111.5 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.695 179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -49.95 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.059 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.8 mt -61.03 -31.36 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.246 0.546 . . . . 1.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -95.96 7.34 46.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 m -142.93 -74.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.8 t80 -44.28 -46.6 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.492 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -76.68 -25.98 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.62 49.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.602 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.8 -31.09 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -58.89 -44.69 95.88 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -51.48 -17.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 1.0 110.222 -179.929 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.63 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.547 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -25.33 -59.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.91 0.756 . . . . 1.0 111.752 -179.393 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.3 m-85 -73.8 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.35 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.5 mmtm -54.31 -3.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.57 -179.042 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -123.45 -49.08 1.92 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.689 0.28 . . . . 1.0 110.529 179.415 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.5 tt -82.58 -43.98 16.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.815 0.34 . . . . 1.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.41 -7.88 58.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.81 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.888 179.952 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 6' ' ' TRP . 5.2 t . . . . . 0 C--O 1.231 0.08 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.542 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -92.84 -31.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.175 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.65 -70.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.648 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -46.7 -12.07 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.0 t -100.78 -37.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.12 -44.78 4.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 179.65 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.255 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.62 -13.81 0.88 Allowed Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.376 -1.49 . . . . 1.0 109.376 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.7 tp -102.01 -26.09 13.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.284 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.1 t -115.14 -55.94 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.723 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.01 -47.79 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.786 -0.366 . . . . 1.0 110.084 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.78 -31.19 72.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.72 5.31 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.443 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.29 -60.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.475 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.3 t80 -40.07 -50.54 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -68.11 -56.97 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.41 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.6 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -77.41 -40.95 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.781 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.44 -51.2 49.27 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -46.98 -19.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 1.0 110.323 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.2 t90 -105.35 -71.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.423 179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -24.48 -59.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.078 0.861 . . . . 1.0 112.094 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.9 m-85 -72.97 -59.18 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.322 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.7 mmtt -52.93 -4.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.752 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -122.18 -46.64 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.606 0.241 . . . . 1.0 110.943 179.823 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -87.46 -39.09 15.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 1.0 111.047 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 35.0 tt0 -82.75 -6.18 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.462 0.163 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.038 -179.838 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 1.0 110.308 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.19 -22.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.16 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.6 -56.93 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.495 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.78 -5.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.031 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.92 -37.56 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.676 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.55 -45.51 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 179.732 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -67.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.102 179.307 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.79 -13.54 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.45 -26.88 13.42 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.251 -0.474 . . . . 1.0 110.366 179.48 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 90.3 t -110.39 -52.71 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -53.52 5.41 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.562 -0.455 . . . . 1.0 109.863 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.07 -29.73 65.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.2 mt -99.38 12.5 36.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.5 m -135.21 -22.27 1.56 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.36 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ALA . 4.1 t80 -78.31 -48.04 16.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 1.0 110.567 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.1 -49.69 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.27 -43.89 3.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 24.3 m-85 -92.92 -39.21 11.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.425 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.14 -43.84 63.33 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -54.87 -18.32 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 1.0 110.222 179.878 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.0 t90 -105.11 -75.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -21.84 -58.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.048 0.843 . . . . 1.0 112.155 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.7 m-85 -74.3 -65.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -46.5 -13.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.531 -179.189 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.88 -50.19 2.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.0 111.082 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -83.8 -46.29 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.878 -179.235 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -70.77 -4.21 22.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.611 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.1 t . . . . . 0 C--O 1.231 0.084 0 N-CA-C 109.842 -0.429 . . . . 1.0 109.842 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.66 -26.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.303 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.56 -56.8 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.307 179.489 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.01 1.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -115.33 -34.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.91 -43.13 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.511 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -74.3 -67.05 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.936 -0.394 . . . . 1.0 109.936 179.283 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.741 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.03 -13.93 0.71 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.428 -1.469 . . . . 1.0 109.428 179.01 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.56 -27.12 13.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.44 -0.38 . . . . 1.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' ILE . 99.5 t -110.21 -53.28 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.79 -47.0 7.98 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.3 mt -64.29 -30.31 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.301 0.572 . . . . 1.0 109.639 179.327 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -98.55 10.19 41.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.17 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.7 m -143.66 -70.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.385 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.8 t80 -50.57 -44.29 56.69 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -80.72 -47.17 14.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.376 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.22 -55.12 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.923 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -85.55 -34.45 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.42 76.59 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.762 -0.935 . . . . 1.0 110.762 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 1.0 110.235 179.85 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.01 -74.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.434 179.586 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -21.86 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.986 0.804 . . . . 1.0 112.017 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.22 -64.98 0.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.732 -0.387 . . . . 1.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -47.49 -10.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.581 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.63 -50.53 2.62 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.788 0.327 . . . . 1.0 110.937 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.28 -40.36 18.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.859 -179.346 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' PHE . 10.9 tt0 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.604 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mptt . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.303 179.776 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.643 0.259 . . . . 1.0 110.461 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.73 -22.87 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.224 179.76 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.62 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.84 -57.89 3.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 1.0 110.571 179.556 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.01 -5.84 0.5 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.983 -179.676 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.44 -36.93 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.747 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.48 -45.73 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.626 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.59 -67.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.755 0.312 . . . . 1.0 110.363 179.484 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.65 -13.67 0.86 Allowed Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.436 -1.466 . . . . 1.0 109.436 179.176 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.9 -26.24 13.19 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.354 -0.423 . . . . 1.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' ILE . 60.5 t -116.68 -55.55 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.472 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.35 -43.43 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 1.0 110.099 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.4 -33.19 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.678 -0.49 . . . . 1.0 109.678 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.8 mt -89.11 -3.98 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.34 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.41 -64.46 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.32 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -42.23 -48.26 4.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.47 -20.43 61.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -82.8 -47.95 11.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -34.18 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.062 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -58.58 -47.08 92.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.734 -0.946 . . . . 1.0 110.734 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -18.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.035 -0.266 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -107.86 -67.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.0 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -26.34 -53.8 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.967 0.792 . . . . 1.0 111.641 -179.362 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.4 m-85 -74.34 -65.71 0.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 1.0 111.608 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.0 mptp? -46.61 -11.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.618 -0.719 . . . . 1.0 111.54 -178.636 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.93 -49.72 2.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.747 0.308 . . . . 1.0 110.896 -179.833 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.9 -45.35 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.858 -179.532 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -71.54 -20.23 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.593 179.905 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.889 0.376 . . . . 1.0 110.378 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.689 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -103.14 -24.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.845 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.65 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.88 -57.29 3.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.677 179.54 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 1.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -114.02 -35.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.55 -43.72 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.461 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.7 -67.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 1.0 110.233 179.178 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.37 -14.37 0.91 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 178.881 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.0 -27.02 13.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.265 179.521 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.8 t -114.31 -56.15 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.768 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -42.78 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.325 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.94 -32.82 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -92.06 2.36 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.253 179.477 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.09 -62.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.299 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.3 t80 -45.67 -41.05 9.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.92 60.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.838 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.06 -48.91 6.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.409 . . . . 1.0 110.099 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.04 -44.5 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.588 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.34 -48.24 65.19 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.926 -1.269 . . . . 1.0 109.926 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -70.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 1.0 110.088 179.576 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.3 t90 -53.15 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.432 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.6 mt -24.12 -69.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.936 0.772 . . . . 1.0 111.999 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' C ' ' H ' ' A' ' 28' ' ' TYR . 13.0 m-85 -66.14 -51.63 56.09 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.524 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -64.0 14.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.026 0.38 . . . . 1.0 112.026 -179.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -140.09 -46.48 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.671 0.272 . . . . 1.0 110.284 179.068 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.1 -42.8 12.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 1.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 33.0 tt0 -80.49 -5.68 57.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.617 179.871 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.726 0.298 . . . . 1.0 110.241 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.75 -23.56 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.102 179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.58 -63.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 1.0 110.352 179.565 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.05 -9.09 0.08 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.139 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -103.08 -37.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.801 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.84 -45.48 5.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 179.708 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.72 -67.74 0.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.742 0.306 . . . . 1.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.51 -14.1 0.9 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.437 -1.465 . . . . 1.0 109.437 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -101.57 -26.34 13.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.343 -0.428 . . . . 1.0 110.18 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.8 t -116.1 -56.23 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.705 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.37 -42.35 4.58 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.215 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.95 -32.5 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 mt -91.41 -0.71 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.345 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.13 -62.1 1.56 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.288 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.0 t80 -45.61 -40.94 9.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.9 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.855 -179.555 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.21 -48.67 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 1.0 110.153 179.711 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -45.76 25.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 1.0 109.593 179.471 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.98 -47.98 58.92 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.885 -1.286 . . . . 1.0 109.885 179.162 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 1.0 110.193 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.3 t90 -52.91 -67.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.342 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.9 mt -24.88 -69.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.976 0.797 . . . . 1.0 112.022 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.4 m-85 -66.33 -47.95 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.441 -0.504 . . . . 1.0 111.401 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -69.13 25.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.701 -0.399 . . . . 1.0 111.631 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.597 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.77 -46.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.18 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -45.88 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.513 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.6 tt0 -75.52 -4.09 37.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 1.0 109.803 179.549 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.071 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.747 0.308 . . . . 1.0 110.284 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.621 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.88 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.105 179.701 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.681 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -58.14 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 1.0 110.41 179.58 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.12 -7.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.045 -179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -105.02 -37.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.59 -45.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.705 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.36 -66.69 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.302 179.41 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.42 -13.05 1.08 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 109.383 -1.487 . . . . 1.0 109.383 179.079 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -102.87 -26.03 13.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.313 -0.443 . . . . 1.0 110.327 179.56 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.6 t -116.43 -55.57 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.667 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.6 -41.92 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.06 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -69.03 -32.81 72.59 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.464 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.3 mt -90.8 -1.28 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.288 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -118.86 -62.67 1.49 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -44.79 -41.08 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.828 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -17.92 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.813 -179.56 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -90.56 -48.06 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.819 0.343 . . . . 1.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -79.3 -45.5 19.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.683 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.91 -48.62 51.06 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 109.825 -1.31 . . . . 1.0 109.825 178.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.98 -68.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 1.0 110.018 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.5 t90 -54.74 -68.98 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.487 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 24' ' ' TRP . 3.6 mt -22.63 -65.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.997 0.811 . . . . 1.0 112.025 -179.548 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.8 m-85 -70.04 -51.54 31.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.367 -0.533 . . . . 1.0 111.042 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -67.54 31.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.386 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.593 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -160.03 -44.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 179.281 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.23 -35.46 14.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.4 tt0 -87.81 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 1.0 110.073 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.645 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.735 0.302 . . . . 1.0 110.303 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.6 -22.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.123 179.794 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.641 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.75 -59.2 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.453 179.542 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.97 -4.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.095 -179.693 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -107.27 -37.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.24 -45.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.634 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -66.92 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.703 0.287 . . . . 1.0 110.257 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.87 -13.4 0.87 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.16 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.5 tp -102.77 -26.54 13.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.318 -0.441 . . . . 1.0 110.325 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.1 t -115.18 -54.43 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -46.62 7.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.83 -31.26 72.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.53 1.21 56.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.635 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.31 -60.32 1.57 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.0 t80 -40.32 -46.69 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.542 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -73.89 -52.22 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.08 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.697 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -80.63 -39.59 27.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.254 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.22 -44.48 57.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.743 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -19.0 2.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.0 110.537 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.6 t90 -106.57 -66.64 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.682 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -26.63 -54.98 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.985 0.803 . . . . 1.0 111.683 -179.432 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 5.8 m-85 -73.27 -66.34 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.487 . . . . 1.0 111.443 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.3 mptp? -44.45 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.395 -178.45 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.58 -49.54 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.191 -179.486 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -84.04 -34.36 24.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.901 0.382 . . . . 1.0 111.04 -179.028 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 7.5 tt0 -86.57 23.15 1.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.287 -179.792 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.752 0.311 . . . . 1.0 110.631 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.4 -26.11 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.981 179.669 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.85 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.986 0.422 . . . . 1.0 110.194 179.509 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.31 -15.33 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.032 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -97.61 -38.25 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.947 -179.802 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.48 -45.12 5.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.29 -67.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.716 0.293 . . . . 1.0 110.239 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.44 -13.95 0.85 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.1 -26.71 13.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.26 179.511 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 84.3 t -114.09 -55.43 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.59 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.51 -30.96 72.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.91 4.19 54.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.69 179.731 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.89 -59.98 1.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.452 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.6 -49.85 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.88 -50.57 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.75 11.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.41 -35.34 30.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.24 89.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.76 -18.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.0 109.886 179.886 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -104.08 -76.91 0.58 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.244 179.458 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.4 mt -20.16 -58.84 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.137 0.898 . . . . 1.0 112.006 -179.65 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.5 m-85 -73.64 -67.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.201 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.0 mmtt -46.92 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.293 -179.147 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -114.72 -36.44 4.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.691 -0.231 . . . . 1.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tp -103.89 -35.14 8.26 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PHE . 38.9 tt0 -70.79 -23.88 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.633 0.254 . . . . 1.0 111.546 -179.079 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.612 -179.701 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.698 0.285 . . . . 1.0 110.359 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.66 -23.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.218 179.687 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.632 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.47 -59.7 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.0 110.494 179.484 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.72 -8.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.013 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.2 t -104.0 -37.64 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.68 -45.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 179.787 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.15 -66.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.306 179.347 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.93 -13.39 0.88 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 109.441 -1.464 . . . . 1.0 109.441 179.11 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.0 tp -102.5 -26.21 13.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.338 -0.431 . . . . 1.0 110.377 179.507 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.6 t -114.85 -55.1 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.707 179.704 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.1 -47.86 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.921 -0.4 . . . . 1.0 109.921 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.14 -31.52 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -93.32 1.77 56.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.96 -61.49 1.49 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.313 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 t80 -40.38 -51.35 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.82 -52.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.712 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.46 -54.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.673 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -81.34 -37.4 28.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.733 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -54.52 -46.5 73.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.89 -18.61 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 1.0 110.283 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.7 t90 -104.4 -74.07 0.66 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.348 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.28 -60.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.988 0.805 . . . . 1.0 112.212 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.9 m-85 -71.1 -61.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.419 . . . . 1.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -52.76 -3.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.63 -179.214 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.501 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.97 -33.1 2.48 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 121.037 -0.265 . . . . 1.0 111.437 -179.761 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -102.14 -29.95 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 1.0 110.863 -179.055 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -89.68 -10.01 47.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 mptt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.345 0.593 . . . . 1.0 110.054 179.58 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.9 t . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.696 0.284 . . . . 1.0 110.43 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.14 -22.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.622 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.39 -56.82 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.48 179.555 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -5.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.024 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.23 -36.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.43 -45.78 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 179.665 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.5 -67.01 0.53 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.809 0.338 . . . . 1.0 110.305 179.467 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.89 -13.6 0.92 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.499 -1.44 . . . . 1.0 109.499 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -102.67 -26.16 13.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.317 -0.441 . . . . 1.0 110.349 179.499 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.9 t -116.07 -55.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.25 -43.02 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.157 179.815 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.91 -32.82 73.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.69 -2.69 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.285 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.26 -62.77 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.5 t80 -43.55 -41.65 4.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.811 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.4 -22.2 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.861 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.27 -47.8 9.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.81 0.338 . . . . 1.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -82.4 -43.88 16.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.568 -179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.69 92.54 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 7.7 t80 -57.48 -11.1 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.975 0.416 . . . . 1.0 109.98 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -112.21 -76.24 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.224 179.392 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.47 -57.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.098 0.874 . . . . 1.0 112.05 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.58 -57.5 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.366 -0.533 . . . . 1.0 111.201 -179.879 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -59.22 1.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.402 -178.592 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.33 -44.6 2.0 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.707 0.289 . . . . 1.0 110.495 179.134 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -93.52 -41.91 9.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.064 -179.733 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -77.17 -17.37 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.265 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.531 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 110.166 -0.309 . . . . 1.0 110.166 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -127.19 -24.7 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -39.39 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.906 0.384 . . . . 1.0 111.051 179.537 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -46.39 -13.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.414 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.4 t -97.94 -32.77 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.662 179.518 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.32 -43.82 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 179.406 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.5 -67.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.349 . . . . 1.0 110.218 179.456 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.39 -13.94 0.83 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 109.398 -1.481 . . . . 1.0 109.398 179.148 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.2 tp -101.6 -27.35 13.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.356 -0.422 . . . . 1.0 110.217 179.558 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.71 -56.08 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.623 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.33 -47.74 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.25 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -94.4 4.91 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.534 179.71 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.57 -60.43 1.32 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -39.94 -49.15 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 179.898 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.89 -50.34 30.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.4 -54.22 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -80.76 -37.1 31.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.41 -45.8 82.45 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.207 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -108.21 -73.98 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.554 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.84 -56.67 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.046 0.841 . . . . 1.0 111.935 -179.556 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.1 m-85 -75.59 -64.24 1.12 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 1.0 110.867 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.8 mmtm -47.54 -10.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.648 -179.239 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.94 -50.91 2.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.716 0.293 . . . . 1.0 111.029 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -85.31 -44.64 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.922 -179.647 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.78 -15.62 62.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.532 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mptt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 179.829 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.261 -0.274 . . . . 1.0 110.261 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.534 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -125.3 -24.83 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-O 120.722 0.296 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.34 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.872 0.368 . . . . 1.0 110.919 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -44.99 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.3 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 22.6 t -96.22 -33.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.785 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.04 -44.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.468 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.17 -66.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.779 0.323 . . . . 1.0 110.19 179.448 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.61 0.84 Allowed Glycine 0 CA--C 1.517 0.217 0 N-CA-C 109.471 -1.452 . . . . 1.0 109.471 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -102.0 -27.1 13.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.382 -0.409 . . . . 1.0 110.288 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 85.4 t -115.29 -56.06 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.652 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.75 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 1.0 110.006 179.707 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.41 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 179.327 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.64 5.84 50.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.55 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -126.53 -60.36 1.25 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.441 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.76 -49.26 2.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.84 -50.9 25.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.461 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.35 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.95 -37.46 29.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -47.05 75.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.1 -16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.0 110.32 -179.904 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.9 t90 -107.46 -74.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.522 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.36 -56.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.963 0.79 . . . . 1.0 111.921 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.3 m-85 -75.97 -64.31 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.899 0.381 . . . . 1.0 110.817 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -48.11 -10.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.604 -179.114 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.58 -51.07 2.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 121.062 -0.255 . . . . 1.0 110.966 179.867 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.76 -42.78 13.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 1.0 110.952 -179.581 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.33 -14.12 60.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.267 179.803 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 1.1 t . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.493 0.187 . . . . 1.0 110.832 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.08 -24.42 2.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 120.783 0.325 . . . . 1.0 110.684 -179.704 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.41 -70.68 0.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.052 179.641 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.87 -11.02 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.502 -179.617 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -99.16 -34.32 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.538 179.47 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.08 -44.85 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 109.763 -0.458 . . . . 1.0 109.763 179.385 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.8 -66.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.834 0.35 . . . . 1.0 110.237 179.403 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.2 -13.14 0.97 Allowed Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.442 -1.463 . . . . 1.0 109.442 179.191 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -102.75 -25.95 13.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.33 -0.435 . . . . 1.0 110.35 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.4 t -111.46 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.724 179.69 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.34 -48.64 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.988 0.423 . . . . 1.0 110.091 179.881 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.6 mt -62.35 -31.18 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.245 0.545 . . . . 1.0 109.607 179.264 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -96.45 7.65 45.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.448 -0.797 . . . . 1.0 110.251 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' VAL . 18.7 m -142.55 -73.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.517 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.76 -48.44 15.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.63 -50.93 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.527 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.67 5.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.749 -179.857 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.06 -37.27 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.57 -46.48 73.83 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.52 -16.49 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.918 0.39 . . . . 1.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.463 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -107.22 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.42 -56.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.991 0.807 . . . . 1.0 111.978 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.44 -64.51 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.875 0.369 . . . . 1.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 17.9 mmtt -47.91 -10.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.688 -179.084 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.66 -51.09 2.81 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.011 -0.276 . . . . 1.0 110.981 179.859 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.56 -42.67 14.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.826 0.346 . . . . 1.0 110.947 -179.603 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' PHE . 8.0 tt0 -74.55 -14.02 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.615 -179.819 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.27 179.81 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.291 . . . . 1.0 110.27 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -111.37 -22.26 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.279 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.697 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.49 -56.44 4.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.54 179.655 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.87 -6.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.021 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -106.25 -37.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.75 -46.0 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.652 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.64 -67.7 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.697 0.284 . . . . 1.0 110.384 179.516 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.17 -14.6 0.88 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 179.241 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.3 tp -101.44 -27.11 13.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.456 -0.372 . . . . 1.0 110.182 179.635 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.8 t -117.9 -57.27 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.629 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.08 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.093 179.722 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.32 -32.91 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -91.61 2.16 56.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.147 179.483 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.4 -62.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.18 -40.53 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.794 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.68 -17.19 59.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.953 -179.529 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.26 -47.4 7.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.823 0.345 . . . . 1.0 110.31 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.81 -37.81 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.487 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.49 59.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 24.0 t80 -55.6 -19.02 8.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.109 0.48 . . . . 1.0 109.983 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 31.9 t90 -99.04 -76.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.57 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.27 -59.64 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.03 0.831 . . . . 1.0 112.307 -179.507 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.2 m-85 -70.47 -62.98 1.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.441 -179.473 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -55.13 0.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -127.43 -34.05 2.29 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.043 -0.263 . . . . 1.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -105.61 -39.25 6.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.303 -179.545 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -69.57 -21.44 63.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.196 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.01 -179.836 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.752 0.311 . . . . 1.0 110.267 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.613 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.95 -22.88 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.097 179.722 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.688 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.17 -60.93 1.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 1.0 110.432 179.516 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.15 -9.46 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.148 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -102.94 -37.65 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.799 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.82 -45.94 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 179.812 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.94 -67.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.946 -0.302 . . . . 1.0 110.39 179.468 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.97 -13.46 0.91 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -102.57 -26.74 13.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.378 -0.411 . . . . 1.0 110.226 179.596 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 60.1 t -115.89 -56.6 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -42.23 -42.42 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.756 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.99 -40.12 90.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 178.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 24.0 mt -80.57 -10.38 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.708 179.785 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -109.68 -65.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' ALA . 20.0 t80 -39.22 -41.61 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.9 mp -74.22 -53.63 9.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.33 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.62 -49.36 37.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.678 -179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -81.26 -35.32 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.753 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -60.84 -49.53 77.54 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -48.62 -18.4 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.124 0.488 . . . . 1.0 109.819 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.4 t90 -104.41 -74.68 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.359 179.693 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.92 -59.0 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.066 0.854 . . . . 1.0 112.071 -179.577 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -70.86 -62.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 23.1 mmtt -53.75 -1.54 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.838 -179.155 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.18 -34.5 2.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.173 179.862 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -104.7 -40.85 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 1.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -67.44 -20.47 65.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.813 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.737 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 6' ' ' TRP . 5.6 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 1.0 110.223 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.599 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.08 -26.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.072 179.715 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.739 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.49 -69.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 1.0 110.468 179.497 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -46.63 -12.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.4 t -99.91 -36.57 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.81 -44.55 4.51 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.631 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.83 -68.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.178 179.359 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.96 -14.46 0.78 Allowed Glycine 0 CA--C 1.518 0.267 0 N-CA-C 109.445 -1.462 . . . . 1.0 109.445 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -100.99 -26.56 13.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.287 -0.457 . . . . 1.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.8 t -117.06 -56.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.635 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.65 -42.28 5.16 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.54 -32.74 72.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 179.369 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mt -91.51 0.18 57.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.247 179.591 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.42 -62.55 1.45 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.336 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -43.49 -40.99 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -22.15 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.822 -179.629 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.49 -47.52 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 1.0 110.504 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -82.52 -43.64 16.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.28 93.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.2 t80 -57.09 -11.66 1.71 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.057 0.456 . . . . 1.0 110.086 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -111.06 -75.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.188 179.384 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.91 -58.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.172 0.92 . . . . 1.0 112.137 -179.716 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -74.98 -55.75 5.45 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.412 -0.515 . . . . 1.0 111.424 -179.75 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -61.16 4.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.351 -178.543 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -128.04 -43.68 1.49 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.729 0.3 . . . . 1.0 110.406 179.123 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -93.35 -37.72 11.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.117 -179.647 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.41 -11.46 54.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.569 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mptt . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.58 -179.972 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.714 0.293 . . . . 1.0 110.244 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.92 -21.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.17 179.72 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.705 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.37 -57.17 3.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.973 0.416 . . . . 1.0 110.46 179.627 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -7.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.035 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.94 -37.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.722 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.54 -46.27 5.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.807 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.38 -66.1 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.8 0.333 . . . . 1.0 110.327 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.754 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.53 -12.79 1.09 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.135 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -103.85 -25.71 12.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.348 -0.426 . . . . 1.0 110.531 179.728 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' LEU . 92.8 t -112.15 -53.47 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.61 -48.37 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.0 mt -62.95 -30.45 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 1.0 109.733 179.297 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.68 7.3 46.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.038 179.431 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 13.2 m -142.5 -74.61 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.7 t80 -44.79 -41.48 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -81.78 -13.56 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.97 -47.11 8.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -85.35 -38.69 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -60.43 -47.73 89.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.796 -0.921 . . . . 1.0 110.796 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 9.0 t80 -55.54 -10.56 0.68 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.0 110.074 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -110.82 -75.73 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.206 179.426 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.86 -58.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.942 0.776 . . . . 1.0 111.902 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.4 m-85 -73.05 -50.93 20.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.372 -179.51 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -70.16 23.88 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.496 -0.482 . . . . 1.0 111.115 -178.905 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.15 -46.46 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.03 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.32 -44.07 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.836 -0.345 . . . . 1.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.6 tt0 -75.52 -3.48 34.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.047 0.451 . . . . 1.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.373 179.703 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.639 0.257 . . . . 1.0 110.446 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.86 -23.4 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.038 179.673 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.65 -57.61 3.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 1.0 110.4 179.582 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.9 -9.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.122 -179.826 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.6 t -102.83 -37.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.06 -46.56 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 179.827 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.88 -66.11 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.776 0.322 . . . . 1.0 110.371 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.21 -13.11 0.97 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 179.155 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -103.39 -25.97 13.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.458 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' LEU . 96.3 t -111.63 -53.33 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.35 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 1.0 110.078 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.8 mt -62.82 -31.07 72.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 1.0 109.599 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.9 mt -96.41 7.42 46.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 1.0 110.286 179.404 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 32.6 m -142.37 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.4 t80 -45.1 -50.47 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -69.83 -55.62 9.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.638 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.58 -55.4 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.19 -46.48 17.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.183 179.886 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -43.03 -52.2 5.83 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.327 -1.109 . . . . 1.0 110.327 179.488 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -48.47 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.669 0.271 . . . . 1.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.1 t90 -79.3 -61.01 2.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.58 -179.374 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -30.23 -55.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 1.0 112.414 -178.736 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 4.8 m-85 -70.37 -65.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 1.0 112.007 -179.03 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 11.2 mptt -48.09 -6.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.781 -0.645 . . . . 1.0 112.088 -178.387 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.64 -48.19 2.29 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.223 -0.191 . . . . 1.0 110.911 179.63 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.16 -34.84 17.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.641 -179.777 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' PHE . 34.6 tt0 -84.03 -9.21 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.679 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.952 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 1.0 110.42 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.654 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.48 -24.47 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.019 179.695 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.56 -63.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 1.0 110.239 179.427 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.28 -12.26 0.14 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.083 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -100.47 -38.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.63 -46.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.941 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.41 -66.54 0.57 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.709 0.29 . . . . 1.0 110.351 179.434 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.26 -13.16 1.01 Allowed Glycine 0 CA--C 1.518 0.254 0 N-CA-C 109.486 -1.445 . . . . 1.0 109.486 179.241 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -103.12 -25.7 13.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.294 -0.453 . . . . 1.0 110.386 179.745 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' ILE . 92.7 t -111.98 -53.25 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.72 -48.68 7.98 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.023 179.826 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.4 mt -62.25 -30.48 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.215 0.531 . . . . 1.0 109.617 179.36 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.56 6.15 49.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.241 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 m -141.53 -72.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.7 t80 -45.75 -47.04 15.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -75.0 -50.97 14.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.24 -54.82 4.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.735 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -81.41 -39.01 25.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.77 -42.84 53.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.788 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -16.17 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 1.0 110.69 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.3 t90 -111.1 -64.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.732 -179.811 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -28.08 -55.02 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.803 0.689 . . . . 1.0 111.501 -179.488 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 28' ' ' TYR . 6.1 m-85 -73.99 -64.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.228 0.537 . . . . 1.0 111.093 179.737 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 3.8 mptp? -45.65 -12.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.444 -178.547 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.86 -49.95 2.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.629 0.252 . . . . 1.0 111.345 -179.768 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -84.78 -25.27 28.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 1.0 111.304 -178.769 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 10.5 tt0 -96.47 18.42 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.092 0.472 . . . . 1.0 109.993 179.889 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 1.1 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.554 0.216 . . . . 1.0 110.824 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.49 -23.88 2.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.877 0.37 . . . . 1.0 110.691 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.78 -70.52 0.1 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.995 179.631 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -8.89 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -101.38 -33.46 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.541 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -117.11 -43.96 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.04 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.38 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.61 -67.38 0.49 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 1.0 110.225 179.303 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.5 -14.12 0.9 Allowed Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.09 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.28 -26.97 13.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.339 -0.43 . . . . 1.0 110.188 179.615 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.0 t -116.2 -56.96 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.649 179.684 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -46.85 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 179.682 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.29 -31.51 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.434 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.42 5.26 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.439 179.632 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.88 -60.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.401 179.919 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.4 t80 -40.14 -47.06 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.649 179.903 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -70.76 -55.65 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.44 179.789 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.89 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.581 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -75.27 -47.41 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -48.5 -55.68 10.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -34.78 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.612 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.5 t90 -88.41 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.038 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -26.52 -55.57 0.07 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.849 0.718 . . . . 1.0 112.154 -179.321 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -71.42 -58.36 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.507 -179.326 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -66.33 31.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.79 -179.08 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.04 -44.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.041 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -93.29 -39.76 10.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.5 tt0 -79.78 -0.75 35.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.446 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.618 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.65 0.262 . . . . 1.0 110.669 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.618 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.7 -25.81 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.982 179.842 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.5 -69.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.3 179.422 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -45.46 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -97.81 -36.53 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.158 -179.75 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.34 -44.68 4.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 179.726 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.58 -67.65 0.47 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.738 0.304 . . . . 1.0 110.309 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.43 -14.68 0.99 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 109.435 -1.466 . . . . 1.0 109.435 179.154 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -100.73 -26.57 13.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.2 t -116.97 -57.02 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -41.44 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.161 179.842 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 15' ' ' LEU . 51.2 tp -69.32 -32.78 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.53 -2.58 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.286 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -117.77 -61.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.2 t80 -46.74 -39.29 11.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -77.71 -13.3 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.041 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.1 -46.89 5.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.838 0.351 . . . . 1.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -82.66 -34.2 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -69.49 -53.25 17.66 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 26.3 t80 -55.45 -11.32 0.81 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.076 0.465 . . . . 1.0 110.126 179.904 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.8 t90 -105.48 -67.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' TRP . 8.3 mt -34.85 -55.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -179.759 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.44 -20.86 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.874 -179.064 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.09 32.65 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.726 -179.829 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.8 -53.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.906 179.35 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -81.64 -45.0 16.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 1.0 110.589 -179.558 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.8 -18.92 64.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.554 -179.814 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mptt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.395 179.656 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 1.0 110.56 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.668 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.39 -22.93 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.998 179.721 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.595 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.76 -64.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.346 179.553 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -52.48 -7.25 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.88 -37.41 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 121.138 -0.225 . . . . 1.0 110.676 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.21 -44.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.518 -0.549 . . . . 1.0 109.518 179.688 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.81 0.46 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 1.0 110.143 179.238 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.22 -14.04 0.79 Allowed Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.087 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.42 -27.03 13.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.3 -0.45 . . . . 1.0 110.353 179.509 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 80.4 t -114.38 -55.74 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.735 179.735 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -48.11 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.06 179.661 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.45 -30.93 71.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.0 mt -96.04 7.8 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.574 179.603 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -127.97 -59.54 1.18 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.9 t80 -40.08 -46.23 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.633 179.863 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -74.23 -51.06 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.671 -179.864 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -80.12 -42.96 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.861 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -50.57 -50.36 36.57 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -21.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.392 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.4 t90 -102.8 -63.04 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -31.05 -51.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.637 0.585 . . . . 1.0 111.708 -179.111 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 6.4 m-85 -73.54 -62.43 1.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.825 -179.53 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -52.64 -1.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.803 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.57 -44.7 1.96 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.171 -0.211 . . . . 1.0 110.789 179.545 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.53 -33.67 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.493 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PHE . 28.6 tt0 -85.63 -13.86 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.698 0.285 . . . . 1.0 110.561 179.831 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.519 179.692 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.1 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.731 0.301 . . . . 1.0 110.425 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.06 -22.87 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.086 179.728 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.651 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -56.99 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.399 179.568 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.9 -10.8 1.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.97 -179.801 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.55 -38.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.56 -46.89 6.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.106 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.889 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.43 -66.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.309 179.423 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.14 -13.18 0.94 Allowed Glycine 0 CA--C 1.519 0.29 0 N-CA-C 109.481 -1.448 . . . . 1.0 109.481 179.195 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.56 -25.24 13.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.367 -0.417 . . . . 1.0 110.514 179.742 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' ILE . 95.4 t -112.22 -53.31 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.678 179.754 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.75 -49.07 8.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.031 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.1 mt -62.06 -30.39 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 109.661 179.284 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -96.41 7.22 47.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.154 179.427 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 m -143.05 -74.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.6 t80 -44.23 -40.65 5.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -81.97 -15.35 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.09 -46.85 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.502 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -85.31 -41.06 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.86 -46.67 92.13 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.835 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.4 t80 -56.88 -12.32 1.9 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.956 0.408 . . . . 1.0 110.05 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -109.02 -76.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.136 179.477 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -24.32 -59.38 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.029 0.83 . . . . 1.0 112.17 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -72.31 -55.89 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.131 -0.628 . . . . 1.0 111.172 -179.445 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.33 10.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.538 -178.692 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -136.9 -36.74 0.67 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.669 0.271 . . . . 1.0 110.374 179.097 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -101.78 -40.08 7.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.396 -179.377 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -72.55 -12.43 61.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.842 0.353 . . . . 1.0 110.523 -179.8 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.626 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.723 0.297 . . . . 1.0 110.357 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -23.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.049 179.669 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.631 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.93 -57.5 3.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.465 179.598 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.57 -7.58 0.68 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.069 -179.757 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -104.66 -38.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.768 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.02 -46.0 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.46 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.359 179.504 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.05 -13.16 0.88 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.114 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.82 -27.08 12.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.493 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.4 t -111.19 -52.72 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.683 179.742 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.83 -46.45 5.26 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.142 -0.318 . . . . 1.0 110.142 179.862 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.75 -32.06 73.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 179.374 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.5 mt -96.7 15.92 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.272 179.296 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 18' ' ' PHE . 1.1 m -136.17 -61.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.618 . . . . 1.0 109.69 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.5 t80 -45.04 -47.84 11.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.052 179.235 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -80.05 -44.26 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.301 179.591 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -55.72 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.63 -33.13 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 1.0 110.16 179.762 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.38 -44.08 52.4 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.469 -1.052 . . . . 1.0 110.469 179.553 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.59 -19.63 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.058 0.456 . . . . 1.0 110.308 179.809 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -102.4 -76.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.724 179.307 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.1 mt -22.02 -61.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 124.027 0.829 . . . . 1.0 112.309 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.4 m-85 -71.4 -60.76 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.269 -0.572 . . . . 1.0 111.649 -179.291 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.8 mmtp -54.26 -17.48 2.94 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.648 -0.421 . . . . 1.0 111.777 -178.85 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -100.23 -40.34 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.792 179.392 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -95.82 -43.37 7.89 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.502 -0.479 . . . . 1.0 111.052 -179.749 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' PHE . 27.5 tp60 -50.24 -36.49 31.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 1.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.773 -179.509 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.6 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.898 0.38 . . . . 1.0 110.33 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.694 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -24.94 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.903 179.786 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.63 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 1.0 110.36 179.443 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -48.26 -12.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.7 t -99.86 -37.97 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.198 -179.842 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.78 -44.74 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 179.658 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.724 0.297 . . . . 1.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.99 -13.63 0.96 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.77 -26.52 13.44 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.256 -0.472 . . . . 1.0 110.203 179.514 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.6 t -117.21 -56.66 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.97 -41.45 5.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.079 179.835 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.11 -32.6 72.11 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.91 -2.04 57.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.363 179.451 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.94 -62.24 1.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -45.47 -39.91 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.33 -17.88 59.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.017 -179.614 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.32 -47.49 7.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.953 0.406 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -77.35 -42.58 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.19 -47.22 87.25 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.896 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 39.6 t80 -56.11 -8.12 0.43 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.827 0.346 . . . . 1.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.7 t90 -116.13 -73.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.408 179.748 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.4 mt -23.59 -51.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.09 0.869 . . . . 1.0 111.932 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.0 m-85 -73.93 -74.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.948 -179.623 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -45.87 -10.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.937 0.347 . . . . 1.0 111.937 -178.537 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -111.42 -49.64 2.99 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.886 179.722 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -88.47 -42.59 12.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.006 -179.372 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PHE . 10.4 tt0 -74.31 -14.35 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.721 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.277 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 tptt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -139.82 -36.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.604 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.605 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.7 t60 -166.08 -127.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.488 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t -118.85 -116.13 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.326 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.12 -21.59 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.148 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.69 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.33 -57.01 3.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.896 0.379 . . . . 1.0 110.605 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.03 -5.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.957 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.79 -36.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.651 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.75 -45.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.57 -66.87 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.788 0.328 . . . . 1.0 110.221 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.91 -13.38 0.87 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.92 -26.36 13.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.268 -0.466 . . . . 1.0 110.358 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.1 t -115.05 -54.92 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.608 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.11 -46.85 5.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.861 0.362 . . . . 1.0 110.054 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -65.23 -31.54 72.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.58 2.51 56.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.57 -60.89 1.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.44 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.7 t80 -40.59 -48.37 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.58 -57.86 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.726 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.07 -53.11 4.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.76 -41.91 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.51 58.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.43 -17.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 1.0 110.308 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -106.47 -73.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.506 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.51 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.079 0.862 . . . . 1.0 112.126 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.15 -64.31 1.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 1.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -47.75 -10.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.93 -51.2 2.79 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 121.052 -0.259 . . . . 1.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.29 -42.62 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 1.0 110.93 -179.583 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -74.61 -13.9 60.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.611 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.4 70.14 0.84 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.25 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -143.55 -67.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.61 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -167.13 -127.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.462 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t -120.5 -116.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.608 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.58 -22.23 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.147 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.678 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.43 -57.32 3.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.486 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -4.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.027 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -107.68 -37.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.18 -45.53 5.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.538 -0.542 . . . . 1.0 109.538 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.66 -66.67 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.8 0.333 . . . . 1.0 110.227 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.09 -13.23 0.92 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.2 tp -102.79 -26.43 13.15 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.265 -0.467 . . . . 1.0 110.299 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 71.1 t -114.07 -54.99 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.682 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.26 -48.75 6.73 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.57 -30.45 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.5 mt -95.8 5.03 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.636 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.82 -59.49 1.35 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.341 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.4 t80 -39.83 -48.94 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.631 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.35 -51.97 18.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.5 -54.29 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -81.11 -38.67 26.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.703 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -47.02 66.24 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.11 -17.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 1.0 110.243 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.5 t90 -106.63 -73.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.4 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.066 0.854 . . . . 1.0 111.942 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.42 -63.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.908 0.385 . . . . 1.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -48.59 -8.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.645 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -115.35 -51.19 2.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.657 0.265 . . . . 1.0 110.862 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.26 -44.2 13.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.836 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.66 -15.89 61.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.561 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -115.45 87.53 2.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.579 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -139.71 -36.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -166.15 -126.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -119.79 -116.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.277 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.603 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.51 -21.88 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.18 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.47 -57.0 3.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -6.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.959 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.76 -37.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.759 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.31 -45.49 4.94 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.6 -66.66 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.251 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.01 -13.17 0.86 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 tp -102.97 -26.62 13.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.365 -0.418 . . . . 1.0 110.319 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.3 t -114.77 -55.18 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.627 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.64 7.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.87 -30.79 71.84 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.2 mt -95.82 6.65 48.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.505 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -127.23 -59.66 1.23 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.437 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.94 -49.31 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.72 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.24 -50.2 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.614 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -80.78 -37.22 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.32 -45.7 82.28 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.71 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 1.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.4 t90 -107.63 -74.04 0.67 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.412 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.6 -57.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.948 0.78 . . . . 1.0 111.981 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.0 m-85 -75.36 -64.23 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.89 0.376 . . . . 1.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.2 mmtm -47.51 -11.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.686 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.54 -51.2 2.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.07 -0.252 . . . . 1.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.28 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 1.0 110.942 -179.526 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -75.03 -13.61 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.07 70.16 0.83 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.312 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.156 -0.926 . . . . 1.0 110.678 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.8 tttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.28 -77.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.5 t60 -172.17 -170.81 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.443 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.649 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.4 t -77.7 -109.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.505 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.646 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.77 -25.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.982 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.7 -65.46 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -48.51 -14.76 0.07 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.065 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -98.19 -39.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.063 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -110.5 -46.42 6.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.87 -66.89 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 110.218 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.95 -13.63 0.94 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.2 -25.64 13.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.39 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 75.4 t -111.36 -53.56 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.729 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -49.48 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.013 -0.365 . . . . 1.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.3 mt -61.61 -30.98 71.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -96.17 6.52 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.385 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.5 m -141.85 -73.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.49 -48.76 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.488 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.12 -51.15 19.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.49 5.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.42 -37.46 25.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.691 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -46.73 70.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.18 -16.93 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.73 -74.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.497 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.38 -56.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.021 0.825 . . . . 1.0 112.067 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.46 -64.54 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 1.0 110.966 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.82 -10.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.662 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.11 -51.34 2.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.654 0.264 . . . . 1.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.98 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.913 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -74.05 -14.38 60.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.06 69.54 0.81 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.647 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.17 -46.54 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.527 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.659 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -161.71 -121.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -119.68 -116.57 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.434 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.8 -21.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.294 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.01 -65.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.037 0.446 . . . . 1.0 110.338 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -50.16 -9.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.135 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -102.24 -36.2 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.939 -0.305 . . . . 1.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.42 -44.51 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.783 0.325 . . . . 1.0 110.255 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.57 -14.08 0.92 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 109.399 -1.48 . . . . 1.0 109.399 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.1 tp -101.3 -26.55 13.59 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.235 -0.482 . . . . 1.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.7 -57.17 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.645 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -43.22 5.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.097 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.27 -32.5 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.95 1.46 57.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.288 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.47 -62.58 1.41 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.282 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.43 -42.18 4.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.15 -20.37 59.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.835 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.6 -47.68 8.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 1.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -81.96 -33.14 30.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.569 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.03 -51.01 42.24 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.02 -25.03 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.953 0.406 . . . . 1.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.2 t90 -98.74 -69.72 0.75 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -23.58 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.93 0.769 . . . . 1.0 111.994 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.3 m-85 -71.29 -64.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.98 0.419 . . . . 1.0 111.36 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -49.03 -7.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 1.0 112.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.53 -47.38 2.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.704 0.287 . . . . 1.0 110.699 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.08 -42.33 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.838 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PHE . 30.6 tt0 -75.64 -12.79 60.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 4.0 mptt -110.3 -40.51 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.468 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.59 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -75.04 -163.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.563 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.9 t60 -51.17 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.646 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.644 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -69.64 -113.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.679 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.605 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.69 -21.7 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.181 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.64 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -58.32 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.461 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.34 -7.63 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.872 -0.331 . . . . 1.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -103.58 -37.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.734 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.57 -45.6 5.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.56 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.852 0.358 . . . . 1.0 110.176 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.58 0.83 Allowed Glycine 0 CA--C 1.519 0.284 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 tp -102.25 -26.34 13.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.259 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -115.38 -55.81 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -47.39 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.074 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.75 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -93.84 3.98 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.619 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -124.36 -61.41 1.34 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.7 t80 -40.59 -49.59 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.605 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -71.55 -52.45 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.57 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.731 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.37 -38.34 26.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.744 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -46.83 66.59 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.44 -17.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 1.0 110.351 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -106.79 -72.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.424 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.96 -58.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.09 0.869 . . . . 1.0 111.956 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.8 m-85 -73.83 -62.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -50.59 -6.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.776 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.88 -47.31 2.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.673 0.273 . . . . 1.0 110.916 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.6 -38.8 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 1.0 110.918 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -80.95 -13.08 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -116.01 -42.81 3.03 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.556 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.91 131.98 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.481 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.1 t60 -61.62 -176.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.582 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.65 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.6 t -56.39 -110.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.46 -24.04 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.106 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.97 -66.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.999 0.428 . . . . 1.0 110.25 179.439 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -48.05 -13.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.9 t -99.14 -39.07 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.11 -45.06 5.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.86 -67.54 0.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.732 0.301 . . . . 1.0 110.312 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.78 -13.74 0.91 Allowed Glycine 0 CA--C 1.518 0.28 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.5 tp -101.78 -26.43 13.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.245 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.4 t -117.02 -56.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.746 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -41.96 4.58 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.063 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.04 -33.29 73.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.4 mt -90.45 0.16 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.189 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.22 -63.5 1.36 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.9 t80 -43.37 -42.53 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.777 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.15 -21.64 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.861 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.44 -48.5 8.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 1.0 110.463 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -80.81 -36.3 31.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -63.05 -53.14 42.5 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.71 -0.956 . . . . 1.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.1 -38.29 4.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.965 0.412 . . . . 1.0 110.412 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 25.4 t90 -85.29 -67.86 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.084 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.9 mt -24.08 -56.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.846 0.716 . . . . 1.0 112.438 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 9.2 m-85 -70.99 -65.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.806 -0.358 . . . . 1.0 111.885 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.51 -2.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -121.42 -42.36 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.273 . . . . 1.0 110.535 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -94.97 -38.11 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PHE . 27.0 tt0 -82.1 -8.54 59.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.642 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.85 71.07 0.88 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.09 -0.957 . . . . 1.0 110.731 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.563 ' HB3' ' HZ3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.1 120.89 27.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.576 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.569 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.1 t60 39.01 -128.38 0.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.797 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.709 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t -125.03 -109.55 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.709 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.87 -24.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.055 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.78 -65.33 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.926 0.393 . . . . 1.0 110.422 179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -12.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -99.94 -38.69 6.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -45.6 5.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.71 -67.41 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 1.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.34 -14.41 0.91 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.7 tp -101.38 -26.72 13.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.06 -56.08 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.638 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -42.65 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.092 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 tp -68.18 -33.46 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.0 mt -89.96 -2.69 58.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.361 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.36 -63.43 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.425 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.21 -43.53 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.92 -21.49 60.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.867 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.89 -48.4 8.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 1.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.11 -38.72 26.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -60.8 -52.49 52.06 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 1.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 24.9 t90 -89.52 -67.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.101 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -24.77 -55.6 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.899 0.75 . . . . 1.0 112.233 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 8.7 m-85 -71.65 -65.3 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.937 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.42 -1.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.368 0.507 . . . . 1.0 112.368 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -122.44 -43.28 2.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.646 0.26 . . . . 1.0 110.551 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -94.02 -38.73 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' PHE . 26.7 tt0 -81.08 -9.44 59.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.436 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -119.23 70.05 0.83 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.025 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.672 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.8 OUTLIER 59.47 123.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.574 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.9 t60 -52.78 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -55.17 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.88 -25.56 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.949 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.09 -69.17 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 1.0 110.134 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -45.69 -14.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.6 t -97.69 -38.78 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.934 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.97 -45.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.06 -66.84 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.746 0.308 . . . . 1.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.3 0.95 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.38 -25.56 13.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.301 -0.449 . . . . 1.0 110.341 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 74.3 t -111.52 -53.31 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.56 -49.7 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.028 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.5 mt -61.34 -30.42 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 1.0 109.642 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -96.3 6.53 48.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.289 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.7 m -142.48 -73.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.523 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.1 t80 -44.89 -45.19 10.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -77.79 -50.54 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.15 -54.79 4.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.67 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -82.57 -38.7 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.59 -46.57 58.82 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.17 -17.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 1.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.32 -57.3 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.99 0.806 . . . . 1.0 112.089 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.4 m-85 -75.19 -64.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.5 mmtt -47.44 -10.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.572 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.68 -51.2 2.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.676 0.274 . . . . 1.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.22 -44.22 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 1.0 111.043 -179.624 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -71.59 -16.56 62.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.719 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 32' ' ' LYS . 11.2 mptt -109.04 -45.71 3.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.543 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.15 -0.929 . . . . 1.0 110.63 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 -72.38 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.604 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.575 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.82 -127.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t -126.81 -113.19 0.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.394 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.27 -22.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.212 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.34 3.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.502 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.38 -5.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.966 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.17 -37.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.734 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.97 -45.66 5.11 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.7 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.138 -0.319 . . . . 1.0 110.138 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.23 -13.14 0.99 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.7 tp -102.76 -26.2 13.25 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.393 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.15 -54.97 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.645 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -47.19 7.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.52 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.5 mt -93.3 2.14 56.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.71 -61.57 1.44 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.2 t80 -40.43 -50.21 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.692 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.16 -52.38 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.06 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.758 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.54 -38.15 26.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.81 -46.96 66.69 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.28 -17.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 1.0 110.265 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.01 -74.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.418 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.91 -57.83 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.02 0.825 . . . . 1.0 112.015 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.6 m-85 -74.87 -64.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -46.98 -10.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.517 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.08 -50.81 2.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.663 0.268 . . . . 1.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -32.81 22.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.21 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' PHE . 15.3 tt0 -86.4 -11.91 50.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.69 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -115.16 63.68 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 1.0 110.597 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.028 -0.987 . . . . 1.0 110.44 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 tttt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 120.04 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.537 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 40.42 -124.99 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.57 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t -127.24 -109.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.328 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.702 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -118.62 -24.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.111 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.588 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.44 -62.98 0.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 1.0 110.461 179.546 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.78 -8.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.109 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -103.58 -37.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.58 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.02 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.776 0.322 . . . . 1.0 110.315 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.58 -13.76 0.85 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.26 -26.66 13.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.391 -0.405 . . . . 1.0 110.367 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 79.3 t -114.18 -55.05 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.698 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.41 6.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.372 . . . . 1.0 110.102 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.78 -31.14 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.64 3.98 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.41 -60.17 1.42 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.76 -49.84 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.33 -50.48 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.55 -54.07 10.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.96 -36.37 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.18 -46.19 86.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -53.58 -15.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 1.0 110.168 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.9 -74.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.468 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.32 -56.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.006 0.816 . . . . 1.0 111.948 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.9 m-85 -75.44 -64.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.944 0.402 . . . . 1.0 110.952 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.1 mmtm -47.8 -10.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.483 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.74 -50.25 2.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.891 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.36 -40.81 17.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.836 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' PHE . 10.6 tt0 -78.08 -12.73 60.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.626 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -118.32 67.34 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.296 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 3' ' ' HIS . 7.3 ttpm? -141.17 159.57 41.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.3 t60 -50.68 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.65 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -57.05 -112.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.54 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.636 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.72 -25.75 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.966 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.589 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.31 -70.25 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.308 179.375 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -45.51 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.383 -0.372 . . . . 1.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -98.15 -36.73 5.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.07 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.18 -44.31 4.32 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.81 -67.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 1.0 110.241 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.6 -14.43 1.0 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.8 tp -100.38 -26.94 13.71 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.251 -0.475 . . . . 1.0 110.239 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.3 t -117.02 -57.17 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.684 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -42.37 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.0 110.052 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -68.76 -33.14 73.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.34 2.06 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.337 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.2 -62.77 1.35 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -43.65 -41.67 4.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.712 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.76 -21.67 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.768 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.35 -48.21 8.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.413 . . . . 1.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -81.06 -35.31 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.472 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.6 -53.19 36.7 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -45.26 -38.86 5.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.011 0.434 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 24.8 t90 -83.62 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -23.09 -56.79 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.945 0.778 . . . . 1.0 112.163 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.7 m-85 -71.39 -60.69 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.592 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -66.12 31.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.087 0.402 . . . . 1.0 112.087 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.06 -53.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.055 -0.35 . . . . 1.0 110.055 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD23 ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -86.5 -36.99 18.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 1.0 110.598 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 31.6 tt0 -86.57 -5.11 59.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.234 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -120.3 76.77 1.2 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.31 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HD3' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.665 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 tttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.365 -0.605 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 32.2 ttpt -91.38 167.15 12.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.639 ' CD2' HG22 ' A' ' 4' ' ' THR . 2.0 t60 -59.52 -125.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t -113.83 -111.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.222 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.676 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.58 -25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.882 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.599 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.85 -66.51 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.299 179.359 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -48.77 -11.97 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.6 t -100.86 -38.3 6.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.894 -0.322 . . . . 1.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.29 -45.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.76 -67.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.847 0.356 . . . . 1.0 110.183 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.01 -13.6 0.96 Allowed Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.9 tp -101.49 -26.37 13.59 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.308 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 88.9 t -114.44 -55.38 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.23 -48.59 6.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 1.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.61 -30.84 71.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.595 -0.52 . . . . 1.0 109.595 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -95.01 4.61 53.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.627 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.49 -60.11 1.34 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.395 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.2 t80 -39.46 -49.58 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.731 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.64 -50.9 26.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.519 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.88 -54.24 8.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.643 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -81.01 -37.29 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.707 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.15 77.77 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.61 -17.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 1.0 110.171 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.19 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.475 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.88 -57.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.033 0.833 . . . . 1.0 112.072 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.4 m-85 -75.31 -64.98 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.944 0.402 . . . . 1.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.69 -10.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.517 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.15 -50.71 2.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.743 0.306 . . . . 1.0 110.829 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.69 -45.39 13.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.79 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.7 -15.5 62.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.709 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 8.4 mptt -110.04 -44.72 3.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 2.6 mtmt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.058 -0.973 . . . . 1.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -71.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.537 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.577 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.33 -128.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.5 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t -126.9 -113.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.03 -22.18 5.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.21 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.53 -56.6 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.82 -5.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.954 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.99 -38.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.733 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.96 -45.86 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -67.42 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.75 0.309 . . . . 1.0 110.319 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.16 -14.68 0.89 Allowed Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.504 -1.438 . . . . 1.0 109.504 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.9 -26.49 13.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.407 -0.397 . . . . 1.0 110.396 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 9' ' ' ILE . 53.5 t -116.19 -55.72 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.66 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -42.53 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.13 -33.19 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.04 -3.6 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.342 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.34 -62.95 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.8 t80 -43.43 -42.4 4.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.55 -21.19 59.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.88 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.66 -48.14 8.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 1.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.07 -35.22 32.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.27 -52.96 39.44 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -33.59 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 1.0 110.369 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.4 t90 -89.57 -68.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.063 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.97 -53.93 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.854 0.721 . . . . 1.0 112.294 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.7 m-85 -72.28 -67.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.594 -0.442 . . . . 1.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -53.4 1.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -127.31 -37.53 2.03 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.865 179.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -102.61 -40.01 6.83 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 1.0 111.222 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -68.32 -23.73 64.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.758 0.313 . . . . 1.0 111.088 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -86.19 5.97 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 1.0 110.77 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.418 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -72.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.475 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.587 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -163.37 -130.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.568 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 6' ' ' TRP . 1.9 t -124.7 -113.4 0.3 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.315 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.638 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.83 -22.77 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.112 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.26 -56.93 3.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.339 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -10.49 1.11 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.88 -38.35 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.46 -46.74 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.68 -66.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.301 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.09 0.9 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.452 -1.459 . . . . 1.0 109.452 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.49 -25.56 13.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.361 -0.419 . . . . 1.0 110.457 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 96.2 t -112.22 -53.3 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.76 -47.43 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.2 mt -63.43 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 1.0 109.626 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -96.79 7.67 46.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.404 -0.816 . . . . 1.0 110.161 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 m -142.2 -73.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.461 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.2 t80 -46.19 -49.0 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.75 -50.05 26.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.612 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.49 -54.55 7.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -82.11 -35.37 28.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.534 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.28 -44.62 89.34 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.88 -16.89 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 1.0 110.048 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CE2' ' CD2' ' A' ' 28' ' ' TYR . 27.7 t90 -105.96 -75.5 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.339 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.31 -58.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.062 0.851 . . . . 1.0 112.053 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -72.87 -63.18 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.927 0.394 . . . . 1.0 110.834 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.4 mmtm -51.14 -6.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.716 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.18 -41.73 2.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.596 0.236 . . . . 1.0 111.137 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -95.4 -42.93 8.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.86 0.362 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 8.2 tt0 -73.29 -20.55 60.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.661 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' LYS . 10.7 mptt -106.44 -44.88 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.553 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' LYS . 6.8 mtpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 31.0 ttpt -43.91 167.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.648 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -59.0 -123.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.665 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.648 HG22 ' CD2' ' A' ' 3' ' ' HIS . 2.4 t -114.88 -114.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.69 -24.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.089 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -57.22 3.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.72 0.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.014 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -112.93 -35.31 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.462 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.54 -44.03 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.575 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.59 -66.83 0.61 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.69 -13.52 0.84 Allowed Glycine 0 CA--C 1.519 0.323 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.4 -26.73 13.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.305 -0.448 . . . . 1.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.2 t -113.58 -54.85 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -47.96 6.22 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.206 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.22 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -94.99 3.99 54.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.617 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.28 -59.54 1.47 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -40.35 -45.42 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.644 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.08 -56.26 5.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.436 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -56.49 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.353 . . . . 1.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -75.29 -46.52 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.246 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -46.42 -56.77 6.94 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.838 0.352 . . . . 1.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.2 t90 -54.43 -66.96 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.33 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -23.46 -67.73 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.887 0.742 . . . . 1.0 112.256 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.612 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.0 m-85 -63.34 -59.98 3.98 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 5.3 mptt -60.09 21.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.308 0.484 . . . . 1.0 112.308 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -146.84 -47.48 0.18 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.967 -0.382 . . . . 1.0 109.967 179.138 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.54 -33.68 15.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 1.0 110.776 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 33.9 tt0 -86.88 -5.57 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -112.49 14.13 20.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.672 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.522 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.69 26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 1.0 110.479 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.633 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.8 t60 48.63 -122.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.645 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.743 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.4 t -117.86 -118.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.149 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.622 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -105.96 -23.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.928 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.743 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.13 3.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.53 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.15 1.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.017 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -113.27 -34.69 2.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.466 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.01 -43.96 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.63 -66.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.176 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.83 -14.54 1.11 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 tp -100.83 -27.61 13.24 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.249 -0.475 . . . . 1.0 110.215 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.3 t -117.54 -58.03 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.646 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.66 5.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.012 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.2 tp -69.1 -32.64 72.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -92.9 5.11 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.109 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -125.33 -62.56 1.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.7 t80 -44.04 -40.93 5.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.644 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.74 -21.66 57.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.792 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.5 -48.2 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.521 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.4 -35.91 34.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.35 -53.88 33.17 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -44.27 -40.04 4.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.825 0.345 . . . . 1.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.614 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.0 t90 -81.61 -71.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.8 mt -20.8 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.08 0.862 . . . . 1.0 112.171 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.0 m-85 -73.38 -61.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.645 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 12.7 mttp -66.57 32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.862 -0.335 . . . . 1.0 111.81 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -154.45 -45.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.013 0.435 . . . . 1.0 109.837 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.87 -30.91 13.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 30.9 tt0 -94.73 -6.69 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.526 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HZ3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -115.23 15.96 16.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.629 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.584 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 tttm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.34 115.42 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.613 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.4 t60 40.86 -127.52 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.523 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t -121.47 -112.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.32 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -117.88 -23.66 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.21 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.626 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.73 -61.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.591 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.56 -3.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.075 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.473 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -108.05 -35.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.529 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.12 -44.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.562 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.89 -66.87 0.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.837 0.351 . . . . 1.0 110.244 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.75 -13.64 0.88 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.413 -1.475 . . . . 1.0 109.413 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.03 -27.03 13.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.384 -0.408 . . . . 1.0 110.228 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.4 t -114.2 -55.77 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.95 -47.91 5.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.48 -31.09 72.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -95.04 4.37 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.585 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.52 -59.92 1.43 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.416 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.2 t80 -40.08 -44.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.62 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -73.88 -58.07 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.61 -56.73 2.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.724 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -74.3 -49.36 23.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -44.06 -57.7 4.7 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -67.57 0.22 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.343 . . . . 1.0 110.415 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.621 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 23.2 t90 -55.74 -66.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.52 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -21.57 -64.52 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.962 0.789 . . . . 1.0 112.311 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.6 m-85 -68.96 -57.34 5.61 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.3 mptp? -62.5 21.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 1.0 112.064 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -145.94 -50.62 0.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -84.12 -39.41 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.566 179.842 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.9 tt0 -85.1 -4.99 59.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.237 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.51 80.29 1.6 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.48 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.026 -0.987 . . . . 1.0 110.598 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.2 tttm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.552 ' CG ' ' H ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -97.88 -142.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.593 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.623 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -99.32 -90.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 6' ' ' TRP . 6.5 t -151.61 -123.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.202 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.669 ' N ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -104.19 -24.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.048 179.651 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.763 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.46 -64.1 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 1.0 110.512 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.11 -8.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.058 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.63 -37.39 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.25 5.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.25 -67.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.339 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.55 -14.39 0.98 Allowed Glycine 0 CA--C 1.52 0.35 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.77 -26.32 13.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.283 -0.458 . . . . 1.0 110.383 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.1 t -116.14 -56.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -42.33 4.72 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.2 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.84 -32.51 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.2 mt -91.63 -0.47 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.214 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.51 -62.08 1.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.324 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.41 -41.05 8.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.65 -17.07 60.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.825 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.81 -48.79 6.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.179 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.17 -44.7 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.649 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.13 -47.48 67.08 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.96 -1.256 . . . . 1.0 109.96 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -70.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 1.0 110.126 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t90 -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.403 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.8 mt -24.06 -69.72 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.887 0.742 . . . . 1.0 111.945 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 12.5 m-85 -65.46 -50.88 63.7 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.264 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.12 23.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.818 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -149.17 -47.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.167 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -36.63 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.811 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.2 tt0 -87.04 -4.47 59.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -115.88 14.59 16.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.781 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.517 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.0 tttp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -82.15 26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 1.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.2 t60 47.21 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.858 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 6' ' ' TRP . 4.0 t -59.78 -118.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.747 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.49 -21.36 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.156 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.744 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.4 -60.32 1.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.42 -8.61 0.36 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.743 -0.383 . . . . 1.0 111.096 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -102.32 -37.4 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.53 -45.45 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.776 0.322 . . . . 1.0 110.251 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.13 -14.11 0.78 Allowed Glycine 0 CA--C 1.518 0.237 0 N-CA-C 109.568 -1.413 . . . . 1.0 109.568 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.95 -26.78 13.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.324 -0.438 . . . . 1.0 110.28 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 65.6 t -114.48 -55.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -48.83 6.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.61 -31.04 72.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.3 mt -95.33 5.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.95 -59.74 1.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.348 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 t80 -39.87 -50.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -70.91 -50.6 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.56 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.12 -54.39 8.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -81.11 -36.39 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.617 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.35 85.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.67 -15.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 1.0 110.156 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.1 t90 -107.89 -74.77 0.65 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.24 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.094 0.871 . . . . 1.0 111.945 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.29 -63.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.956 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 38.0 mmtm -49.09 -8.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.519 -179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.21 -48.49 2.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.748 0.309 . . . . 1.0 110.977 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -87.44 -33.98 18.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.239 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' PHE . 16.7 tt0 -86.5 -9.83 55.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.869 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -113.83 18.51 17.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.434 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 mttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -143.18 -75.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.603 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.658 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.0 t60 -172.14 -172.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.502 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.658 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.5 t -67.33 -109.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.591 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.657 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.2 -24.4 3.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.14 -64.91 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 1.0 110.314 179.562 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -49.65 -13.71 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -98.44 -38.27 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -46.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.0 -67.19 0.49 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.802 0.334 . . . . 1.0 110.276 179.408 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.53 -13.98 0.88 Allowed Glycine 0 C--N 1.331 0.268 0 N-CA-C 109.519 -1.433 . . . . 1.0 109.519 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.8 tp -101.94 -25.9 13.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.368 -0.416 . . . . 1.0 110.422 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.6 t -110.82 -53.83 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.688 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -49.51 6.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 65.7 mt -61.6 -31.57 71.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.232 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.39 7.98 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.361 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.5 m -142.52 -73.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.4 t80 -46.07 -52.01 12.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.414 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.88 -49.71 49.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.53 -55.34 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.566 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -82.14 -35.55 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.61 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.61 82.24 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.35 -18.09 3.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.391 . . . . 1.0 110.085 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -104.3 -75.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.398 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.13 -59.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.044 0.84 . . . . 1.0 112.085 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -71.53 -63.69 1.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.973 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.6 mmtt -51.6 -6.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.79 -179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.94 -35.83 3.41 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.325 -179.834 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -103.72 -40.43 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.098 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 1.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -100.08 -45.88 5.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.062 -0.97 . . . . 1.0 110.439 -179.686 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' CB ' ' HZ3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -87.77 107.93 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.521 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.523 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 40.72 -124.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.519 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t -126.81 -111.41 0.29 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.383 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.674 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -115.77 -23.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.151 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.07 -61.12 1.39 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 1.0 110.471 179.531 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.26 -8.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.1 t -103.39 -37.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.38 -45.73 5.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.746 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.12 -66.99 0.53 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.732 0.301 . . . . 1.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.96 -13.44 0.9 Allowed Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.41 -26.32 13.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.415 -0.393 . . . . 1.0 110.38 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 67.2 t -114.84 -55.15 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.674 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -47.48 5.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 1.0 110.083 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.31 -31.99 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.8 mt -92.57 1.03 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.6 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.14 -61.87 1.5 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.341 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.8 t80 -40.29 -52.08 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -69.05 -51.4 39.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.41 -54.61 7.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.46 -36.09 29.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.66 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.74 -45.77 84.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.3 -17.92 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.388 . . . . 1.0 110.071 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.4 t90 -104.45 -75.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.97 -59.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.948 0.78 . . . . 1.0 112.153 -179.626 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -71.46 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.575 -0.45 . . . . 1.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.7 mmtt -52.29 -5.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.792 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -121.36 -35.54 3.25 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.313 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -104.07 -40.16 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.08 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -70.05 -23.97 63.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 1.0 110.576 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -99.76 -45.72 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.934 -1.032 . . . . 1.0 110.473 -179.708 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' CG ' ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' NZ ' ' CB ' ' A' ' 2' ' ' LYS . 5.2 ttpm? -56.71 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.612 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.08 -125.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.0 t -118.56 -117.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.351 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.48 -22.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.85 -58.55 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.995 0.426 . . . . 1.0 110.567 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.35 -6.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.066 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -105.51 -36.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.704 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.44 -45.63 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.758 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.43 -66.91 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.839 0.352 . . . . 1.0 110.369 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.85 -13.41 0.86 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.553 -1.419 . . . . 1.0 109.553 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.4 tp -102.79 -26.4 13.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.481 . . . . 1.0 110.403 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -114.84 -55.05 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.46 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 1.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.49 -31.49 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -93.41 2.33 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.78 -61.48 1.44 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.369 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.1 t80 -40.71 -50.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.569 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -71.08 -50.63 31.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.687 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.64 -53.9 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -82.61 -35.17 27.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.59 -47.06 87.23 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.31 -16.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.26 -74.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.424 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -23.32 -58.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.087 0.867 . . . . 1.0 111.965 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.1 m-85 -72.63 -65.94 0.72 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.959 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 31.3 mmtt -46.78 -10.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.653 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.65 -42.12 3.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.927 179.526 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.33 -41.15 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.519 -179.354 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PHE . 40.5 tt0 -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.326 . . . . 1.0 111.355 -179.384 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 2.95 56.34 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.869 -0.333 . . . . 1.0 110.651 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.453 179.918 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 tptt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -174.19 -78.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.661 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.0 t60 -171.95 -172.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.518 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -66.99 -108.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.665 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.05 -24.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.081 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.49 -66.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 1.0 110.237 179.409 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -47.79 -14.68 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -97.9 -38.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.84 -46.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.878 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.99 -67.02 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.96 -0.296 . . . . 1.0 110.414 179.417 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.84 -13.4 0.86 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.451 -1.46 . . . . 1.0 109.451 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -102.66 -25.79 13.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.327 -0.436 . . . . 1.0 110.378 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 79.8 t -111.5 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.695 179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -49.95 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.059 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.8 mt -61.03 -31.36 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.246 0.546 . . . . 1.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -95.96 7.34 46.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 m -142.93 -74.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.8 t80 -44.28 -46.6 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.492 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -76.68 -25.98 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.62 49.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.602 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.8 -31.09 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -58.89 -44.69 95.88 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -51.48 -17.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 1.0 110.222 -179.929 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.63 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.547 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -25.33 -59.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.91 0.756 . . . . 1.0 111.752 -179.393 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.3 m-85 -73.8 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.35 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.5 mmtm -54.31 -3.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.57 -179.042 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -123.45 -49.08 1.92 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.689 0.28 . . . . 1.0 110.529 179.415 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.5 tt -82.58 -43.98 16.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.815 0.34 . . . . 1.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.41 -7.88 58.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.81 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 6.4 mptt -117.79 -45.44 2.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.474 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 pttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -154.18 126.35 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.728 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.2 t60 -40.07 -68.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.594 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.728 HG22 ' CD2' ' A' ' 3' ' ' HIS . 5.2 t -166.43 -128.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.088 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.542 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -92.84 -31.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.175 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.65 -70.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.648 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -46.7 -12.07 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.0 t -100.78 -37.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.12 -44.78 4.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 179.65 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.255 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.62 -13.81 0.88 Allowed Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.376 -1.49 . . . . 1.0 109.376 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.7 tp -102.01 -26.09 13.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.284 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.1 t -115.14 -55.94 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.723 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.01 -47.79 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.786 -0.366 . . . . 1.0 110.084 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.78 -31.19 72.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.72 5.31 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.443 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.29 -60.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.475 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.3 t80 -40.07 -50.54 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -68.11 -56.97 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.41 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.6 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -77.41 -40.95 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.781 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.44 -51.2 49.27 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -46.98 -19.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 1.0 110.323 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.2 t90 -105.35 -71.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.423 179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -24.48 -59.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.078 0.861 . . . . 1.0 112.094 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.9 m-85 -72.97 -59.18 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.322 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.7 mmtt -52.93 -4.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.752 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -122.18 -46.64 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.606 0.241 . . . . 1.0 110.943 179.823 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -87.46 -39.09 15.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 1.0 111.047 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 35.0 tt0 -82.75 -6.18 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.58 16.39 15.5 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.038 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.546 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.7 tttp . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.42 132.6 26.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.532 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 41.19 -126.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.584 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -127.51 -113.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.308 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.19 -22.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.16 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.6 -56.93 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.495 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.78 -5.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.031 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.92 -37.56 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.676 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.55 -45.51 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 179.732 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -67.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.102 179.307 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.79 -13.54 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.45 -26.88 13.42 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.251 -0.474 . . . . 1.0 110.366 179.48 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 90.3 t -110.39 -52.71 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -53.52 5.41 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.562 -0.455 . . . . 1.0 109.863 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.07 -29.73 65.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.2 mt -99.38 12.5 36.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.5 m -135.21 -22.27 1.56 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.36 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ALA . 4.1 t80 -78.31 -48.04 16.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 1.0 110.567 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.1 -49.69 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.27 -43.89 3.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 24.3 m-85 -92.92 -39.21 11.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.425 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.14 -43.84 63.33 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -54.87 -18.32 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 1.0 110.222 179.878 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.0 t90 -105.11 -75.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -21.84 -58.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.048 0.843 . . . . 1.0 112.155 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.7 m-85 -74.3 -65.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -46.5 -13.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.531 -179.189 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.88 -50.19 2.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.0 111.082 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' CD1' ' HZ1' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -83.8 -46.29 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.878 -179.235 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -70.77 -4.21 22.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 11.33 16.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HZ1' ' CD1' ' A' ' 29' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.608 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 3' ' ' HIS . 10.2 tptm -160.71 121.87 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.7 ' CD2' HG22 ' A' ' 4' ' ' THR . 2.3 t60 -40.08 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.539 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.7 HG22 ' CD2' ' A' ' 3' ' ' HIS . 3.1 t -145.49 -118.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.842 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.66 -26.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.303 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.56 -56.8 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.307 179.489 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.01 1.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -115.33 -34.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.91 -43.13 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.511 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -74.3 -67.05 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.936 -0.394 . . . . 1.0 109.936 179.283 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.741 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.03 -13.93 0.71 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.428 -1.469 . . . . 1.0 109.428 179.01 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.56 -27.12 13.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.44 -0.38 . . . . 1.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' ILE . 99.5 t -110.21 -53.28 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.79 -47.0 7.98 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.3 mt -64.29 -30.31 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.301 0.572 . . . . 1.0 109.639 179.327 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -98.55 10.19 41.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.17 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.7 m -143.66 -70.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.385 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.8 t80 -50.57 -44.29 56.69 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -80.72 -47.17 14.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.376 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.22 -55.12 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.923 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -85.55 -34.45 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.42 76.59 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.762 -0.935 . . . . 1.0 110.762 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 1.0 110.235 179.85 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.01 -74.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.434 179.586 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -21.86 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.986 0.804 . . . . 1.0 112.017 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.22 -64.98 0.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.732 -0.387 . . . . 1.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -47.49 -10.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.581 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.63 -50.53 2.62 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.788 0.327 . . . . 1.0 110.937 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.28 -40.36 18.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.859 -179.346 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' PHE . 10.9 tt0 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.604 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -118.27 67.58 0.77 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.303 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.487 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.54 -0.541 . . . . 1.0 109.54 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.12 132.57 9.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.559 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.575 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 40.82 -127.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.607 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -125.51 -113.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.461 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.73 -22.87 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.224 179.76 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.62 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.84 -57.89 3.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 1.0 110.571 179.556 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.01 -5.84 0.5 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.983 -179.676 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.44 -36.93 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.747 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.48 -45.73 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.626 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.59 -67.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.755 0.312 . . . . 1.0 110.363 179.484 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.65 -13.67 0.86 Allowed Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.436 -1.466 . . . . 1.0 109.436 179.176 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.9 -26.24 13.19 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.354 -0.423 . . . . 1.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' ILE . 60.5 t -116.68 -55.55 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.472 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.35 -43.43 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 1.0 110.099 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.4 -33.19 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.678 -0.49 . . . . 1.0 109.678 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.8 mt -89.11 -3.98 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.34 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.41 -64.46 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.32 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -42.23 -48.26 4.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.47 -20.43 61.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -82.8 -47.95 11.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -34.18 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.062 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -58.58 -47.08 92.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.734 -0.946 . . . . 1.0 110.734 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -18.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.035 -0.266 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -107.86 -67.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.0 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -26.34 -53.8 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.967 0.792 . . . . 1.0 111.641 -179.362 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.4 m-85 -74.34 -65.71 0.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 1.0 111.608 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.0 mptp? -46.61 -11.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.618 -0.719 . . . . 1.0 111.54 -178.636 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.93 -49.72 2.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.747 0.308 . . . . 1.0 110.896 -179.833 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.9 -45.35 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.858 -179.532 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -71.54 -20.23 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -104.61 18.1 22.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.593 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.069 -0.967 . . . . 1.0 110.678 179.949 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.4 tttt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -66.49 -17.93 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 56.64 -126.39 1.92 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.766 179.616 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t -114.09 -113.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.378 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.689 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -103.14 -24.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.845 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.65 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.88 -57.29 3.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.677 179.54 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 1.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -114.02 -35.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.55 -43.72 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.461 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.7 -67.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 1.0 110.233 179.178 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.37 -14.37 0.91 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 178.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.0 -27.02 13.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.265 179.521 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.8 t -114.31 -56.15 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.768 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -42.78 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.325 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.94 -32.82 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -92.06 2.36 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.253 179.477 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.09 -62.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.299 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.3 t80 -45.67 -41.05 9.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.92 60.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.838 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.06 -48.91 6.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.409 . . . . 1.0 110.099 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.04 -44.5 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.588 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.34 -48.24 65.19 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.926 -1.269 . . . . 1.0 109.926 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -70.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 1.0 110.088 179.576 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.3 t90 -53.15 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.432 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.6 mt -24.12 -69.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.936 0.772 . . . . 1.0 111.999 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' C ' ' H ' ' A' ' 28' ' ' TYR . 13.0 m-85 -66.14 -51.63 56.09 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.524 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -64.0 14.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.026 0.38 . . . . 1.0 112.026 -179.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -140.09 -46.48 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.671 0.272 . . . . 1.0 110.284 179.068 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.1 -42.8 12.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 1.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 33.0 tt0 -80.49 -5.68 57.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -116.01 15.39 16.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.617 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.606 179.96 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 101.7 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.642 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 39.78 -124.15 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.715 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t -117.18 -113.7 0.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.241 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.75 -23.56 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.102 179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.58 -63.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 1.0 110.352 179.565 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.05 -9.09 0.08 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.139 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -103.08 -37.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.801 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.84 -45.48 5.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 179.708 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.72 -67.74 0.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.742 0.306 . . . . 1.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.51 -14.1 0.9 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.437 -1.465 . . . . 1.0 109.437 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -101.57 -26.34 13.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.343 -0.428 . . . . 1.0 110.18 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.8 t -116.1 -56.23 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.705 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.37 -42.35 4.58 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.215 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.95 -32.5 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 mt -91.41 -0.71 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.345 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.13 -62.1 1.56 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.288 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.0 t80 -45.61 -40.94 9.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.9 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.855 -179.555 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.21 -48.67 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 1.0 110.153 179.711 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -45.76 25.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 1.0 109.593 179.471 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.98 -47.98 58.92 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.885 -1.286 . . . . 1.0 109.885 179.162 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 1.0 110.193 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.3 t90 -52.91 -67.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.342 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.9 mt -24.88 -69.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.976 0.797 . . . . 1.0 112.022 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.4 m-85 -66.33 -47.95 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.441 -0.504 . . . . 1.0 111.401 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -69.13 25.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.701 -0.399 . . . . 1.0 111.631 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.597 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.77 -46.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.18 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -45.88 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.513 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.6 tt0 -75.52 -4.09 37.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 1.0 109.803 179.549 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.04 -52.36 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.071 179.575 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 1.3 mtmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.873 -1.06 . . . . 1.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 tttp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -56.33 -36.36 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.603 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -167.67 -127.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.541 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t -119.65 -115.96 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.284 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.621 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.88 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.105 179.701 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.681 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -58.14 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 1.0 110.41 179.58 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.12 -7.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.045 -179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -105.02 -37.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.59 -45.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.705 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.36 -66.69 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.302 179.41 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.42 -13.05 1.08 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 109.383 -1.487 . . . . 1.0 109.383 179.079 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -102.87 -26.03 13.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.313 -0.443 . . . . 1.0 110.327 179.56 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.6 t -116.43 -55.57 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.667 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.6 -41.92 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.06 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -69.03 -32.81 72.59 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.464 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.3 mt -90.8 -1.28 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.288 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -118.86 -62.67 1.49 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -44.79 -41.08 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.828 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -17.92 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.813 -179.56 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -90.56 -48.06 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.819 0.343 . . . . 1.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -79.3 -45.5 19.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.683 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.91 -48.62 51.06 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 109.825 -1.31 . . . . 1.0 109.825 178.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.98 -68.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 1.0 110.018 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.5 t90 -54.74 -68.98 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.487 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 24' ' ' TRP . 3.6 mt -22.63 -65.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.997 0.811 . . . . 1.0 112.025 -179.548 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.8 m-85 -70.04 -51.54 31.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.367 -0.533 . . . . 1.0 111.042 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -67.54 31.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.386 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -160.03 -44.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 179.281 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.23 -35.46 14.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.4 tt0 -87.81 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 1.0 110.073 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 7.25 22.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.645 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.642 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 -36.26 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -165.77 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.534 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -118.36 -113.33 0.33 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.303 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.6 -22.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.123 179.794 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.641 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.75 -59.2 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.453 179.542 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.97 -4.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.095 -179.693 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -107.27 -37.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.24 -45.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.634 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -66.92 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.703 0.287 . . . . 1.0 110.257 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.87 -13.4 0.87 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.16 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.5 tp -102.77 -26.54 13.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.318 -0.441 . . . . 1.0 110.325 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.1 t -115.18 -54.43 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -46.62 7.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.83 -31.26 72.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.53 1.21 56.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.635 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.31 -60.32 1.57 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.0 t80 -40.32 -46.69 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.542 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -73.89 -52.22 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.08 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.697 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -80.63 -39.59 27.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.254 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.22 -44.48 57.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.743 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -19.0 2.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.0 110.537 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.6 t90 -106.57 -66.64 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.682 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -26.63 -54.98 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.985 0.803 . . . . 1.0 111.683 -179.432 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 5.8 m-85 -73.27 -66.34 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.487 . . . . 1.0 111.443 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.3 mptp? -44.45 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.395 -178.45 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.58 -49.54 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.191 -179.486 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -84.04 -34.36 24.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.901 0.382 . . . . 1.0 111.04 -179.028 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 7.5 tt0 -86.57 23.15 1.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.287 -179.792 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.92 -42.56 1.39 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.663 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' LYS . 1.5 ptmt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.9 -1.048 . . . . 1.0 110.716 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' LYS . 71.9 tttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 47.41 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.526 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.8 t60 -119.77 -175.23 2.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -54.37 -107.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.631 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.4 -26.11 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.981 179.669 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.85 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.986 0.422 . . . . 1.0 110.194 179.509 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.31 -15.33 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.032 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -97.61 -38.25 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.947 -179.802 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.48 -45.12 5.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.29 -67.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.716 0.293 . . . . 1.0 110.239 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.44 -13.95 0.85 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.1 -26.71 13.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.26 179.511 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 84.3 t -114.09 -55.43 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.59 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.51 -30.96 72.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.91 4.19 54.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.69 179.731 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.89 -59.98 1.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.452 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.6 -49.85 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.88 -50.57 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.75 11.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.41 -35.34 30.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.24 89.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.76 -18.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.0 109.886 179.886 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -104.08 -76.91 0.58 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.244 179.458 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.4 mt -20.16 -58.84 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.137 0.898 . . . . 1.0 112.006 -179.65 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.5 m-85 -73.64 -67.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.201 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.0 mmtt -46.92 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.293 -179.147 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -114.72 -36.44 4.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.691 -0.231 . . . . 1.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tp -103.89 -35.14 8.26 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PHE . 38.9 tt0 -70.79 -23.88 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.633 0.254 . . . . 1.0 111.546 -179.079 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -95.4 9.82 38.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.062 -0.971 . . . . 1.0 110.617 -179.578 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 pttm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 -38.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.565 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.621 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -166.55 -129.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.469 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -117.31 -113.19 0.34 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.359 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.66 -23.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.218 179.687 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.632 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.47 -59.7 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.0 110.494 179.484 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.72 -8.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.013 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.2 t -104.0 -37.64 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.68 -45.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 179.787 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.15 -66.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.306 179.347 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.93 -13.39 0.88 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 109.441 -1.464 . . . . 1.0 109.441 179.11 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.0 tp -102.5 -26.21 13.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.338 -0.431 . . . . 1.0 110.377 179.507 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.6 t -114.85 -55.1 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.707 179.704 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.1 -47.86 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.921 -0.4 . . . . 1.0 109.921 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.14 -31.52 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -93.32 1.77 56.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.96 -61.49 1.49 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.313 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 t80 -40.38 -51.35 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.82 -52.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.712 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.46 -54.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.673 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -81.34 -37.4 28.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.733 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -54.52 -46.5 73.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.89 -18.61 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 1.0 110.283 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.7 t90 -104.4 -74.07 0.66 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.348 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.28 -60.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.988 0.805 . . . . 1.0 112.212 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.9 m-85 -71.1 -61.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.419 . . . . 1.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -52.76 -3.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.63 -179.214 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.501 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.97 -33.1 2.48 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 121.037 -0.265 . . . . 1.0 111.437 -179.761 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -102.14 -29.95 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 1.0 110.863 -179.055 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -89.68 -10.01 47.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -105.81 63.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.345 0.593 . . . . 1.0 110.054 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.083 -0.961 . . . . 1.0 110.364 -179.725 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -70.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.589 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -164.47 -128.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.9 t -125.93 -113.25 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.43 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.14 -22.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.622 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.39 -56.82 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.48 179.555 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -5.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.024 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.23 -36.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.43 -45.78 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 179.665 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.5 -67.01 0.53 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.809 0.338 . . . . 1.0 110.305 179.467 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.89 -13.6 0.92 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.499 -1.44 . . . . 1.0 109.499 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -102.67 -26.16 13.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.317 -0.441 . . . . 1.0 110.349 179.499 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.9 t -116.07 -55.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.25 -43.02 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.157 179.815 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.91 -32.82 73.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.69 -2.69 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.285 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.26 -62.77 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.5 t80 -43.55 -41.65 4.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.811 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.4 -22.2 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.861 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.27 -47.8 9.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.81 0.338 . . . . 1.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -82.4 -43.88 16.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.568 -179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.69 92.54 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 7.7 t80 -57.48 -11.1 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.975 0.416 . . . . 1.0 109.98 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -112.21 -76.24 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.224 179.392 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.47 -57.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.098 0.874 . . . . 1.0 112.05 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.58 -57.5 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.366 -0.533 . . . . 1.0 111.201 -179.879 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -59.22 1.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.402 -178.592 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.33 -44.6 2.0 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.707 0.289 . . . . 1.0 110.495 179.134 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -93.52 -41.91 9.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.064 -179.733 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -77.17 -17.37 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 67.31 0.68 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.655 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -97.4 -67.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.625 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.694 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -171.39 -157.13 0.12 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.043 -179.623 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.694 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -69.97 -112.67 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.166 179.212 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -127.19 -24.7 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -39.39 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.906 0.384 . . . . 1.0 111.051 179.537 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.666 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 2.9 mm-40 -46.39 -13.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.414 -179.681 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.4 t -97.94 -32.77 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.662 179.518 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.32 -43.82 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 179.406 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.5 -67.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.349 . . . . 1.0 110.218 179.456 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.39 -13.94 0.83 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 109.398 -1.481 . . . . 1.0 109.398 179.148 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.2 tp -101.6 -27.35 13.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.356 -0.422 . . . . 1.0 110.217 179.558 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.71 -56.08 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.623 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.33 -47.74 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.25 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -94.4 4.91 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.534 179.71 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.57 -60.43 1.32 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -39.94 -49.15 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 179.898 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.89 -50.34 30.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.4 -54.22 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -80.76 -37.1 31.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.41 -45.8 82.45 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.207 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -108.21 -73.98 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.554 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.84 -56.67 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.046 0.841 . . . . 1.0 111.935 -179.556 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.1 m-85 -75.59 -64.24 1.12 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 1.0 110.867 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.8 mmtm -47.54 -10.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.648 -179.239 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.94 -50.91 2.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.716 0.293 . . . . 1.0 111.029 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -85.31 -44.64 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.922 -179.647 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.78 -15.62 62.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.532 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -114.46 86.28 2.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.089 -0.957 . . . . 1.0 110.56 -179.959 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' HZ1' HG22 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -162.78 -34.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.627 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.704 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -170.34 -158.83 0.17 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.105 -179.687 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.704 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -70.43 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.261 179.377 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.534 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -125.3 -24.83 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-O 120.722 0.296 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.34 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.872 0.368 . . . . 1.0 110.919 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.673 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 75.5 mt-10 -44.99 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.3 -179.862 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG22 ' HZ1' ' A' ' 2' ' ' LYS . 22.6 t -96.22 -33.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.785 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.04 -44.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.468 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.17 -66.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.779 0.323 . . . . 1.0 110.19 179.448 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.61 0.84 Allowed Glycine 0 CA--C 1.517 0.217 0 N-CA-C 109.471 -1.452 . . . . 1.0 109.471 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -102.0 -27.1 13.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.382 -0.409 . . . . 1.0 110.288 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 85.4 t -115.29 -56.06 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.652 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.75 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 1.0 110.006 179.707 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.41 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 179.327 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.64 5.84 50.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.55 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -126.53 -60.36 1.25 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.441 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.76 -49.26 2.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.84 -50.9 25.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.461 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.35 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.95 -37.46 29.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -47.05 75.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.1 -16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.0 110.32 -179.904 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.9 t90 -107.46 -74.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.522 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.36 -56.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.963 0.79 . . . . 1.0 111.921 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.3 m-85 -75.97 -64.31 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.899 0.381 . . . . 1.0 110.817 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -48.11 -10.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.604 -179.114 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.58 -51.07 2.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 121.062 -0.255 . . . . 1.0 110.966 179.867 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.76 -42.78 13.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 1.0 110.952 -179.581 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.33 -14.12 60.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.16 69.71 0.82 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 3' ' ' HIS . 1.5 tmtp? -57.66 121.65 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.622 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.704 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 40.33 -167.07 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.067 179.584 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.704 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t -70.94 -115.47 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.832 -179.673 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.08 -24.42 2.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 120.783 0.325 . . . . 1.0 110.684 -179.704 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.41 -70.68 0.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.052 179.641 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.65 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 3.0 mm-40 -48.87 -11.02 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.502 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -99.16 -34.32 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.538 179.47 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.08 -44.85 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 109.763 -0.458 . . . . 1.0 109.763 179.385 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.8 -66.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.834 0.35 . . . . 1.0 110.237 179.403 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.2 -13.14 0.97 Allowed Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.442 -1.463 . . . . 1.0 109.442 179.191 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -102.75 -25.95 13.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.33 -0.435 . . . . 1.0 110.35 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.4 t -111.46 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.724 179.69 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.34 -48.64 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.988 0.423 . . . . 1.0 110.091 179.881 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.6 mt -62.35 -31.18 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.245 0.545 . . . . 1.0 109.607 179.264 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -96.45 7.65 45.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.448 -0.797 . . . . 1.0 110.251 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' VAL . 18.7 m -142.55 -73.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.517 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.76 -48.44 15.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.63 -50.93 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.527 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.67 5.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.749 -179.857 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.06 -37.27 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.57 -46.48 73.83 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.52 -16.49 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.918 0.39 . . . . 1.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.463 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -107.22 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.42 -56.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.991 0.807 . . . . 1.0 111.978 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.44 -64.51 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.875 0.369 . . . . 1.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 17.9 mmtt -47.91 -10.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.688 -179.084 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.66 -51.09 2.81 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.011 -0.276 . . . . 1.0 110.981 179.859 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.56 -42.67 14.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.826 0.346 . . . . 1.0 110.947 -179.603 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' PHE . 8.0 tt0 -74.55 -14.02 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.615 -179.819 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.31 69.68 0.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.27 179.81 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.4 pttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.439 -0.578 . . . . 1.0 109.439 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -98.37 -36.68 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.528 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.615 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 -169.91 -125.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t -120.43 -116.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.27 179.827 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -111.37 -22.26 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.279 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.697 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.49 -56.44 4.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.54 179.655 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.87 -6.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.021 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -106.25 -37.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.75 -46.0 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.652 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.64 -67.7 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.697 0.284 . . . . 1.0 110.384 179.516 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.17 -14.6 0.88 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 179.241 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.3 tp -101.44 -27.11 13.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.456 -0.372 . . . . 1.0 110.182 179.635 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.8 t -117.9 -57.27 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.629 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.08 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.093 179.722 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.32 -32.91 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -91.61 2.16 56.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.147 179.483 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.4 -62.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.18 -40.53 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.794 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.68 -17.19 59.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.953 -179.529 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.26 -47.4 7.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.823 0.345 . . . . 1.0 110.31 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.81 -37.81 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.487 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.49 59.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 24.0 t80 -55.6 -19.02 8.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.109 0.48 . . . . 1.0 109.983 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 31.9 t90 -99.04 -76.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.57 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.27 -59.64 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.03 0.831 . . . . 1.0 112.307 -179.507 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.2 m-85 -70.47 -62.98 1.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.441 -179.473 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -55.13 0.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -127.43 -34.05 2.29 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.043 -0.263 . . . . 1.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -105.61 -39.25 6.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.303 -179.545 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -69.57 -21.44 63.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.196 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.87 16.46 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.01 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.421 179.617 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -84.95 -84.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.638 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -161.86 -123.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -117.69 -116.95 0.32 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.267 179.827 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.613 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.95 -22.88 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.097 179.722 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.688 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.17 -60.93 1.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 1.0 110.432 179.516 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.15 -9.46 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.148 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -102.94 -37.65 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.799 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.82 -45.94 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 179.812 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.94 -67.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.946 -0.302 . . . . 1.0 110.39 179.468 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.97 -13.46 0.91 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -102.57 -26.74 13.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.378 -0.411 . . . . 1.0 110.226 179.596 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 60.1 t -115.89 -56.6 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -42.23 -42.42 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.756 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.99 -40.12 90.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 178.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 24.0 mt -80.57 -10.38 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.708 179.785 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -109.68 -65.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' ALA . 20.0 t80 -39.22 -41.61 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.9 mp -74.22 -53.63 9.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.33 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.62 -49.36 37.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.678 -179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -81.26 -35.32 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.753 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -60.84 -49.53 77.54 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -48.62 -18.4 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.124 0.488 . . . . 1.0 109.819 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.4 t90 -104.41 -74.68 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.359 179.693 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.92 -59.0 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.066 0.854 . . . . 1.0 112.071 -179.577 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -70.86 -62.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 23.1 mmtt -53.75 -1.54 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.838 -179.155 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.18 -34.5 2.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.173 179.862 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -104.7 -40.85 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 1.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -67.44 -20.47 65.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.813 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 1.73 54.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.737 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.582 179.952 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 5.5 ttpm? -155.36 161.32 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -41.35 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 6' ' ' TRP . 5.6 t -148.45 -126.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.746 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.599 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.08 -26.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.072 179.715 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.739 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.49 -69.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 1.0 110.468 179.497 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -46.63 -12.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.4 t -99.91 -36.57 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.81 -44.55 4.51 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.631 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.83 -68.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.178 179.359 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.96 -14.46 0.78 Allowed Glycine 0 CA--C 1.518 0.267 0 N-CA-C 109.445 -1.462 . . . . 1.0 109.445 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -100.99 -26.56 13.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.287 -0.457 . . . . 1.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.8 t -117.06 -56.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.635 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.65 -42.28 5.16 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.54 -32.74 72.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 179.369 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mt -91.51 0.18 57.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.247 179.591 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.42 -62.55 1.45 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.336 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -43.49 -40.99 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -22.15 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.822 -179.629 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.49 -47.52 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 1.0 110.504 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -82.52 -43.64 16.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.28 93.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.2 t80 -57.09 -11.66 1.71 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.057 0.456 . . . . 1.0 110.086 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -111.06 -75.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.188 179.384 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.91 -58.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.172 0.92 . . . . 1.0 112.137 -179.716 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -74.98 -55.75 5.45 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.412 -0.515 . . . . 1.0 111.424 -179.75 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -61.16 4.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.351 -178.543 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -128.04 -43.68 1.49 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.729 0.3 . . . . 1.0 110.406 179.123 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -93.35 -37.72 11.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.117 -179.647 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.41 -11.46 54.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.569 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -116.01 77.32 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HD2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.4 mttm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -148.95 92.12 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.563 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 40.66 -125.37 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.673 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -118.19 -117.55 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.92 -21.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.17 179.72 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.705 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.37 -57.17 3.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.973 0.416 . . . . 1.0 110.46 179.627 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -7.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.035 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.94 -37.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.722 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.54 -46.27 5.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.807 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.38 -66.1 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.8 0.333 . . . . 1.0 110.327 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.754 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.53 -12.79 1.09 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.135 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -103.85 -25.71 12.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.348 -0.426 . . . . 1.0 110.531 179.728 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' LEU . 92.8 t -112.15 -53.47 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.61 -48.37 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.0 mt -62.95 -30.45 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 1.0 109.733 179.297 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.68 7.3 46.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.038 179.431 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 13.2 m -142.5 -74.61 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.7 t80 -44.79 -41.48 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -81.78 -13.56 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.97 -47.11 8.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -85.35 -38.69 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -60.43 -47.73 89.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.796 -0.921 . . . . 1.0 110.796 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 9.0 t80 -55.54 -10.56 0.68 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.0 110.074 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -110.82 -75.73 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.206 179.426 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.86 -58.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.942 0.776 . . . . 1.0 111.902 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.4 m-85 -73.05 -50.93 20.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.372 -179.51 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -70.16 23.88 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.496 -0.482 . . . . 1.0 111.115 -178.905 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.15 -46.46 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.03 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.32 -44.07 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.836 -0.345 . . . . 1.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.6 tt0 -75.52 -3.48 34.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.047 0.451 . . . . 1.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.84 -51.29 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.373 179.703 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' LYS . 2.1 ttmt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.931 -1.033 . . . . 1.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.84 -70.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.588 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.81 -129.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t -125.21 -113.17 0.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.446 179.767 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.86 -23.4 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.038 179.673 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.65 -57.61 3.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 1.0 110.4 179.582 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.9 -9.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.122 -179.826 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.6 t -102.83 -37.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.06 -46.56 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 179.827 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.88 -66.11 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.776 0.322 . . . . 1.0 110.371 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.21 -13.11 0.97 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 179.155 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -103.39 -25.97 13.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.458 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' LEU . 96.3 t -111.63 -53.33 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.35 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 1.0 110.078 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.8 mt -62.82 -31.07 72.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 1.0 109.599 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.9 mt -96.41 7.42 46.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 1.0 110.286 179.404 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 32.6 m -142.37 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.4 t80 -45.1 -50.47 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -69.83 -55.62 9.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.638 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.58 -55.4 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.19 -46.48 17.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.183 179.886 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -43.03 -52.2 5.83 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.327 -1.109 . . . . 1.0 110.327 179.488 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -48.47 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.669 0.271 . . . . 1.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.1 t90 -79.3 -61.01 2.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.58 -179.374 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -30.23 -55.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 1.0 112.414 -178.736 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 4.8 m-85 -70.37 -65.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 1.0 112.007 -179.03 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 11.2 mptt -48.09 -6.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.781 -0.645 . . . . 1.0 112.088 -178.387 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.64 -48.19 2.29 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.223 -0.191 . . . . 1.0 110.911 179.63 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.16 -34.84 17.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.641 -179.777 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' PHE . 34.6 tt0 -84.03 -9.21 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.679 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -114.22 16.75 17.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.619 -179.997 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.54 -77.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.582 -179.971 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 4' ' ' THR . 4.0 t60 -171.97 -171.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.5 t -77.12 -110.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.654 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.48 -24.47 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.019 179.695 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.56 -63.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 1.0 110.239 179.427 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.28 -12.26 0.14 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.083 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -100.47 -38.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.63 -46.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.941 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.41 -66.54 0.57 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.709 0.29 . . . . 1.0 110.351 179.434 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.26 -13.16 1.01 Allowed Glycine 0 CA--C 1.518 0.254 0 N-CA-C 109.486 -1.445 . . . . 1.0 109.486 179.241 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -103.12 -25.7 13.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.294 -0.453 . . . . 1.0 110.386 179.745 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' ILE . 92.7 t -111.98 -53.25 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.72 -48.68 7.98 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.023 179.826 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.4 mt -62.25 -30.48 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.215 0.531 . . . . 1.0 109.617 179.36 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.56 6.15 49.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.241 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 m -141.53 -72.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.7 t80 -45.75 -47.04 15.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -75.0 -50.97 14.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.24 -54.82 4.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.735 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -81.41 -39.01 25.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.77 -42.84 53.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.788 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -16.17 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 1.0 110.69 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.3 t90 -111.1 -64.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.732 -179.811 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -28.08 -55.02 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.803 0.689 . . . . 1.0 111.501 -179.488 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 28' ' ' TYR . 6.1 m-85 -73.99 -64.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.228 0.537 . . . . 1.0 111.093 179.737 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 3.8 mptp? -45.65 -12.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.444 -178.547 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.86 -49.95 2.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.629 0.252 . . . . 1.0 111.345 -179.768 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -84.78 -25.27 28.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 1.0 111.304 -178.769 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 10.5 tt0 -96.47 18.42 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.092 0.472 . . . . 1.0 109.993 179.889 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 5.34 5.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.978 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.473 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -153.68 112.95 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.708 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 40.31 -166.92 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.079 179.632 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.708 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t -70.77 -115.58 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 121.063 -0.255 . . . . 1.0 110.824 -179.736 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.49 -23.88 2.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.877 0.37 . . . . 1.0 110.691 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.78 -70.52 0.1 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.995 179.631 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.655 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 3.3 mm-40 -49.68 -8.89 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.435 -179.537 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -101.38 -33.46 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.541 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -117.11 -43.96 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.04 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.38 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.61 -67.38 0.49 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 1.0 110.225 179.303 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.5 -14.12 0.9 Allowed Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.09 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.28 -26.97 13.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.339 -0.43 . . . . 1.0 110.188 179.615 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.0 t -116.2 -56.96 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.649 179.684 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -46.85 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 179.682 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.29 -31.51 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.434 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.42 5.26 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.439 179.632 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.88 -60.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.401 179.919 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.4 t80 -40.14 -47.06 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.649 179.903 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -70.76 -55.65 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.44 179.789 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.89 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.581 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -75.27 -47.41 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -48.5 -55.68 10.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -34.78 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.612 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.5 t90 -88.41 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.038 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -26.52 -55.57 0.07 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.849 0.718 . . . . 1.0 112.154 -179.321 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -71.42 -58.36 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.507 -179.326 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -66.33 31.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.79 -179.08 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.04 -44.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.041 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -93.29 -39.76 10.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.5 tt0 -79.78 -0.75 35.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.446 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 -39.5 4.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.589 -179.909 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.0 tttm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' HIS . 34.9 ttpt -156.18 160.51 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.643 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.2 t60 -50.78 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.643 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -57.18 -113.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.669 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.618 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.7 -25.81 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.982 179.842 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.5 -69.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.3 179.422 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -45.46 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -97.81 -36.53 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.158 -179.75 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.34 -44.68 4.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 179.726 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.58 -67.65 0.47 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.738 0.304 . . . . 1.0 110.309 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.43 -14.68 0.99 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 109.435 -1.466 . . . . 1.0 109.435 179.154 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -100.73 -26.57 13.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.2 t -116.97 -57.02 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -41.44 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.161 179.842 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 15' ' ' LEU . 51.2 tp -69.32 -32.78 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.53 -2.58 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.286 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -117.77 -61.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.2 t80 -46.74 -39.29 11.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -77.71 -13.3 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.041 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.1 -46.89 5.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.838 0.351 . . . . 1.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -82.66 -34.2 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -69.49 -53.25 17.66 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 26.3 t80 -55.45 -11.32 0.81 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.076 0.465 . . . . 1.0 110.126 179.904 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.8 t90 -105.48 -67.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' TRP . 8.3 mt -34.85 -55.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -179.759 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.44 -20.86 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.874 -179.064 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.09 32.65 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.726 -179.829 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.8 -53.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.906 179.35 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -81.64 -45.0 16.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 1.0 110.589 -179.558 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.8 -18.92 64.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.554 -179.814 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -103.83 -44.68 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.395 179.656 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.07 -0.967 . . . . 1.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -86.91 141.45 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.6 t60 -81.97 -174.66 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.658 -179.851 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -55.44 -109.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.668 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.39 -22.93 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.998 179.721 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.595 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.76 -64.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.346 179.553 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -52.48 -7.25 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.88 -37.41 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 121.138 -0.225 . . . . 1.0 110.676 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.21 -44.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.518 -0.549 . . . . 1.0 109.518 179.688 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.81 0.46 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 1.0 110.143 179.238 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.22 -14.04 0.79 Allowed Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.087 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.42 -27.03 13.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.3 -0.45 . . . . 1.0 110.353 179.509 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 80.4 t -114.38 -55.74 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.735 179.735 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -48.11 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.06 179.661 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.45 -30.93 71.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.0 mt -96.04 7.8 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.574 179.603 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -127.97 -59.54 1.18 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.9 t80 -40.08 -46.23 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.633 179.863 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -74.23 -51.06 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.671 -179.864 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -80.12 -42.96 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.861 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -50.57 -50.36 36.57 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -21.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.392 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.4 t90 -102.8 -63.04 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -31.05 -51.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.637 0.585 . . . . 1.0 111.708 -179.111 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 6.4 m-85 -73.54 -62.43 1.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.825 -179.53 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -52.64 -1.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.803 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.57 -44.7 1.96 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.171 -0.211 . . . . 1.0 110.789 179.545 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.53 -33.67 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.493 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PHE . 28.6 tt0 -85.63 -13.86 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.698 0.285 . . . . 1.0 110.561 179.831 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 32' ' ' LYS . 3.9 mptt -110.11 -46.39 3.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.519 179.692 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 31' ' ' LYS . 6.8 mtmm . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.597 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.1 tttp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -71.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.611 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -163.86 -130.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.1 t -124.56 -114.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.425 179.815 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.06 -22.87 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.086 179.728 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.651 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -56.99 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.399 179.568 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.9 -10.8 1.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.97 -179.801 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.55 -38.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.56 -46.89 6.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.106 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.889 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.43 -66.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.309 179.423 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.14 -13.18 0.94 Allowed Glycine 0 CA--C 1.519 0.29 0 N-CA-C 109.481 -1.448 . . . . 1.0 109.481 179.195 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.56 -25.24 13.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.367 -0.417 . . . . 1.0 110.514 179.742 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' ILE . 95.4 t -112.22 -53.31 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.678 179.754 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.75 -49.07 8.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.031 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.1 mt -62.06 -30.39 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 109.661 179.284 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -96.41 7.22 47.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.154 179.427 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 m -143.05 -74.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.6 t80 -44.23 -40.65 5.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -81.97 -15.35 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.09 -46.85 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.502 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -85.31 -41.06 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.86 -46.67 92.13 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.835 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.4 t80 -56.88 -12.32 1.9 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.956 0.408 . . . . 1.0 110.05 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -109.02 -76.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.136 179.477 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -24.32 -59.38 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.029 0.83 . . . . 1.0 112.17 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -72.31 -55.89 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.131 -0.628 . . . . 1.0 111.172 -179.445 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.33 10.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.538 -178.692 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -136.9 -36.74 0.67 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.669 0.271 . . . . 1.0 110.374 179.097 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -101.78 -40.08 7.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.396 -179.377 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -72.55 -12.43 61.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.842 0.353 . . . . 1.0 110.523 -179.8 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.56 88.04 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.514 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 3' ' ' HIS . 13.1 mtmt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.65 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.573 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -164.45 -128.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t -126.5 -113.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -23.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.049 179.669 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.631 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.93 -57.5 3.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.465 179.598 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.57 -7.58 0.68 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.069 -179.757 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -104.66 -38.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.768 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.02 -46.0 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.46 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.359 179.504 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.05 -13.16 0.88 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.114 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.82 -27.08 12.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.493 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.4 t -111.19 -52.72 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.683 179.742 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.83 -46.45 5.26 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.142 -0.318 . . . . 1.0 110.142 179.862 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.75 -32.06 73.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 179.374 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.5 mt -96.7 15.92 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.272 179.296 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 18' ' ' PHE . 1.1 m -136.17 -61.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.618 . . . . 1.0 109.69 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.5 t80 -45.04 -47.84 11.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.052 179.235 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -80.05 -44.26 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.301 179.591 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -55.72 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.63 -33.13 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 1.0 110.16 179.762 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.38 -44.08 52.4 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.469 -1.052 . . . . 1.0 110.469 179.553 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.59 -19.63 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.058 0.456 . . . . 1.0 110.308 179.809 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -102.4 -76.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.724 179.307 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.1 mt -22.02 -61.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 124.027 0.829 . . . . 1.0 112.309 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.4 m-85 -71.4 -60.76 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.269 -0.572 . . . . 1.0 111.649 -179.291 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.8 mmtp -54.26 -17.48 2.94 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.648 -0.421 . . . . 1.0 111.777 -178.85 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -100.23 -40.34 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.792 179.392 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -95.82 -43.37 7.89 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.502 -0.479 . . . . 1.0 111.052 -179.749 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' PHE . 27.5 tp60 -50.24 -36.49 31.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 1.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -93.65 -45.18 7.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.773 -179.509 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' OXT' ' O ' ' A' ' 29' ' ' LEU . 15.3 mmtp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.465 ' CG ' ' H ' ' A' ' 3' ' ' HIS . 3.6 pttm -96.7 -108.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.441 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.645 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.7 t60 -93.82 -130.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.6 t -112.33 -109.28 0.35 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.33 179.854 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.694 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -24.94 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.903 179.786 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.63 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 1.0 110.36 179.443 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -48.26 -12.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.7 t -99.86 -37.97 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.198 -179.842 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.78 -44.74 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 179.658 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.724 0.297 . . . . 1.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.99 -13.63 0.96 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.77 -26.52 13.44 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.256 -0.472 . . . . 1.0 110.203 179.514 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.6 t -117.21 -56.66 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.97 -41.45 5.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.079 179.835 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.11 -32.6 72.11 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.91 -2.04 57.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.363 179.451 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.94 -62.24 1.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -45.47 -39.91 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.33 -17.88 59.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.017 -179.614 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.32 -47.49 7.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.953 0.406 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -77.35 -42.58 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.19 -47.22 87.25 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.896 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 39.6 t80 -56.11 -8.12 0.43 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.827 0.346 . . . . 1.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.7 t90 -116.13 -73.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.408 179.748 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.4 mt -23.59 -51.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.09 0.869 . . . . 1.0 111.932 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.0 m-85 -73.93 -74.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.948 -179.623 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -45.87 -10.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.937 0.347 . . . . 1.0 111.937 -178.537 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -111.42 -49.64 2.99 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.886 179.722 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -88.47 -42.59 12.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.006 -179.372 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PHE . 10.4 tt0 -74.31 -14.35 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.721 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -118.22 68.68 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.277 179.783 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.931 -1.033 . . . . 1.0 110.483 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.761 0.315 . . . . 1.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.12 -21.59 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.148 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.69 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.33 -57.01 3.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.896 0.379 . . . . 1.0 110.605 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.03 -5.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.957 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.79 -36.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.651 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.75 -45.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.57 -66.87 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.788 0.328 . . . . 1.0 110.221 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.91 -13.38 0.87 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.495 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.92 -26.36 13.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.268 -0.466 . . . . 1.0 110.358 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.1 t -115.05 -54.92 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.608 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.11 -46.85 5.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.861 0.362 . . . . 1.0 110.054 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -65.23 -31.54 72.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.58 2.51 56.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.57 -60.89 1.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.44 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.7 t80 -40.59 -48.37 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.58 -57.86 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.726 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.07 -53.11 4.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.76 -41.91 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.51 58.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.43 -17.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 1.0 110.308 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -106.47 -73.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.506 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.51 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.079 0.862 . . . . 1.0 112.126 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.15 -64.31 1.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 1.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -47.75 -10.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.93 -51.2 2.79 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 121.052 -0.259 . . . . 1.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.29 -42.62 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 1.0 110.93 -179.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.61 -13.9 60.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.611 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.25 179.806 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.779 0.324 . . . . 1.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.608 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.58 -22.23 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.147 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.678 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.43 -57.32 3.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.486 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -4.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.027 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -107.68 -37.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.18 -45.53 5.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.538 -0.542 . . . . 1.0 109.538 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.66 -66.67 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.8 0.333 . . . . 1.0 110.227 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.09 -13.23 0.92 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.2 tp -102.79 -26.43 13.15 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.265 -0.467 . . . . 1.0 110.299 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 71.1 t -114.07 -54.99 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.682 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.26 -48.75 6.73 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.57 -30.45 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.5 mt -95.8 5.03 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.636 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.82 -59.49 1.35 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.341 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.4 t80 -39.83 -48.94 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.631 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.35 -51.97 18.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.5 -54.29 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -81.11 -38.67 26.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.703 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -47.02 66.24 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.11 -17.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 1.0 110.243 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.5 t90 -106.63 -73.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.4 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.066 0.854 . . . . 1.0 111.942 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.42 -63.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.908 0.385 . . . . 1.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -48.59 -8.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.645 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -115.35 -51.19 2.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.657 0.265 . . . . 1.0 110.862 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.26 -44.2 13.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.836 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.66 -15.89 61.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.561 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.603 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.51 -21.88 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.18 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.47 -57.0 3.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -6.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.959 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.76 -37.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.759 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.31 -45.49 4.94 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.6 -66.66 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.251 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.01 -13.17 0.86 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 tp -102.97 -26.62 13.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.365 -0.418 . . . . 1.0 110.319 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.3 t -114.77 -55.18 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.627 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.64 7.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.87 -30.79 71.84 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.2 mt -95.82 6.65 48.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.505 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -127.23 -59.66 1.23 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.437 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.94 -49.31 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.72 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.24 -50.2 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.614 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -80.78 -37.22 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.32 -45.7 82.28 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.71 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 1.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.4 t90 -107.63 -74.04 0.67 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.412 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.6 -57.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.948 0.78 . . . . 1.0 111.981 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.0 m-85 -75.36 -64.23 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.89 0.376 . . . . 1.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.2 mmtm -47.51 -11.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.686 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.54 -51.2 2.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.07 -0.252 . . . . 1.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.28 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 1.0 110.942 -179.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.03 -13.61 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.312 179.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.711 0.291 . . . . 1.0 110.505 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.646 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.77 -25.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.982 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.7 -65.46 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -48.51 -14.76 0.07 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.065 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -98.19 -39.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.063 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -110.5 -46.42 6.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.87 -66.89 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 110.218 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.95 -13.63 0.94 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.2 -25.64 13.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.39 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 75.4 t -111.36 -53.56 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.729 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -49.48 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.013 -0.365 . . . . 1.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.3 mt -61.61 -30.98 71.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -96.17 6.52 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.385 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.5 m -141.85 -73.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.49 -48.76 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.488 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.12 -51.15 19.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.49 5.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.42 -37.46 25.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.691 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -46.73 70.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.18 -16.93 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.73 -74.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.497 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.38 -56.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.021 0.825 . . . . 1.0 112.067 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.46 -64.54 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 1.0 110.966 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.82 -10.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.662 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.11 -51.34 2.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.654 0.264 . . . . 1.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.98 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.913 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.05 -14.38 60.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.282 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 1.0 110.434 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.8 -21.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.294 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.01 -65.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.037 0.446 . . . . 1.0 110.338 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -50.16 -9.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.135 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -102.24 -36.2 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.939 -0.305 . . . . 1.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.42 -44.51 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.783 0.325 . . . . 1.0 110.255 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.57 -14.08 0.92 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 109.399 -1.48 . . . . 1.0 109.399 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.1 tp -101.3 -26.55 13.59 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.235 -0.482 . . . . 1.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.7 -57.17 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.645 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -43.22 5.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.097 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.27 -32.5 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.95 1.46 57.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.288 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.47 -62.58 1.41 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.282 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.43 -42.18 4.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.15 -20.37 59.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.835 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.6 -47.68 8.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 1.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -81.96 -33.14 30.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.569 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.03 -51.01 42.24 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.02 -25.03 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.953 0.406 . . . . 1.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.2 t90 -98.74 -69.72 0.75 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -23.58 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.93 0.769 . . . . 1.0 111.994 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.3 m-85 -71.29 -64.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.98 0.419 . . . . 1.0 111.36 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -49.03 -7.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 1.0 112.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.53 -47.38 2.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.704 0.287 . . . . 1.0 110.699 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.08 -42.33 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.838 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.7 tt0 -75.64 -12.79 60.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.468 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 6' ' ' TRP . 1.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 1.0 110.679 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.605 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.69 -21.7 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.181 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.64 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -58.32 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.461 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.34 -7.63 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.872 -0.331 . . . . 1.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -103.58 -37.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.734 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.57 -45.6 5.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.56 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.852 0.358 . . . . 1.0 110.176 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.58 0.83 Allowed Glycine 0 CA--C 1.519 0.284 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 tp -102.25 -26.34 13.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.259 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -115.38 -55.81 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -47.39 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.074 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.75 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -93.84 3.98 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.619 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -124.36 -61.41 1.34 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.7 t80 -40.59 -49.59 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.605 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -71.55 -52.45 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.57 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.731 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.37 -38.34 26.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.744 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -46.83 66.59 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.44 -17.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 1.0 110.351 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -106.79 -72.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.424 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.96 -58.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.09 0.869 . . . . 1.0 111.956 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.8 m-85 -73.83 -62.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -50.59 -6.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.776 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.88 -47.31 2.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.673 0.273 . . . . 1.0 110.916 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.6 -38.8 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 1.0 110.918 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -80.95 -13.08 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 N--CA 1.462 0.126 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.845 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.607 0.242 . . . . 1.0 110.569 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.649 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.46 -24.04 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.106 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.97 -66.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.999 0.428 . . . . 1.0 110.25 179.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -48.05 -13.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.9 t -99.14 -39.07 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.11 -45.06 5.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.86 -67.54 0.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.732 0.301 . . . . 1.0 110.312 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.78 -13.74 0.91 Allowed Glycine 0 CA--C 1.518 0.28 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.5 tp -101.78 -26.43 13.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.245 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.4 t -117.02 -56.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.746 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -41.96 4.58 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.063 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.04 -33.29 73.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.4 mt -90.45 0.16 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.189 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.22 -63.5 1.36 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.9 t80 -43.37 -42.53 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.777 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.15 -21.64 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.861 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.44 -48.5 8.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 1.0 110.463 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -80.81 -36.3 31.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -63.05 -53.14 42.5 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.71 -0.956 . . . . 1.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.1 -38.29 4.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.965 0.412 . . . . 1.0 110.412 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 25.4 t90 -85.29 -67.86 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.084 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.9 mt -24.08 -56.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.846 0.716 . . . . 1.0 112.438 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 9.2 m-85 -70.99 -65.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.806 -0.358 . . . . 1.0 111.885 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.51 -2.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -121.42 -42.36 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.273 . . . . 1.0 110.535 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -94.97 -38.11 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -82.1 -8.54 59.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.642 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.105 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.216 179.721 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.709 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.616 0.246 . . . . 1.0 110.382 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.709 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.87 -24.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.055 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.58 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.78 -65.33 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.926 0.393 . . . . 1.0 110.422 179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -12.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -99.94 -38.69 6.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -45.6 5.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.71 -67.41 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 1.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.34 -14.41 0.91 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.489 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.7 tp -101.38 -26.72 13.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.06 -56.08 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.638 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -42.65 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.092 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 tp -68.18 -33.46 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.0 mt -89.96 -2.69 58.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.361 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.36 -63.43 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.425 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.21 -43.53 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.92 -21.49 60.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.867 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.89 -48.4 8.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 1.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.11 -38.72 26.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -60.8 -52.49 52.06 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 1.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 24.9 t90 -89.52 -67.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.101 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -24.77 -55.6 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.899 0.75 . . . . 1.0 112.233 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 8.7 m-85 -71.65 -65.3 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.937 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.42 -1.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.368 0.507 . . . . 1.0 112.368 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -122.44 -43.28 2.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.646 0.26 . . . . 1.0 110.551 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -94.02 -38.73 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -81.08 -9.44 59.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.436 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.025 179.81 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.67 0.272 . . . . 1.0 110.561 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.88 -25.56 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.949 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.09 -69.17 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 1.0 110.134 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -45.69 -14.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.6 t -97.69 -38.78 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.934 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.97 -45.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.06 -66.84 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.746 0.308 . . . . 1.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.3 0.95 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.38 -25.56 13.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.301 -0.449 . . . . 1.0 110.341 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 74.3 t -111.52 -53.31 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.56 -49.7 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.028 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.5 mt -61.34 -30.42 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 1.0 109.642 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -96.3 6.53 48.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.289 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.7 m -142.48 -73.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.523 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.1 t80 -44.89 -45.19 10.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -77.79 -50.54 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.15 -54.79 4.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.67 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -82.57 -38.7 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.59 -46.57 58.82 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.17 -17.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 1.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.32 -57.3 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.99 0.806 . . . . 1.0 112.089 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.4 m-85 -75.19 -64.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.5 mmtt -47.44 -10.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.572 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.68 -51.2 2.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.676 0.274 . . . . 1.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.22 -44.22 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 1.0 111.043 -179.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.59 -16.56 62.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.719 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mptt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.543 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.67 0.272 . . . . 1.0 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.27 -22.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.212 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.34 3.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.502 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.38 -5.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.966 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.17 -37.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.734 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.97 -45.66 5.11 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.7 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.138 -0.319 . . . . 1.0 110.138 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.23 -13.14 0.99 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.7 tp -102.76 -26.2 13.25 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.393 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.15 -54.97 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.645 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -47.19 7.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.52 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.5 mt -93.3 2.14 56.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.71 -61.57 1.44 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.2 t80 -40.43 -50.21 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.692 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.16 -52.38 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.06 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.758 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.54 -38.15 26.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.81 -46.96 66.69 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.28 -17.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 1.0 110.265 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.488 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.01 -74.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.418 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.91 -57.83 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.02 0.825 . . . . 1.0 112.015 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.6 m-85 -74.87 -64.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -46.98 -10.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.517 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.08 -50.81 2.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.663 0.268 . . . . 1.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -32.81 22.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.21 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' PHE . 3.7 tt0 -86.4 -11.91 50.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.69 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 1.0 110.597 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.746 0.308 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.702 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -118.62 -24.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.111 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.588 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.44 -62.98 0.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 1.0 110.461 179.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.78 -8.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.109 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -103.58 -37.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.58 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.02 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.776 0.322 . . . . 1.0 110.315 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.58 -13.76 0.85 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.26 -26.66 13.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.391 -0.405 . . . . 1.0 110.367 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 79.3 t -114.18 -55.05 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.698 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.41 6.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.372 . . . . 1.0 110.102 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.78 -31.14 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.64 3.98 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.41 -60.17 1.42 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.76 -49.84 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.33 -50.48 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.55 -54.07 10.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.96 -36.37 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.18 -46.19 86.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -53.58 -15.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 1.0 110.168 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.9 -74.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.468 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.32 -56.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.006 0.816 . . . . 1.0 111.948 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.9 m-85 -75.44 -64.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.944 0.402 . . . . 1.0 110.952 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.1 mmtm -47.8 -10.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.483 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.74 -50.25 2.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.891 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.36 -40.81 17.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.836 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.08 -12.73 60.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.626 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.296 179.796 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.636 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.767 0.318 . . . . 1.0 110.54 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.72 -25.75 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.966 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.589 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.31 -70.25 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.308 179.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -45.51 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.383 -0.372 . . . . 1.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -98.15 -36.73 5.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.07 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.18 -44.31 4.32 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.81 -67.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 1.0 110.241 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.6 -14.43 1.0 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.8 tp -100.38 -26.94 13.71 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.251 -0.475 . . . . 1.0 110.239 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.3 t -117.02 -57.17 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.684 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -42.37 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.0 110.052 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -68.76 -33.14 73.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.34 2.06 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.337 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.2 -62.77 1.35 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -43.65 -41.67 4.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.712 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.76 -21.67 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.768 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.35 -48.21 8.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.413 . . . . 1.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -81.06 -35.31 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.472 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.6 -53.19 36.7 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -45.26 -38.86 5.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.011 0.434 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 24.8 t90 -83.62 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -23.09 -56.79 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.945 0.778 . . . . 1.0 112.163 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.7 m-85 -71.39 -60.69 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.592 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -66.12 31.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.087 0.402 . . . . 1.0 112.087 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.06 -53.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.055 -0.35 . . . . 1.0 110.055 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -86.5 -36.99 18.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 1.0 110.598 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.8 tt0 -86.57 -5.11 59.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.234 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--O 1.232 0.155 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.31 179.797 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.884 0.373 . . . . 1.0 110.222 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.676 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.58 -25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.882 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.599 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.85 -66.51 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.299 179.359 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -48.77 -11.97 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.6 t -100.86 -38.3 6.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.894 -0.322 . . . . 1.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.29 -45.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.76 -67.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.847 0.356 . . . . 1.0 110.183 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.01 -13.6 0.96 Allowed Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.9 tp -101.49 -26.37 13.59 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.308 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 88.9 t -114.44 -55.38 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.23 -48.59 6.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 1.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.61 -30.84 71.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.595 -0.52 . . . . 1.0 109.595 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -95.01 4.61 53.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.627 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.49 -60.11 1.34 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.395 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.2 t80 -39.46 -49.58 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.731 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.64 -50.9 26.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.519 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.88 -54.24 8.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.643 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -81.01 -37.29 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.707 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.15 77.77 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.61 -17.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 1.0 110.171 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.19 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.475 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.88 -57.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.033 0.833 . . . . 1.0 112.072 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.4 m-85 -75.31 -64.98 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.944 0.402 . . . . 1.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.69 -10.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.517 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.15 -50.71 2.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.743 0.306 . . . . 1.0 110.829 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.69 -45.39 13.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.79 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -71.7 -15.5 62.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.709 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.565 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.723 0.297 . . . . 1.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.03 -22.18 5.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.21 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.53 -56.6 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.82 -5.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.954 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.99 -38.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.733 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.96 -45.86 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -67.42 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.75 0.309 . . . . 1.0 110.319 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.16 -14.68 0.89 Allowed Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.504 -1.438 . . . . 1.0 109.504 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.9 -26.49 13.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.407 -0.397 . . . . 1.0 110.396 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 9' ' ' ILE . 53.5 t -116.19 -55.72 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.66 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -42.53 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.13 -33.19 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.04 -3.6 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.342 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.34 -62.95 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.8 t80 -43.43 -42.4 4.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.55 -21.19 59.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.88 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.66 -48.14 8.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 1.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.07 -35.22 32.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.27 -52.96 39.44 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -33.59 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 1.0 110.369 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.4 t90 -89.57 -68.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.063 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.97 -53.93 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.854 0.721 . . . . 1.0 112.294 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.7 m-85 -72.28 -67.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.594 -0.442 . . . . 1.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -53.4 1.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -127.31 -37.53 2.03 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.865 179.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -102.61 -40.01 6.83 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 1.0 111.222 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -68.32 -23.73 64.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.758 0.313 . . . . 1.0 111.088 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 1.0 110.77 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 6' ' ' TRP . 1.9 t . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.663 0.268 . . . . 1.0 110.315 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.638 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.83 -22.77 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.112 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.26 -56.93 3.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.339 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -10.49 1.11 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.88 -38.35 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.46 -46.74 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.68 -66.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.301 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.09 0.9 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.452 -1.459 . . . . 1.0 109.452 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.49 -25.56 13.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.361 -0.419 . . . . 1.0 110.457 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 96.2 t -112.22 -53.3 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.76 -47.43 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.2 mt -63.43 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 1.0 109.626 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -96.79 7.67 46.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.404 -0.816 . . . . 1.0 110.161 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 m -142.2 -73.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.461 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.2 t80 -46.19 -49.0 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.75 -50.05 26.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.612 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.49 -54.55 7.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -82.11 -35.37 28.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.534 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.28 -44.62 89.34 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.88 -16.89 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 1.0 110.048 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CE2' ' CD2' ' A' ' 28' ' ' TYR . 27.7 t90 -105.96 -75.5 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.339 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.31 -58.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.062 0.851 . . . . 1.0 112.053 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -72.87 -63.18 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.927 0.394 . . . . 1.0 110.834 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.4 mmtm -51.14 -6.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.716 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.18 -41.73 2.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.596 0.236 . . . . 1.0 111.137 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -95.4 -42.93 8.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.86 0.362 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -73.29 -20.55 60.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.661 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.622 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.735 0.302 . . . . 1.0 110.325 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.69 -24.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.089 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -57.22 3.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.72 0.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.014 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -112.93 -35.31 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.462 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.54 -44.03 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.59 -66.83 0.61 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.69 -13.52 0.84 Allowed Glycine 0 CA--C 1.519 0.323 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.4 -26.73 13.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.305 -0.448 . . . . 1.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.2 t -113.58 -54.85 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -47.96 6.22 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.206 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.22 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -94.99 3.99 54.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.617 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.28 -59.54 1.47 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -40.35 -45.42 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.644 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.08 -56.26 5.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.436 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -56.49 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.353 . . . . 1.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -75.29 -46.52 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.246 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -46.42 -56.77 6.94 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.838 0.352 . . . . 1.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.2 t90 -54.43 -66.96 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.33 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -23.46 -67.73 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.887 0.742 . . . . 1.0 112.256 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.612 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.0 m-85 -63.34 -59.98 3.98 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 5.3 mptt -60.09 21.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.308 0.484 . . . . 1.0 112.308 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -146.84 -47.48 0.18 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.967 -0.382 . . . . 1.0 109.967 179.138 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.54 -33.68 15.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 1.0 110.776 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.0 tt0 -86.88 -5.57 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.672 179.859 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.743 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.4 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.867 0.365 . . . . 1.0 110.149 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.622 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -105.96 -23.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.928 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.743 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.13 3.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.53 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.15 1.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.017 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -113.27 -34.69 2.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.466 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.01 -43.96 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.63 -66.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.176 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.83 -14.54 1.11 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 tp -100.83 -27.61 13.24 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.249 -0.475 . . . . 1.0 110.215 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.3 t -117.54 -58.03 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.646 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.66 5.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.012 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.2 tp -69.1 -32.64 72.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -92.9 5.11 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.109 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -125.33 -62.56 1.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.7 t80 -44.04 -40.93 5.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.644 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.74 -21.66 57.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.792 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.5 -48.2 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.521 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.4 -35.91 34.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.35 -53.88 33.17 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -44.27 -40.04 4.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.825 0.345 . . . . 1.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.614 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.0 t90 -81.61 -71.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.8 mt -20.8 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.08 0.862 . . . . 1.0 112.171 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.0 m-85 -73.38 -61.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.645 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 12.7 mttp -66.57 32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.862 -0.335 . . . . 1.0 111.81 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -154.45 -45.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.013 0.435 . . . . 1.0 109.837 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.87 -30.91 13.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.7 tt0 -94.73 -6.69 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.526 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HZ3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.773 0.32 . . . . 1.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -117.88 -23.66 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.21 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.626 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.73 -61.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.591 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.56 -3.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.075 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.473 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -108.05 -35.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.529 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.12 -44.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.562 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.89 -66.87 0.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.837 0.351 . . . . 1.0 110.244 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.75 -13.64 0.88 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.413 -1.475 . . . . 1.0 109.413 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.03 -27.03 13.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.384 -0.408 . . . . 1.0 110.228 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.4 t -114.2 -55.77 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.95 -47.91 5.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.48 -31.09 72.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -95.04 4.37 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.585 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.52 -59.92 1.43 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.416 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.2 t80 -40.08 -44.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.62 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -73.88 -58.07 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.61 -56.73 2.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.724 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -74.3 -49.36 23.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -44.06 -57.7 4.7 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -67.57 0.22 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.343 . . . . 1.0 110.415 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.621 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 23.2 t90 -55.74 -66.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.52 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -21.57 -64.52 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.962 0.789 . . . . 1.0 112.311 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.6 m-85 -68.96 -57.34 5.61 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.3 mptp? -62.5 21.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 1.0 112.064 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -145.94 -50.62 0.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -84.12 -39.41 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.566 179.842 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -85.1 -4.99 59.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.237 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 C--O 1.232 0.164 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.48 179.752 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 6' ' ' TRP . 6.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.808 0.337 . . . . 1.0 110.202 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.669 ' N ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -104.19 -24.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.048 179.651 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.763 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.46 -64.1 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 1.0 110.512 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.11 -8.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.058 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.63 -37.39 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.25 5.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.25 -67.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.339 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.55 -14.39 0.98 Allowed Glycine 0 CA--C 1.52 0.35 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.77 -26.32 13.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.283 -0.458 . . . . 1.0 110.383 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.1 t -116.14 -56.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -42.33 4.72 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.2 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.84 -32.51 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.2 mt -91.63 -0.47 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.214 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.51 -62.08 1.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.324 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.41 -41.05 8.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.65 -17.07 60.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.825 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.81 -48.79 6.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.179 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.17 -44.7 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.649 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.13 -47.48 67.08 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.96 -1.256 . . . . 1.0 109.96 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -70.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 1.0 110.126 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t90 -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.403 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.8 mt -24.06 -69.72 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.887 0.742 . . . . 1.0 111.945 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 12.5 m-85 -65.46 -50.88 63.7 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.264 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.12 23.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.818 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -149.17 -47.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -36.63 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.811 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -87.04 -4.47 59.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.781 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 6' ' ' TRP . 4.0 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.789 0.328 . . . . 1.0 110.747 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.49 -21.36 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.156 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.744 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.4 -60.32 1.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.42 -8.61 0.36 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.743 -0.383 . . . . 1.0 111.096 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -102.32 -37.4 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.53 -45.45 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.776 0.322 . . . . 1.0 110.251 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.13 -14.11 0.78 Allowed Glycine 0 CA--C 1.518 0.237 0 N-CA-C 109.568 -1.413 . . . . 1.0 109.568 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.95 -26.78 13.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.324 -0.438 . . . . 1.0 110.28 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 65.6 t -114.48 -55.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -48.83 6.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.61 -31.04 72.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.3 mt -95.33 5.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.95 -59.74 1.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.348 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 t80 -39.87 -50.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -70.91 -50.6 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.56 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.12 -54.39 8.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -81.11 -36.39 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.617 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.35 85.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.67 -15.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 1.0 110.156 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.1 t90 -107.89 -74.77 0.65 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.24 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.094 0.871 . . . . 1.0 111.945 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.29 -63.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.956 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 38.0 mmtm -49.09 -8.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.519 -179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.21 -48.49 2.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.748 0.309 . . . . 1.0 110.977 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -87.44 -33.98 18.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.239 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.0 tt0 -86.5 -9.83 55.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.869 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.233 0.196 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.819 -179.779 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.5 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.722 0.296 . . . . 1.0 110.591 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.657 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.2 -24.4 3.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.14 -64.91 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 1.0 110.314 179.562 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -49.65 -13.71 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -98.44 -38.27 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -46.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.0 -67.19 0.49 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.802 0.334 . . . . 1.0 110.276 179.408 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.53 -13.98 0.88 Allowed Glycine 0 C--N 1.331 0.268 0 N-CA-C 109.519 -1.433 . . . . 1.0 109.519 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.8 tp -101.94 -25.9 13.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.368 -0.416 . . . . 1.0 110.422 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.6 t -110.82 -53.83 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.688 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -49.51 6.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 65.7 mt -61.6 -31.57 71.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.232 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.39 7.98 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.361 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.5 m -142.52 -73.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.4 t80 -46.07 -52.01 12.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.414 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.88 -49.71 49.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.53 -55.34 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.566 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -82.14 -35.55 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.61 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.61 82.24 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.35 -18.09 3.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.391 . . . . 1.0 110.085 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -104.3 -75.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.398 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.13 -59.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.044 0.84 . . . . 1.0 112.085 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -71.53 -63.69 1.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.973 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.6 mmtt -51.6 -6.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.79 -179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.94 -35.83 3.41 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.325 -179.834 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -103.72 -40.43 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.098 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 1.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.648 0.261 . . . . 1.0 110.383 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.674 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -115.77 -23.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.151 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.07 -61.12 1.39 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 1.0 110.471 179.531 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.26 -8.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.1 t -103.39 -37.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.38 -45.73 5.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.746 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.12 -66.99 0.53 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.732 0.301 . . . . 1.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.96 -13.44 0.9 Allowed Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.41 -26.32 13.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.415 -0.393 . . . . 1.0 110.38 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 67.2 t -114.84 -55.15 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.674 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -47.48 5.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 1.0 110.083 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.31 -31.99 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.8 mt -92.57 1.03 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.6 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.14 -61.87 1.5 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.341 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.8 t80 -40.29 -52.08 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -69.05 -51.4 39.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.41 -54.61 7.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.46 -36.09 29.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.66 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.74 -45.77 84.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.3 -17.92 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.388 . . . . 1.0 110.071 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.4 t90 -104.45 -75.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.97 -59.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.948 0.78 . . . . 1.0 112.153 -179.626 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -71.46 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.575 -0.45 . . . . 1.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.7 mmtt -52.29 -5.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.792 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -121.36 -35.54 3.25 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.313 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -104.07 -40.16 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.08 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.05 -23.97 63.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 1.0 110.576 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.605 -179.977 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.727 0.298 . . . . 1.0 110.351 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.48 -22.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.85 -58.55 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.995 0.426 . . . . 1.0 110.567 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.35 -6.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.066 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -105.51 -36.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.704 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.44 -45.63 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.758 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.43 -66.91 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.839 0.352 . . . . 1.0 110.369 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.85 -13.41 0.86 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.553 -1.419 . . . . 1.0 109.553 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.4 tp -102.79 -26.4 13.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.481 . . . . 1.0 110.403 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -114.84 -55.05 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.46 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 1.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.49 -31.49 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -93.41 2.33 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.78 -61.48 1.44 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.369 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.1 t80 -40.71 -50.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.569 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -71.08 -50.63 31.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.687 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.64 -53.9 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -82.61 -35.17 27.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.59 -47.06 87.23 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.31 -16.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.26 -74.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.424 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -23.32 -58.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.087 0.867 . . . . 1.0 111.965 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.1 m-85 -72.63 -65.94 0.72 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.959 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 31.3 mmtt -46.78 -10.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.653 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.65 -42.12 3.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.927 179.526 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.33 -41.15 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.519 -179.354 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.7 tt0 -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.326 . . . . 1.0 111.355 -179.384 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.869 -0.333 . . . . 1.0 110.651 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.719 0.295 . . . . 1.0 110.556 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.665 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.05 -24.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.081 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.49 -66.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 1.0 110.237 179.409 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -47.79 -14.68 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -97.9 -38.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.84 -46.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.878 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.99 -67.02 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.96 -0.296 . . . . 1.0 110.414 179.417 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.84 -13.4 0.86 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.451 -1.46 . . . . 1.0 109.451 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -102.66 -25.79 13.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.327 -0.436 . . . . 1.0 110.378 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 79.8 t -111.5 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.695 179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -49.95 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.059 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.8 mt -61.03 -31.36 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.246 0.546 . . . . 1.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -95.96 7.34 46.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 m -142.93 -74.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.8 t80 -44.28 -46.6 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.492 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -76.68 -25.98 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.62 49.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.602 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.8 -31.09 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -58.89 -44.69 95.88 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -51.48 -17.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 1.0 110.222 -179.929 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.63 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.547 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -25.33 -59.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.91 0.756 . . . . 1.0 111.752 -179.393 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.3 m-85 -73.8 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.35 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.5 mmtm -54.31 -3.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.57 -179.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -123.45 -49.08 1.92 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.689 0.28 . . . . 1.0 110.529 179.415 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.5 tt -82.58 -43.98 16.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.815 0.34 . . . . 1.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.41 -7.88 58.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.81 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.888 179.952 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 6' ' ' TRP . 5.2 t . . . . . 0 C--O 1.231 0.08 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.542 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -92.84 -31.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.175 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.65 -70.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.648 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -46.7 -12.07 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.0 t -100.78 -37.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.12 -44.78 4.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 179.65 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.255 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.62 -13.81 0.88 Allowed Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.376 -1.49 . . . . 1.0 109.376 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.7 tp -102.01 -26.09 13.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.284 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.1 t -115.14 -55.94 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.723 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.01 -47.79 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.786 -0.366 . . . . 1.0 110.084 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.78 -31.19 72.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.72 5.31 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.443 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.29 -60.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.475 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.3 t80 -40.07 -50.54 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -68.11 -56.97 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.41 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.6 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -77.41 -40.95 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.781 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.44 -51.2 49.27 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -46.98 -19.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 1.0 110.323 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.2 t90 -105.35 -71.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.423 179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -24.48 -59.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.078 0.861 . . . . 1.0 112.094 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.9 m-85 -72.97 -59.18 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.322 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.7 mmtt -52.93 -4.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.752 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -122.18 -46.64 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.606 0.241 . . . . 1.0 110.943 179.823 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -87.46 -39.09 15.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 1.0 111.047 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.1 tt0 -82.75 -6.18 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.462 0.163 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.038 -179.838 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 1.0 110.308 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.19 -22.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.16 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.6 -56.93 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.495 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.78 -5.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.031 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.92 -37.56 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.676 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.55 -45.51 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 179.732 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -67.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.102 179.307 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.79 -13.54 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.45 -26.88 13.42 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.251 -0.474 . . . . 1.0 110.366 179.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 90.3 t -110.39 -52.71 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -53.52 5.41 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.562 -0.455 . . . . 1.0 109.863 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.07 -29.73 65.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.2 mt -99.38 12.5 36.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.5 m -135.21 -22.27 1.56 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.36 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ALA . 4.1 t80 -78.31 -48.04 16.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 1.0 110.567 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.1 -49.69 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.27 -43.89 3.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 24.3 m-85 -92.92 -39.21 11.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.425 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.14 -43.84 63.33 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -54.87 -18.32 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 1.0 110.222 179.878 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.0 t90 -105.11 -75.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -21.84 -58.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.048 0.843 . . . . 1.0 112.155 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.7 m-85 -74.3 -65.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -46.5 -13.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.531 -179.189 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.88 -50.19 2.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.0 111.082 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -83.8 -46.29 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.878 -179.235 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -70.77 -4.21 22.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.611 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.1 t . . . . . 0 C--O 1.231 0.084 0 N-CA-C 109.842 -0.429 . . . . 1.0 109.842 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.66 -26.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.303 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.56 -56.8 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.307 179.489 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.01 1.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -115.33 -34.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.91 -43.13 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.511 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -74.3 -67.05 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.936 -0.394 . . . . 1.0 109.936 179.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.741 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.03 -13.93 0.71 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.428 -1.469 . . . . 1.0 109.428 179.01 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.56 -27.12 13.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.44 -0.38 . . . . 1.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' ILE . 99.5 t -110.21 -53.28 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.79 -47.0 7.98 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.3 mt -64.29 -30.31 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.301 0.572 . . . . 1.0 109.639 179.327 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -98.55 10.19 41.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.17 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.7 m -143.66 -70.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.385 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.8 t80 -50.57 -44.29 56.69 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -80.72 -47.17 14.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.376 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.22 -55.12 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.923 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -85.55 -34.45 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.42 76.59 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.762 -0.935 . . . . 1.0 110.762 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 1.0 110.235 179.85 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.01 -74.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.434 179.586 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -21.86 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.986 0.804 . . . . 1.0 112.017 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.22 -64.98 0.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.732 -0.387 . . . . 1.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -47.49 -10.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.581 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.63 -50.53 2.62 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.788 0.327 . . . . 1.0 110.937 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.28 -40.36 18.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.859 -179.346 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.604 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mptt . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.303 179.776 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.643 0.259 . . . . 1.0 110.461 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.73 -22.87 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.224 179.76 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.62 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.84 -57.89 3.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 1.0 110.571 179.556 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.01 -5.84 0.5 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.983 -179.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.44 -36.93 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.747 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.48 -45.73 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.626 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.59 -67.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.755 0.312 . . . . 1.0 110.363 179.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.65 -13.67 0.86 Allowed Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.436 -1.466 . . . . 1.0 109.436 179.176 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.9 -26.24 13.19 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.354 -0.423 . . . . 1.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' ILE . 60.5 t -116.68 -55.55 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.472 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.35 -43.43 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 1.0 110.099 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.4 -33.19 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.678 -0.49 . . . . 1.0 109.678 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.8 mt -89.11 -3.98 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.34 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.41 -64.46 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.32 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -42.23 -48.26 4.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.47 -20.43 61.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -82.8 -47.95 11.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -34.18 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.062 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -58.58 -47.08 92.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.734 -0.946 . . . . 1.0 110.734 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -18.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.035 -0.266 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -107.86 -67.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.0 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -26.34 -53.8 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.967 0.792 . . . . 1.0 111.641 -179.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.4 m-85 -74.34 -65.71 0.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 1.0 111.608 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.0 mptp? -46.61 -11.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.618 -0.719 . . . . 1.0 111.54 -178.636 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.93 -49.72 2.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.747 0.308 . . . . 1.0 110.896 -179.833 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.9 -45.35 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.858 -179.532 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.54 -20.23 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.593 179.905 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.889 0.376 . . . . 1.0 110.378 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.689 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -103.14 -24.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.845 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.65 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.88 -57.29 3.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.677 179.54 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 1.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -114.02 -35.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.55 -43.72 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.461 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.7 -67.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 1.0 110.233 179.178 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.37 -14.37 0.91 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 178.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.0 -27.02 13.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.265 179.521 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.8 t -114.31 -56.15 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.768 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -42.78 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.325 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.94 -32.82 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -92.06 2.36 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.253 179.477 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.09 -62.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.299 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.3 t80 -45.67 -41.05 9.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.92 60.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.838 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.06 -48.91 6.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.409 . . . . 1.0 110.099 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.04 -44.5 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.588 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.34 -48.24 65.19 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.926 -1.269 . . . . 1.0 109.926 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -70.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 1.0 110.088 179.576 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.3 t90 -53.15 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.432 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.6 mt -24.12 -69.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.936 0.772 . . . . 1.0 111.999 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' C ' ' H ' ' A' ' 28' ' ' TYR . 13.0 m-85 -66.14 -51.63 56.09 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.524 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -64.0 14.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.026 0.38 . . . . 1.0 112.026 -179.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -140.09 -46.48 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.671 0.272 . . . . 1.0 110.284 179.068 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.1 -42.8 12.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 1.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.8 tt0 -80.49 -5.68 57.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.617 179.871 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.726 0.298 . . . . 1.0 110.241 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.75 -23.56 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.102 179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.58 -63.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 1.0 110.352 179.565 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.05 -9.09 0.08 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.139 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -103.08 -37.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.801 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.84 -45.48 5.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 179.708 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.72 -67.74 0.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.742 0.306 . . . . 1.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.51 -14.1 0.9 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.437 -1.465 . . . . 1.0 109.437 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -101.57 -26.34 13.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.343 -0.428 . . . . 1.0 110.18 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.8 t -116.1 -56.23 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.705 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.37 -42.35 4.58 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.215 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.95 -32.5 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 mt -91.41 -0.71 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.345 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.13 -62.1 1.56 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.288 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.0 t80 -45.61 -40.94 9.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.9 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.855 -179.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.21 -48.67 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 1.0 110.153 179.711 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -45.76 25.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 1.0 109.593 179.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.98 -47.98 58.92 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.885 -1.286 . . . . 1.0 109.885 179.162 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 1.0 110.193 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.3 t90 -52.91 -67.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.342 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.9 mt -24.88 -69.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.976 0.797 . . . . 1.0 112.022 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.4 m-85 -66.33 -47.95 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.441 -0.504 . . . . 1.0 111.401 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -69.13 25.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.701 -0.399 . . . . 1.0 111.631 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.597 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.77 -46.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.18 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -45.88 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.513 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -75.52 -4.09 37.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 1.0 109.803 179.549 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.071 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.747 0.308 . . . . 1.0 110.284 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.621 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.88 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.105 179.701 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.681 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -58.14 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 1.0 110.41 179.58 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.12 -7.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.045 -179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -105.02 -37.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.59 -45.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.705 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.36 -66.69 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.302 179.41 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.42 -13.05 1.08 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 109.383 -1.487 . . . . 1.0 109.383 179.079 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -102.87 -26.03 13.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.313 -0.443 . . . . 1.0 110.327 179.56 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.6 t -116.43 -55.57 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.667 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.6 -41.92 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.06 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -69.03 -32.81 72.59 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.464 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.3 mt -90.8 -1.28 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.288 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -118.86 -62.67 1.49 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -44.79 -41.08 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.828 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -17.92 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.813 -179.56 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -90.56 -48.06 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.819 0.343 . . . . 1.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -79.3 -45.5 19.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.683 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.91 -48.62 51.06 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 109.825 -1.31 . . . . 1.0 109.825 178.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.98 -68.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 1.0 110.018 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.5 t90 -54.74 -68.98 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.487 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 24' ' ' TRP . 3.6 mt -22.63 -65.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.997 0.811 . . . . 1.0 112.025 -179.548 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.8 m-85 -70.04 -51.54 31.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.367 -0.533 . . . . 1.0 111.042 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -67.54 31.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.386 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.593 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -160.03 -44.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 179.281 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.23 -35.46 14.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -87.81 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 1.0 110.073 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.645 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.735 0.302 . . . . 1.0 110.303 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.6 -22.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.123 179.794 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.641 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.75 -59.2 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.453 179.542 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.97 -4.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.095 -179.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -107.27 -37.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.24 -45.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.634 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -66.92 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.703 0.287 . . . . 1.0 110.257 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.87 -13.4 0.87 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.16 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.5 tp -102.77 -26.54 13.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.318 -0.441 . . . . 1.0 110.325 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.1 t -115.18 -54.43 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -46.62 7.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.83 -31.26 72.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.53 1.21 56.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.635 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.31 -60.32 1.57 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.0 t80 -40.32 -46.69 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.542 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -73.89 -52.22 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.08 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.697 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -80.63 -39.59 27.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.254 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.22 -44.48 57.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.743 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -19.0 2.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.0 110.537 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.6 t90 -106.57 -66.64 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.682 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -26.63 -54.98 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.985 0.803 . . . . 1.0 111.683 -179.432 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 5.8 m-85 -73.27 -66.34 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.487 . . . . 1.0 111.443 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.3 mptp? -44.45 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.395 -178.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.58 -49.54 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.191 -179.486 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -84.04 -34.36 24.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.901 0.382 . . . . 1.0 111.04 -179.028 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.3 tt0 -86.57 23.15 1.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.287 -179.792 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.752 0.311 . . . . 1.0 110.631 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.4 -26.11 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.981 179.669 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.85 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.986 0.422 . . . . 1.0 110.194 179.509 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.31 -15.33 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.032 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -97.61 -38.25 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.947 -179.802 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.48 -45.12 5.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.29 -67.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.716 0.293 . . . . 1.0 110.239 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.44 -13.95 0.85 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.1 -26.71 13.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.26 179.511 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 84.3 t -114.09 -55.43 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.59 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.51 -30.96 72.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.91 4.19 54.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.69 179.731 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.89 -59.98 1.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.452 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.6 -49.85 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.88 -50.57 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.75 11.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.41 -35.34 30.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.24 89.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.76 -18.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.0 109.886 179.886 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -104.08 -76.91 0.58 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.244 179.458 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.4 mt -20.16 -58.84 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.137 0.898 . . . . 1.0 112.006 -179.65 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.5 m-85 -73.64 -67.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.201 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.0 mmtt -46.92 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.293 -179.147 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -114.72 -36.44 4.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.691 -0.231 . . . . 1.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tp -103.89 -35.14 8.26 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.4 tt0 -70.79 -23.88 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.633 0.254 . . . . 1.0 111.546 -179.079 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.612 -179.701 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.698 0.285 . . . . 1.0 110.359 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.66 -23.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.218 179.687 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.632 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.47 -59.7 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.0 110.494 179.484 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.72 -8.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.013 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.2 t -104.0 -37.64 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.68 -45.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 179.787 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.15 -66.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.306 179.347 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.93 -13.39 0.88 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 109.441 -1.464 . . . . 1.0 109.441 179.11 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.0 tp -102.5 -26.21 13.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.338 -0.431 . . . . 1.0 110.377 179.507 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.6 t -114.85 -55.1 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.707 179.704 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.1 -47.86 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.921 -0.4 . . . . 1.0 109.921 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.14 -31.52 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -93.32 1.77 56.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.96 -61.49 1.49 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.313 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 t80 -40.38 -51.35 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.82 -52.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.712 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.46 -54.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.673 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -81.34 -37.4 28.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.733 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -54.52 -46.5 73.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.89 -18.61 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 1.0 110.283 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.7 t90 -104.4 -74.07 0.66 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.348 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.28 -60.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.988 0.805 . . . . 1.0 112.212 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.9 m-85 -71.1 -61.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.419 . . . . 1.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -52.76 -3.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.63 -179.214 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.501 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.97 -33.1 2.48 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 121.037 -0.265 . . . . 1.0 111.437 -179.761 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -102.14 -29.95 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 1.0 110.863 -179.055 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -89.68 -10.01 47.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 mptt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.345 0.593 . . . . 1.0 110.054 179.58 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.9 t . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.696 0.284 . . . . 1.0 110.43 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.14 -22.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.622 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.39 -56.82 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.48 179.555 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -5.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.024 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.23 -36.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.43 -45.78 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 179.665 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.5 -67.01 0.53 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.809 0.338 . . . . 1.0 110.305 179.467 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.89 -13.6 0.92 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.499 -1.44 . . . . 1.0 109.499 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -102.67 -26.16 13.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.317 -0.441 . . . . 1.0 110.349 179.499 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.9 t -116.07 -55.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.25 -43.02 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.157 179.815 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.91 -32.82 73.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.69 -2.69 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.285 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.26 -62.77 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.5 t80 -43.55 -41.65 4.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.811 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.4 -22.2 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.861 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.27 -47.8 9.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.81 0.338 . . . . 1.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -82.4 -43.88 16.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.568 -179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.69 92.54 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 7.7 t80 -57.48 -11.1 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.975 0.416 . . . . 1.0 109.98 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -112.21 -76.24 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.224 179.392 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.47 -57.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.098 0.874 . . . . 1.0 112.05 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.58 -57.5 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.366 -0.533 . . . . 1.0 111.201 -179.879 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -59.22 1.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.402 -178.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.33 -44.6 2.0 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.707 0.289 . . . . 1.0 110.495 179.134 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -93.52 -41.91 9.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.064 -179.733 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.17 -17.37 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.265 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.531 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 110.166 -0.309 . . . . 1.0 110.166 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -127.19 -24.7 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -39.39 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.906 0.384 . . . . 1.0 111.051 179.537 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -46.39 -13.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.414 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.4 t -97.94 -32.77 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.662 179.518 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.32 -43.82 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 179.406 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.5 -67.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.349 . . . . 1.0 110.218 179.456 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.39 -13.94 0.83 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 109.398 -1.481 . . . . 1.0 109.398 179.148 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.2 tp -101.6 -27.35 13.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.356 -0.422 . . . . 1.0 110.217 179.558 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.71 -56.08 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.623 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.33 -47.74 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.25 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -94.4 4.91 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.534 179.71 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.57 -60.43 1.32 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -39.94 -49.15 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 179.898 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.89 -50.34 30.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.4 -54.22 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -80.76 -37.1 31.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.41 -45.8 82.45 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.207 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -108.21 -73.98 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.554 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.84 -56.67 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.046 0.841 . . . . 1.0 111.935 -179.556 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.1 m-85 -75.59 -64.24 1.12 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 1.0 110.867 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.8 mmtm -47.54 -10.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.648 -179.239 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.94 -50.91 2.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.716 0.293 . . . . 1.0 111.029 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -85.31 -44.64 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.922 -179.647 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -71.78 -15.62 62.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.532 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mptt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 179.829 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.261 -0.274 . . . . 1.0 110.261 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.534 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -125.3 -24.83 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-O 120.722 0.296 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.34 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.872 0.368 . . . . 1.0 110.919 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -44.99 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.3 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 22.6 t -96.22 -33.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.785 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.04 -44.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.468 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.17 -66.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.779 0.323 . . . . 1.0 110.19 179.448 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.61 0.84 Allowed Glycine 0 CA--C 1.517 0.217 0 N-CA-C 109.471 -1.452 . . . . 1.0 109.471 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -102.0 -27.1 13.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.382 -0.409 . . . . 1.0 110.288 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 85.4 t -115.29 -56.06 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.652 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.75 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 1.0 110.006 179.707 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.41 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 179.327 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.64 5.84 50.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.55 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -126.53 -60.36 1.25 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.441 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.76 -49.26 2.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.84 -50.9 25.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.461 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.35 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.95 -37.46 29.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -47.05 75.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.1 -16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.0 110.32 -179.904 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.9 t90 -107.46 -74.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.522 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.36 -56.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.963 0.79 . . . . 1.0 111.921 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.3 m-85 -75.97 -64.31 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.899 0.381 . . . . 1.0 110.817 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -48.11 -10.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.604 -179.114 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.58 -51.07 2.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 121.062 -0.255 . . . . 1.0 110.966 179.867 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.76 -42.78 13.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 1.0 110.952 -179.581 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.33 -14.12 60.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.267 179.803 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 1.1 t . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.493 0.187 . . . . 1.0 110.832 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.08 -24.42 2.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 120.783 0.325 . . . . 1.0 110.684 -179.704 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.41 -70.68 0.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.052 179.641 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.87 -11.02 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.502 -179.617 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -99.16 -34.32 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.538 179.47 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.08 -44.85 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 109.763 -0.458 . . . . 1.0 109.763 179.385 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.8 -66.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.834 0.35 . . . . 1.0 110.237 179.403 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.2 -13.14 0.97 Allowed Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.442 -1.463 . . . . 1.0 109.442 179.191 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -102.75 -25.95 13.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.33 -0.435 . . . . 1.0 110.35 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.4 t -111.46 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.724 179.69 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.34 -48.64 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.988 0.423 . . . . 1.0 110.091 179.881 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.6 mt -62.35 -31.18 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.245 0.545 . . . . 1.0 109.607 179.264 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -96.45 7.65 45.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.448 -0.797 . . . . 1.0 110.251 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' VAL . 18.7 m -142.55 -73.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.517 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.76 -48.44 15.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.63 -50.93 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.527 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.67 5.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.749 -179.857 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.06 -37.27 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.57 -46.48 73.83 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.52 -16.49 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.918 0.39 . . . . 1.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.463 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -107.22 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.42 -56.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.991 0.807 . . . . 1.0 111.978 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.44 -64.51 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.875 0.369 . . . . 1.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 17.9 mmtt -47.91 -10.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.688 -179.084 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.66 -51.09 2.81 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.011 -0.276 . . . . 1.0 110.981 179.859 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.56 -42.67 14.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.826 0.346 . . . . 1.0 110.947 -179.603 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -74.55 -14.02 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.615 -179.819 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.27 179.81 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.291 . . . . 1.0 110.27 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -111.37 -22.26 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.279 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.697 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.49 -56.44 4.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.54 179.655 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.87 -6.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.021 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -106.25 -37.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.75 -46.0 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.652 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.64 -67.7 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.697 0.284 . . . . 1.0 110.384 179.516 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.17 -14.6 0.88 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 179.241 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.3 tp -101.44 -27.11 13.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.456 -0.372 . . . . 1.0 110.182 179.635 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.8 t -117.9 -57.27 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.629 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.08 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.093 179.722 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.32 -32.91 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -91.61 2.16 56.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.147 179.483 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.4 -62.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.18 -40.53 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.794 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.68 -17.19 59.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.953 -179.529 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.26 -47.4 7.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.823 0.345 . . . . 1.0 110.31 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.81 -37.81 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.487 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.49 59.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 24.0 t80 -55.6 -19.02 8.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.109 0.48 . . . . 1.0 109.983 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.461 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 31.9 t90 -99.04 -76.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.57 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.27 -59.64 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.03 0.831 . . . . 1.0 112.307 -179.507 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.2 m-85 -70.47 -62.98 1.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.441 -179.473 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -55.13 0.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -127.43 -34.05 2.29 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.043 -0.263 . . . . 1.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -105.61 -39.25 6.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.303 -179.545 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.57 -21.44 63.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.196 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.01 -179.836 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.752 0.311 . . . . 1.0 110.267 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.613 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.95 -22.88 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.097 179.722 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.688 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.17 -60.93 1.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 1.0 110.432 179.516 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.15 -9.46 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.148 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -102.94 -37.65 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.799 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.82 -45.94 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 179.812 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.94 -67.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.946 -0.302 . . . . 1.0 110.39 179.468 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.97 -13.46 0.91 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -102.57 -26.74 13.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.378 -0.411 . . . . 1.0 110.226 179.596 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 60.1 t -115.89 -56.6 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -42.23 -42.42 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.756 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.99 -40.12 90.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 178.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 24.0 mt -80.57 -10.38 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.708 179.785 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -109.68 -65.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' ALA . 20.0 t80 -39.22 -41.61 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.9 mp -74.22 -53.63 9.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.33 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.62 -49.36 37.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.678 -179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -81.26 -35.32 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.753 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -60.84 -49.53 77.54 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -48.62 -18.4 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.124 0.488 . . . . 1.0 109.819 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.4 t90 -104.41 -74.68 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.359 179.693 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.92 -59.0 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.066 0.854 . . . . 1.0 112.071 -179.577 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -70.86 -62.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 23.1 mmtt -53.75 -1.54 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.838 -179.155 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.18 -34.5 2.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.173 179.862 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -104.7 -40.85 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 1.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 26' ' ' PHE . 4.0 tt0 -67.44 -20.47 65.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.813 -179.734 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.737 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 6' ' ' TRP . 5.6 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 1.0 110.223 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.599 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.08 -26.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.072 179.715 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.739 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.49 -69.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 1.0 110.468 179.497 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -46.63 -12.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.4 t -99.91 -36.57 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.81 -44.55 4.51 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.631 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.83 -68.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.178 179.359 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.96 -14.46 0.78 Allowed Glycine 0 CA--C 1.518 0.267 0 N-CA-C 109.445 -1.462 . . . . 1.0 109.445 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -100.99 -26.56 13.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.287 -0.457 . . . . 1.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.8 t -117.06 -56.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.635 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.65 -42.28 5.16 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.54 -32.74 72.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 179.369 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mt -91.51 0.18 57.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.247 179.591 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.42 -62.55 1.45 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.336 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -43.49 -40.99 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -22.15 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.822 -179.629 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.49 -47.52 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 1.0 110.504 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -82.52 -43.64 16.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.28 93.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.2 t80 -57.09 -11.66 1.71 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.057 0.456 . . . . 1.0 110.086 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -111.06 -75.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.188 179.384 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.91 -58.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.172 0.92 . . . . 1.0 112.137 -179.716 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -74.98 -55.75 5.45 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.412 -0.515 . . . . 1.0 111.424 -179.75 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -61.16 4.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.351 -178.543 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -128.04 -43.68 1.49 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.729 0.3 . . . . 1.0 110.406 179.123 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -93.35 -37.72 11.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.117 -179.647 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.41 -11.46 54.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.569 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mptt . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.58 -179.972 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.714 0.293 . . . . 1.0 110.244 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.92 -21.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.17 179.72 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.705 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.37 -57.17 3.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.973 0.416 . . . . 1.0 110.46 179.627 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -7.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.035 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.94 -37.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.722 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.54 -46.27 5.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.807 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.38 -66.1 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.8 0.333 . . . . 1.0 110.327 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.754 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.53 -12.79 1.09 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.135 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -103.85 -25.71 12.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.348 -0.426 . . . . 1.0 110.531 179.728 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' LEU . 92.8 t -112.15 -53.47 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.61 -48.37 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.0 mt -62.95 -30.45 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 1.0 109.733 179.297 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.68 7.3 46.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.038 179.431 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 13.2 m -142.5 -74.61 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.7 t80 -44.79 -41.48 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -81.78 -13.56 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.97 -47.11 8.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -85.35 -38.69 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -60.43 -47.73 89.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.796 -0.921 . . . . 1.0 110.796 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 9.0 t80 -55.54 -10.56 0.68 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.0 110.074 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -110.82 -75.73 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.206 179.426 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.86 -58.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.942 0.776 . . . . 1.0 111.902 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.4 m-85 -73.05 -50.93 20.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.372 -179.51 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -70.16 23.88 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.496 -0.482 . . . . 1.0 111.115 -178.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.15 -46.46 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.03 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.32 -44.07 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.836 -0.345 . . . . 1.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.6 tt0 -75.52 -3.48 34.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.047 0.451 . . . . 1.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.373 179.703 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.639 0.257 . . . . 1.0 110.446 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.86 -23.4 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.038 179.673 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.65 -57.61 3.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 1.0 110.4 179.582 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.9 -9.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.122 -179.826 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.6 t -102.83 -37.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.06 -46.56 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 179.827 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.88 -66.11 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.776 0.322 . . . . 1.0 110.371 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.21 -13.11 0.97 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 179.155 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -103.39 -25.97 13.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.458 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' LEU . 96.3 t -111.63 -53.33 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.35 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 1.0 110.078 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.8 mt -62.82 -31.07 72.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 1.0 109.599 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.9 mt -96.41 7.42 46.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 1.0 110.286 179.404 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 32.6 m -142.37 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.4 t80 -45.1 -50.47 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -69.83 -55.62 9.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.638 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.58 -55.4 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.19 -46.48 17.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.183 179.886 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -43.03 -52.2 5.83 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.327 -1.109 . . . . 1.0 110.327 179.488 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -48.47 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.669 0.271 . . . . 1.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.1 t90 -79.3 -61.01 2.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.58 -179.374 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -30.23 -55.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 1.0 112.414 -178.736 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 4.8 m-85 -70.37 -65.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 1.0 112.007 -179.03 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 11.2 mptt -48.09 -6.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.781 -0.645 . . . . 1.0 112.088 -178.387 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.64 -48.19 2.29 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.223 -0.191 . . . . 1.0 110.911 179.63 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.16 -34.84 17.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.641 -179.777 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.0 tt0 -84.03 -9.21 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.679 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.952 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 1.0 110.42 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.654 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.48 -24.47 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.019 179.695 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.56 -63.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 1.0 110.239 179.427 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.28 -12.26 0.14 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.083 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -100.47 -38.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.63 -46.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.941 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.41 -66.54 0.57 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.709 0.29 . . . . 1.0 110.351 179.434 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.26 -13.16 1.01 Allowed Glycine 0 CA--C 1.518 0.254 0 N-CA-C 109.486 -1.445 . . . . 1.0 109.486 179.241 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -103.12 -25.7 13.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.294 -0.453 . . . . 1.0 110.386 179.745 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' ILE . 92.7 t -111.98 -53.25 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.72 -48.68 7.98 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.023 179.826 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.4 mt -62.25 -30.48 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.215 0.531 . . . . 1.0 109.617 179.36 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.56 6.15 49.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.241 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 m -141.53 -72.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.7 t80 -45.75 -47.04 15.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -75.0 -50.97 14.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.24 -54.82 4.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.735 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -81.41 -39.01 25.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.77 -42.84 53.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.788 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -16.17 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 1.0 110.69 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.3 t90 -111.1 -64.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.732 -179.811 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -28.08 -55.02 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.803 0.689 . . . . 1.0 111.501 -179.488 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 28' ' ' TYR . 6.1 m-85 -73.99 -64.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.228 0.537 . . . . 1.0 111.093 179.737 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 3.8 mptp? -45.65 -12.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.444 -178.547 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.86 -49.95 2.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.629 0.252 . . . . 1.0 111.345 -179.768 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -84.78 -25.27 28.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 1.0 111.304 -178.769 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 tt0 -96.47 18.42 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.092 0.472 . . . . 1.0 109.993 179.889 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 5' ' ' ILE . 1.1 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.554 0.216 . . . . 1.0 110.824 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.49 -23.88 2.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.877 0.37 . . . . 1.0 110.691 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.78 -70.52 0.1 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.995 179.631 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -8.89 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.435 -179.537 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -101.38 -33.46 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.541 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -117.11 -43.96 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.04 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.38 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.61 -67.38 0.49 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 1.0 110.225 179.303 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.5 -14.12 0.9 Allowed Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.09 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.28 -26.97 13.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.339 -0.43 . . . . 1.0 110.188 179.615 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.0 t -116.2 -56.96 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.649 179.684 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -46.85 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 179.682 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.29 -31.51 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.434 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.42 5.26 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.439 179.632 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.88 -60.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.401 179.919 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.4 t80 -40.14 -47.06 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.649 179.903 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -70.76 -55.65 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.44 179.789 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.89 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.581 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -75.27 -47.41 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -48.5 -55.68 10.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -34.78 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.612 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.5 t90 -88.41 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.038 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -26.52 -55.57 0.07 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.849 0.718 . . . . 1.0 112.154 -179.321 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -71.42 -58.36 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.507 -179.326 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -66.33 31.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.79 -179.08 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.04 -44.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.041 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -93.29 -39.76 10.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -79.78 -0.75 35.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.446 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.618 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.65 0.262 . . . . 1.0 110.669 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.618 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.7 -25.81 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.982 179.842 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.5 -69.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.3 179.422 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -45.46 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -97.81 -36.53 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.158 -179.75 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.34 -44.68 4.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 179.726 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.58 -67.65 0.47 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.738 0.304 . . . . 1.0 110.309 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.43 -14.68 0.99 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 109.435 -1.466 . . . . 1.0 109.435 179.154 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -100.73 -26.57 13.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.2 t -116.97 -57.02 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -41.44 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.161 179.842 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 15' ' ' LEU . 51.2 tp -69.32 -32.78 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.53 -2.58 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.286 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -117.77 -61.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.2 t80 -46.74 -39.29 11.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -77.71 -13.3 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.041 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.1 -46.89 5.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.838 0.351 . . . . 1.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -82.66 -34.2 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -69.49 -53.25 17.66 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 26.3 t80 -55.45 -11.32 0.81 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.076 0.465 . . . . 1.0 110.126 179.904 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.8 t90 -105.48 -67.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' TRP . 8.3 mt -34.85 -55.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -179.759 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.44 -20.86 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.874 -179.064 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.09 32.65 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.726 -179.829 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.8 -53.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.906 179.35 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -81.64 -45.0 16.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 1.0 110.589 -179.558 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.8 -18.92 64.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.554 -179.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mptt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.395 179.656 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 1.0 110.56 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.668 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.39 -22.93 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.998 179.721 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.595 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.76 -64.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.346 179.553 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -52.48 -7.25 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.88 -37.41 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 121.138 -0.225 . . . . 1.0 110.676 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.21 -44.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.518 -0.549 . . . . 1.0 109.518 179.688 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.81 0.46 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 1.0 110.143 179.238 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.22 -14.04 0.79 Allowed Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.087 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.42 -27.03 13.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.3 -0.45 . . . . 1.0 110.353 179.509 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 80.4 t -114.38 -55.74 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.735 179.735 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -48.11 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.06 179.661 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.45 -30.93 71.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.0 mt -96.04 7.8 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.574 179.603 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -127.97 -59.54 1.18 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.9 t80 -40.08 -46.23 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.633 179.863 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -74.23 -51.06 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.671 -179.864 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -80.12 -42.96 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.861 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -50.57 -50.36 36.57 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -21.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.392 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.4 t90 -102.8 -63.04 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -31.05 -51.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.637 0.585 . . . . 1.0 111.708 -179.111 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 6.4 m-85 -73.54 -62.43 1.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.825 -179.53 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -52.64 -1.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.803 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.57 -44.7 1.96 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.171 -0.211 . . . . 1.0 110.789 179.545 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.53 -33.67 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.493 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.5 tt0 -85.63 -13.86 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.698 0.285 . . . . 1.0 110.561 179.831 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.519 179.692 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.1 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.731 0.301 . . . . 1.0 110.425 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.06 -22.87 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.086 179.728 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.651 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -56.99 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.399 179.568 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.9 -10.8 1.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.97 -179.801 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.55 -38.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.56 -46.89 6.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.106 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.889 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.43 -66.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.309 179.423 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.14 -13.18 0.94 Allowed Glycine 0 CA--C 1.519 0.29 0 N-CA-C 109.481 -1.448 . . . . 1.0 109.481 179.195 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.56 -25.24 13.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.367 -0.417 . . . . 1.0 110.514 179.742 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' ILE . 95.4 t -112.22 -53.31 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.678 179.754 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.75 -49.07 8.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.031 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.1 mt -62.06 -30.39 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 109.661 179.284 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -96.41 7.22 47.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.154 179.427 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 m -143.05 -74.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.6 t80 -44.23 -40.65 5.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -81.97 -15.35 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.09 -46.85 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.502 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -85.31 -41.06 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.86 -46.67 92.13 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.835 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.4 t80 -56.88 -12.32 1.9 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.956 0.408 . . . . 1.0 110.05 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -109.02 -76.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.136 179.477 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -24.32 -59.38 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.029 0.83 . . . . 1.0 112.17 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -72.31 -55.89 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.131 -0.628 . . . . 1.0 111.172 -179.445 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.33 10.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.538 -178.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -136.9 -36.74 0.67 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.669 0.271 . . . . 1.0 110.374 179.097 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -101.78 -40.08 7.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.396 -179.377 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.55 -12.43 61.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.842 0.353 . . . . 1.0 110.523 -179.8 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.626 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.723 0.297 . . . . 1.0 110.357 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -23.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.049 179.669 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.631 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.93 -57.5 3.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.465 179.598 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.57 -7.58 0.68 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.069 -179.757 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -104.66 -38.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.768 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.02 -46.0 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.46 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.359 179.504 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.05 -13.16 0.88 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.114 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.82 -27.08 12.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.493 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.4 t -111.19 -52.72 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.683 179.742 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.83 -46.45 5.26 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.142 -0.318 . . . . 1.0 110.142 179.862 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.75 -32.06 73.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 179.374 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.5 mt -96.7 15.92 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.272 179.296 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 18' ' ' PHE . 1.1 m -136.17 -61.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.618 . . . . 1.0 109.69 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.5 t80 -45.04 -47.84 11.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.052 179.235 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -80.05 -44.26 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.301 179.591 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -55.72 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.63 -33.13 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 1.0 110.16 179.762 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.38 -44.08 52.4 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.469 -1.052 . . . . 1.0 110.469 179.553 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.59 -19.63 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.058 0.456 . . . . 1.0 110.308 179.809 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -102.4 -76.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.724 179.307 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.1 mt -22.02 -61.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 124.027 0.829 . . . . 1.0 112.309 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.4 m-85 -71.4 -60.76 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.269 -0.572 . . . . 1.0 111.649 -179.291 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.8 mmtp -54.26 -17.48 2.94 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.648 -0.421 . . . . 1.0 111.777 -178.85 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -100.23 -40.34 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.792 179.392 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -95.82 -43.37 7.89 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.502 -0.479 . . . . 1.0 111.052 -179.749 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.1 tp-100 -50.24 -36.49 31.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 1.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.773 -179.509 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.6 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.898 0.38 . . . . 1.0 110.33 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.694 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -24.94 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.903 179.786 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.63 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 1.0 110.36 179.443 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -48.26 -12.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.7 t -99.86 -37.97 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.198 -179.842 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.78 -44.74 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 179.658 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.724 0.297 . . . . 1.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.99 -13.63 0.96 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.77 -26.52 13.44 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.256 -0.472 . . . . 1.0 110.203 179.514 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.6 t -117.21 -56.66 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.97 -41.45 5.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.079 179.835 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.11 -32.6 72.11 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.91 -2.04 57.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.363 179.451 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.94 -62.24 1.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -45.47 -39.91 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.33 -17.88 59.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.017 -179.614 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.32 -47.49 7.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.953 0.406 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -77.35 -42.58 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.19 -47.22 87.25 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.896 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 39.6 t80 -56.11 -8.12 0.43 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.827 0.346 . . . . 1.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.7 t90 -116.13 -73.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.408 179.748 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.4 mt -23.59 -51.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.09 0.869 . . . . 1.0 111.932 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.0 m-85 -73.93 -74.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.948 -179.623 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -45.87 -10.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.937 0.347 . . . . 1.0 111.937 -178.537 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -111.42 -49.64 2.99 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.886 179.722 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -88.47 -42.59 12.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.006 -179.372 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.8 tt0 -74.31 -14.35 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.721 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.277 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 tptt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -139.82 -36.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.604 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.605 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.7 t60 -166.08 -127.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.488 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t -118.85 -116.13 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.326 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.12 -21.59 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.148 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.69 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.33 -57.01 3.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.896 0.379 . . . . 1.0 110.605 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.03 -5.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.957 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.79 -36.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.651 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.75 -45.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.57 -66.87 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.788 0.328 . . . . 1.0 110.221 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.91 -13.38 0.87 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.92 -26.36 13.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.268 -0.466 . . . . 1.0 110.358 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.1 t -115.05 -54.92 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.608 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.11 -46.85 5.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.861 0.362 . . . . 1.0 110.054 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -65.23 -31.54 72.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.58 2.51 56.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.57 -60.89 1.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.44 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.7 t80 -40.59 -48.37 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.689 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.58 -57.86 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.726 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.07 -53.11 4.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.76 -41.91 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.51 58.9 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.43 -17.64 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 1.0 110.308 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -106.47 -73.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.506 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.51 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.079 0.862 . . . . 1.0 112.126 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.15 -64.31 1.08 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.996 0.427 . . . . 1.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -47.75 -10.62 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.93 -51.2 2.79 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 121.052 -0.259 . . . . 1.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.29 -42.62 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 1.0 110.93 -179.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.61 -13.9 60.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.611 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.4 70.14 0.84 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.25 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -143.55 -67.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.61 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -167.13 -127.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.462 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t -120.5 -116.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.608 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.58 -22.23 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.147 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.678 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.43 -57.32 3.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.486 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -4.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.027 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -107.68 -37.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.18 -45.53 5.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.538 -0.542 . . . . 1.0 109.538 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.66 -66.67 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.8 0.333 . . . . 1.0 110.227 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.09 -13.23 0.92 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.48 -1.448 . . . . 1.0 109.48 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.2 tp -102.79 -26.43 13.15 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.265 -0.467 . . . . 1.0 110.299 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 71.1 t -114.07 -54.99 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.682 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.26 -48.75 6.73 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.57 -30.45 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.5 mt -95.8 5.03 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.636 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.82 -59.49 1.35 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.341 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.4 t80 -39.83 -48.94 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.631 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.35 -51.97 18.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.5 -54.29 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -81.11 -38.67 26.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.703 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -47.02 66.24 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.11 -17.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 1.0 110.243 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.5 t90 -106.63 -73.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.4 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.066 0.854 . . . . 1.0 111.942 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.42 -63.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.908 0.385 . . . . 1.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -48.59 -8.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.645 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -115.35 -51.19 2.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.657 0.265 . . . . 1.0 110.862 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.26 -44.2 13.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.836 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.66 -15.89 61.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.561 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -115.45 87.53 2.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.579 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -139.71 -36.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -166.15 -126.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -119.79 -116.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.277 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.603 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.51 -21.88 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.18 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.47 -57.0 3.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -6.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.959 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.76 -37.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.759 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.31 -45.49 4.94 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.6 -66.66 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.251 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.01 -13.17 0.86 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 tp -102.97 -26.62 13.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.365 -0.418 . . . . 1.0 110.319 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.3 t -114.77 -55.18 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.627 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.64 7.21 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.87 -30.79 71.84 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.2 mt -95.82 6.65 48.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.505 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -127.23 -59.66 1.23 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.437 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.94 -49.31 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.72 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.24 -50.2 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.614 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -80.78 -37.22 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.32 -45.7 82.28 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.71 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 1.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.4 t90 -107.63 -74.04 0.67 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.412 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.6 -57.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.948 0.78 . . . . 1.0 111.981 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.0 m-85 -75.36 -64.23 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.89 0.376 . . . . 1.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.2 mmtm -47.51 -11.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.686 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.54 -51.2 2.81 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.07 -0.252 . . . . 1.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.28 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 1.0 110.942 -179.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.03 -13.61 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.07 70.16 0.83 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.312 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.156 -0.926 . . . . 1.0 110.678 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.8 tttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.28 -77.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.5 t60 -172.17 -170.81 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.443 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.649 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.4 t -77.7 -109.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.505 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.646 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.77 -25.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.982 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.7 -65.46 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -48.51 -14.76 0.07 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.065 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -98.19 -39.49 8.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.063 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -110.5 -46.42 6.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.87 -66.89 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 110.218 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.95 -13.63 0.94 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.2 -25.64 13.62 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.329 -0.435 . . . . 1.0 110.39 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 75.4 t -111.36 -53.56 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.729 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -49.48 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.013 -0.365 . . . . 1.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.3 mt -61.61 -30.98 71.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -96.17 6.52 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.385 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.5 m -141.85 -73.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.49 -48.76 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.488 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.12 -51.15 19.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.49 5.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.42 -37.46 25.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.691 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -46.73 70.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.18 -16.93 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.73 -74.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.497 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.38 -56.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.021 0.825 . . . . 1.0 112.067 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.46 -64.54 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 1.0 110.966 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.82 -10.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.662 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.11 -51.34 2.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.654 0.264 . . . . 1.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.33 -42.98 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.913 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.05 -14.38 60.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.06 69.54 0.81 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.282 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.647 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.17 -46.54 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.527 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.659 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -161.71 -121.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -119.68 -116.57 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.434 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.8 -21.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.294 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.01 -65.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.037 0.446 . . . . 1.0 110.338 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -50.16 -9.7 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.135 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -102.24 -36.2 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.939 -0.305 . . . . 1.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.42 -44.51 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.783 0.325 . . . . 1.0 110.255 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.57 -14.08 0.92 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 109.399 -1.48 . . . . 1.0 109.399 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.1 tp -101.3 -26.55 13.59 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.235 -0.482 . . . . 1.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.7 -57.17 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.645 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -43.22 5.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.097 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.27 -32.5 72.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.95 1.46 57.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.288 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.47 -62.58 1.41 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.282 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.43 -42.18 4.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.764 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.15 -20.37 59.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.835 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.6 -47.68 8.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 1.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -81.96 -33.14 30.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.569 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.03 -51.01 42.24 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.02 -25.03 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.953 0.406 . . . . 1.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.2 t90 -98.74 -69.72 0.75 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -23.58 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.93 0.769 . . . . 1.0 111.994 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.3 m-85 -71.29 -64.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.98 0.419 . . . . 1.0 111.36 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -49.03 -7.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 1.0 112.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.53 -47.38 2.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.704 0.287 . . . . 1.0 110.699 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.08 -42.33 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.838 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.7 tt0 -75.64 -12.79 60.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 4.0 mptt -110.3 -40.51 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.468 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.59 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -75.04 -163.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.563 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.9 t60 -51.17 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.646 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.644 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -69.64 -113.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.679 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.605 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.69 -21.7 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.181 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.64 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -58.32 2.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.461 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.34 -7.63 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.872 -0.331 . . . . 1.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -103.58 -37.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.734 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.57 -45.6 5.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.56 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.852 0.358 . . . . 1.0 110.176 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.58 0.83 Allowed Glycine 0 CA--C 1.519 0.284 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 tp -102.25 -26.34 13.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.259 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -115.38 -55.81 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -47.39 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.074 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.75 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -93.84 3.98 54.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.619 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -124.36 -61.41 1.34 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.7 t80 -40.59 -49.59 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.605 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -71.55 -52.45 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.57 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.731 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.37 -38.34 26.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.744 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.76 -46.83 66.59 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.44 -17.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 1.0 110.351 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -106.79 -72.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.424 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.96 -58.59 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.09 0.869 . . . . 1.0 111.956 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.8 m-85 -73.83 -62.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 1.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -50.59 -6.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.776 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.88 -47.31 2.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.673 0.273 . . . . 1.0 110.916 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -88.6 -38.8 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 1.0 110.918 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -80.95 -13.08 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -116.01 -42.81 3.03 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.556 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.91 131.98 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.481 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.1 t60 -61.62 -176.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.582 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.65 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.6 t -56.39 -110.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.46 -24.04 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.106 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.97 -66.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.999 0.428 . . . . 1.0 110.25 179.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -48.05 -13.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.9 t -99.14 -39.07 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.11 -45.06 5.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.86 -67.54 0.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.732 0.301 . . . . 1.0 110.312 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.78 -13.74 0.91 Allowed Glycine 0 CA--C 1.518 0.28 0 N-CA-C 109.438 -1.465 . . . . 1.0 109.438 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.5 tp -101.78 -26.43 13.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.245 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.4 t -117.02 -56.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.746 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -41.96 4.58 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.063 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.04 -33.29 73.38 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.4 mt -90.45 0.16 57.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.189 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.22 -63.5 1.36 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.9 t80 -43.37 -42.53 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.777 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.15 -21.64 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.861 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.44 -48.5 8.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 1.0 110.463 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -80.81 -36.3 31.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -63.05 -53.14 42.5 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.71 -0.956 . . . . 1.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.1 -38.29 4.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.965 0.412 . . . . 1.0 110.412 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 25.4 t90 -85.29 -67.86 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.084 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.9 mt -24.08 -56.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.846 0.716 . . . . 1.0 112.438 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 9.2 m-85 -70.99 -65.04 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.806 -0.358 . . . . 1.0 111.885 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.51 -2.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -121.42 -42.36 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.273 . . . . 1.0 110.535 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -94.97 -38.11 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -82.1 -8.54 59.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.642 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.85 71.07 0.88 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.09 -0.957 . . . . 1.0 110.731 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.563 ' HB3' ' HZ3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.1 120.89 27.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.576 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.569 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.1 t60 39.01 -128.38 0.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.797 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.709 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t -125.03 -109.55 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.709 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.87 -24.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.055 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.78 -65.33 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.926 0.393 . . . . 1.0 110.422 179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.72 -12.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.111 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -99.94 -38.69 6.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -45.6 5.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.71 -67.41 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.755 0.312 . . . . 1.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.34 -14.41 0.91 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.7 tp -101.38 -26.72 13.5 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.326 -0.437 . . . . 1.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.1 t -116.06 -56.08 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.638 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -42.65 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.092 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 tp -68.18 -33.46 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.0 mt -89.96 -2.69 58.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.361 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.36 -63.43 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.425 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -43.21 -43.53 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.92 -21.49 60.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.867 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.89 -48.4 8.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 1.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -81.11 -38.72 26.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -60.8 -52.49 52.06 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.92 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 1.0 110.482 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 24.9 t90 -89.52 -67.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.101 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -24.77 -55.6 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.899 0.75 . . . . 1.0 112.233 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 8.7 m-85 -71.65 -65.3 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.937 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -53.42 -1.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.368 0.507 . . . . 1.0 112.368 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.577 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -122.44 -43.28 2.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.646 0.26 . . . . 1.0 110.551 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -94.02 -38.73 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.3 tt0 -81.08 -9.44 59.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.436 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -119.23 70.05 0.83 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.025 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.672 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.8 OUTLIER 59.47 123.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.574 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.9 t60 -52.78 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -55.17 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.685 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.88 -25.56 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.949 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.09 -69.17 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 1.0 110.134 179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -45.69 -14.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.6 t -97.69 -38.78 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.934 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.97 -45.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.06 -66.84 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.746 0.308 . . . . 1.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.3 0.95 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.38 -25.56 13.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.301 -0.449 . . . . 1.0 110.341 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 74.3 t -111.52 -53.31 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.56 -49.7 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.028 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.5 mt -61.34 -30.42 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 1.0 109.642 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -96.3 6.53 48.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.289 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' VAL . 19.7 m -142.48 -73.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.523 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.1 t80 -44.89 -45.19 10.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -77.79 -50.54 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.15 -54.79 4.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.67 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -82.57 -38.7 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.59 -46.57 58.82 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.17 -17.67 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 1.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.32 -57.3 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.99 0.806 . . . . 1.0 112.089 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.4 m-85 -75.19 -64.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.5 mmtt -47.44 -10.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.572 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.68 -51.2 2.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.676 0.274 . . . . 1.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.22 -44.22 13.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 1.0 111.043 -179.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -71.59 -16.56 62.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.719 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 32' ' ' LYS . 11.2 mptt -109.04 -45.71 3.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.543 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.15 -0.929 . . . . 1.0 110.63 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 -72.38 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.604 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.575 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.82 -127.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t -126.81 -113.19 0.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.394 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.27 -22.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.212 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.34 3.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.502 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.38 -5.86 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.966 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.17 -37.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.734 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.97 -45.66 5.11 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.7 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.138 -0.319 . . . . 1.0 110.138 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.23 -13.14 0.99 Allowed Glycine 0 CA--C 1.521 0.423 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.7 tp -102.76 -26.2 13.25 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.393 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.15 -54.97 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.645 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -47.19 7.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.52 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.5 mt -93.3 2.14 56.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.522 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.71 -61.57 1.44 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.2 t80 -40.43 -50.21 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.692 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.16 -52.38 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.06 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.758 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.54 -38.15 26.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.81 -46.96 66.69 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.28 -17.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 1.0 110.265 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -106.01 -74.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.418 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.91 -57.83 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.02 0.825 . . . . 1.0 112.015 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.6 m-85 -74.87 -64.99 0.93 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -46.98 -10.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.517 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.08 -50.81 2.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.663 0.268 . . . . 1.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -32.81 22.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.21 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' PHE . 3.7 tt0 -86.4 -11.91 50.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.69 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -115.16 63.68 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 1.0 110.597 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.028 -0.987 . . . . 1.0 110.44 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.8 tttt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 120.04 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.516 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.537 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 40.42 -124.99 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.57 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.7 t -127.24 -109.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.328 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.702 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -118.62 -24.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.111 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.588 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.44 -62.98 0.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 1.0 110.461 179.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.78 -8.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.109 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.9 t -103.58 -37.72 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.753 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.58 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.02 -67.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.776 0.322 . . . . 1.0 110.315 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.58 -13.76 0.85 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.26 -26.66 13.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.391 -0.405 . . . . 1.0 110.367 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 79.3 t -114.18 -55.05 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.698 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.41 6.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.372 . . . . 1.0 110.102 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.78 -31.14 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.64 3.98 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.41 -60.17 1.42 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.1 t80 -39.76 -49.84 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.33 -50.48 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.55 -54.07 10.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.668 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.96 -36.37 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.18 -46.19 86.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -53.58 -15.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 1.0 110.168 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.9 -74.52 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.468 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.32 -56.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.006 0.816 . . . . 1.0 111.948 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.9 m-85 -75.44 -64.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.944 0.402 . . . . 1.0 110.952 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.1 mmtm -47.8 -10.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.483 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.74 -50.25 2.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.891 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.36 -40.81 17.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.836 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.08 -12.73 60.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.626 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -118.32 67.34 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.296 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.536 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 3' ' ' HIS . 7.3 ttpm? -141.17 159.57 41.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.3 t60 -50.68 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.65 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -57.05 -112.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.54 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.636 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.72 -25.75 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.966 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.589 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.31 -70.25 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.308 179.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -45.51 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.383 -0.372 . . . . 1.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -98.15 -36.73 5.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.07 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.18 -44.31 4.32 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.81 -67.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 1.0 110.241 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.6 -14.43 1.0 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.8 tp -100.38 -26.94 13.71 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.251 -0.475 . . . . 1.0 110.239 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.3 t -117.02 -57.17 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.684 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.46 -42.37 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.0 110.052 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -68.76 -33.14 73.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.1 mt -91.34 2.06 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.337 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.2 -62.77 1.35 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -43.65 -41.67 4.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.712 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.76 -21.67 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.768 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.35 -48.21 8.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.413 . . . . 1.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -81.06 -35.31 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.472 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.6 -53.19 36.7 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -45.26 -38.86 5.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.011 0.434 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 24.8 t90 -83.62 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -23.09 -56.79 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.945 0.778 . . . . 1.0 112.163 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.7 m-85 -71.39 -60.69 2.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.592 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -66.12 31.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.087 0.402 . . . . 1.0 112.087 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.06 -53.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.055 -0.35 . . . . 1.0 110.055 179.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD23 ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -86.5 -36.99 18.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 1.0 110.598 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.8 tt0 -86.57 -5.11 59.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.234 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -120.3 76.77 1.2 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.31 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HD3' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.665 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 tttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.365 -0.605 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 32.2 ttpt -91.38 167.15 12.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.639 ' CD2' HG22 ' A' ' 4' ' ' THR . 2.0 t60 -59.52 -125.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t -113.83 -111.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.222 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.676 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.58 -25.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.882 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.599 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -41.85 -66.51 0.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.299 179.359 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -48.77 -11.97 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.6 t -100.86 -38.3 6.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.894 -0.322 . . . . 1.0 110.971 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.29 -45.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.76 -67.07 0.51 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.847 0.356 . . . . 1.0 110.183 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.01 -13.6 0.96 Allowed Glycine 0 CA--C 1.52 0.4 0 N-CA-C 109.31 -1.516 . . . . 1.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.9 tp -101.49 -26.37 13.59 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.308 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 88.9 t -114.44 -55.38 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.661 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.23 -48.59 6.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 1.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.61 -30.84 71.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.595 -0.52 . . . . 1.0 109.595 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -95.01 4.61 53.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.627 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.49 -60.11 1.34 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.395 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.2 t80 -39.46 -49.58 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.731 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.64 -50.9 26.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.519 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.88 -54.24 8.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.643 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -81.01 -37.29 29.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.707 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.15 77.77 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.61 -17.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 1.0 110.171 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.19 -74.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.475 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -21.88 -57.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.033 0.833 . . . . 1.0 112.072 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' TYR . 8.4 m-85 -75.31 -64.98 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.944 0.402 . . . . 1.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.0 mmtt -47.69 -10.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.517 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.15 -50.71 2.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.743 0.306 . . . . 1.0 110.829 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -83.69 -45.39 13.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.79 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -71.7 -15.5 62.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.709 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 8.4 mptt -110.04 -44.72 3.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 2.6 mtmt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.058 -0.973 . . . . 1.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -71.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.537 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.577 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.33 -128.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.5 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t -126.9 -113.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.03 -22.18 5.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.21 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.53 -56.6 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.82 -5.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.954 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -105.99 -38.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.733 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.96 -45.86 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -67.42 0.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.75 0.309 . . . . 1.0 110.319 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.16 -14.68 0.89 Allowed Glycine 0 CA--C 1.519 0.291 0 N-CA-C 109.504 -1.438 . . . . 1.0 109.504 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.9 -26.49 13.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.407 -0.397 . . . . 1.0 110.396 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 9' ' ' ILE . 53.5 t -116.19 -55.72 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.66 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -42.53 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.13 -33.19 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.04 -3.6 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.342 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.34 -62.95 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.8 t80 -43.43 -42.4 4.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.55 -21.19 59.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.88 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.66 -48.14 8.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 1.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.07 -35.22 32.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.27 -52.96 39.44 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -33.59 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 1.0 110.369 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.4 t90 -89.57 -68.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.063 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.97 -53.93 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.854 0.721 . . . . 1.0 112.294 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.7 m-85 -72.28 -67.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.594 -0.442 . . . . 1.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -53.4 1.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -127.31 -37.53 2.03 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.865 179.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -102.61 -40.01 6.83 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 1.0 111.222 -179.736 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -68.32 -23.73 64.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.758 0.313 . . . . 1.0 111.088 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -86.19 5.97 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 1.0 110.77 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.418 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -72.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.475 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.587 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -163.37 -130.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.568 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 6' ' ' TRP . 1.9 t -124.7 -113.4 0.3 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.315 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.638 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.83 -22.77 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.112 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.26 -56.93 3.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.339 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -10.49 1.11 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.88 -38.35 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.46 -46.74 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.68 -66.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.301 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.11 -13.09 0.9 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.452 -1.459 . . . . 1.0 109.452 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.49 -25.56 13.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.361 -0.419 . . . . 1.0 110.457 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 96.2 t -112.22 -53.3 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.76 -47.43 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.2 mt -63.43 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 1.0 109.626 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -96.79 7.67 46.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.404 -0.816 . . . . 1.0 110.161 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 m -142.2 -73.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.461 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.2 t80 -46.19 -49.0 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -72.75 -50.05 26.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.612 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.49 -54.55 7.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -82.11 -35.37 28.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.534 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.28 -44.62 89.34 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.88 -16.89 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 1.0 110.048 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CE2' ' CD2' ' A' ' 28' ' ' TYR . 27.7 t90 -105.96 -75.5 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.339 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.31 -58.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.062 0.851 . . . . 1.0 112.053 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.2 m-85 -72.87 -63.18 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.927 0.394 . . . . 1.0 110.834 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.4 mmtm -51.14 -6.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.716 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.18 -41.73 2.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.596 0.236 . . . . 1.0 111.137 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -95.4 -42.93 8.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.86 0.362 . . . . 1.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -73.29 -20.55 60.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.661 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' LYS . 10.7 mptt -106.44 -44.88 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 31' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.553 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' LYS . 6.8 mtpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 31.0 ttpt -43.91 167.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.648 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -59.0 -123.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.665 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.648 HG22 ' CD2' ' A' ' 3' ' ' HIS . 2.4 t -114.88 -114.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.325 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.69 -24.76 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.089 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -57.22 3.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.72 0.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.014 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -112.93 -35.31 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.462 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.54 -44.03 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.59 -66.83 0.61 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.69 -13.52 0.84 Allowed Glycine 0 CA--C 1.519 0.323 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.4 tp -102.4 -26.73 13.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.305 -0.448 . . . . 1.0 110.34 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.2 t -113.58 -54.85 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.12 -47.96 6.22 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.206 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.22 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -94.99 3.99 54.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.617 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.28 -59.54 1.47 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -40.35 -45.42 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.644 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -74.08 -56.26 5.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.436 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.63 -56.49 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.353 . . . . 1.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -75.29 -46.52 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.246 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -46.42 -56.77 6.94 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.838 0.352 . . . . 1.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.2 t90 -54.43 -66.96 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.33 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.3 mt -23.46 -67.73 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.887 0.742 . . . . 1.0 112.256 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.612 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.0 m-85 -63.34 -59.98 3.98 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 5.3 mptt -60.09 21.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.308 0.484 . . . . 1.0 112.308 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -146.84 -47.48 0.18 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.967 -0.382 . . . . 1.0 109.967 179.138 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.54 -33.68 15.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 1.0 110.776 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.0 tt0 -86.88 -5.57 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -112.49 14.13 20.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.672 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.522 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.69 26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 1.0 110.479 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.633 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.8 t60 48.63 -122.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.645 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.743 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.4 t -117.86 -118.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.149 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.622 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -105.96 -23.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.928 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.743 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.2 -57.13 3.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.53 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.15 1.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.017 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -113.27 -34.69 2.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.466 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.01 -43.96 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.63 -66.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.176 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.83 -14.54 1.11 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.347 -1.501 . . . . 1.0 109.347 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 tp -100.83 -27.61 13.24 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.249 -0.475 . . . . 1.0 110.215 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.3 t -117.54 -58.03 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.646 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.66 5.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.012 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.2 tp -69.1 -32.64 72.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -92.9 5.11 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.109 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -125.33 -62.56 1.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.7 t80 -44.04 -40.93 5.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.644 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.74 -21.66 57.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.792 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -86.5 -48.2 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.521 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.4 -35.91 34.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.35 -53.88 33.17 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -44.27 -40.04 4.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.825 0.345 . . . . 1.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.614 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.0 t90 -81.61 -71.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.8 mt -20.8 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.08 0.862 . . . . 1.0 112.171 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.0 m-85 -73.38 -61.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.645 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 12.7 mttp -66.57 32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.862 -0.335 . . . . 1.0 111.81 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -154.45 -45.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.013 0.435 . . . . 1.0 109.837 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -94.87 -30.91 13.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 5.7 tt0 -94.73 -6.69 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.526 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HZ3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -115.23 15.96 16.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.629 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.584 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 tttm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -82.34 115.42 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.613 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.4 t60 40.86 -127.52 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.523 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t -121.47 -112.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.32 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -117.88 -23.66 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.21 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.626 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.73 -61.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.591 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.56 -3.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.075 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.473 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -108.05 -35.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.529 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.12 -44.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.562 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.89 -66.87 0.55 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.837 0.351 . . . . 1.0 110.244 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.75 -13.64 0.88 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.413 -1.475 . . . . 1.0 109.413 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.03 -27.03 13.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.384 -0.408 . . . . 1.0 110.228 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 62.4 t -114.2 -55.77 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.95 -47.91 5.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.088 -0.338 . . . . 1.0 110.088 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.48 -31.09 72.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -95.04 4.37 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.585 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.52 -59.92 1.43 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.416 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.2 t80 -40.08 -44.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.62 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -73.88 -58.07 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.61 -56.73 2.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.724 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -74.3 -49.36 23.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -44.06 -57.7 4.7 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -67.57 0.22 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.343 . . . . 1.0 110.415 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.621 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 23.2 t90 -55.74 -66.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.52 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -21.57 -64.52 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.962 0.789 . . . . 1.0 112.311 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.6 m-85 -68.96 -57.34 5.61 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 3.3 mptp? -62.5 21.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 1.0 112.064 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.621 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -145.94 -50.62 0.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -84.12 -39.41 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.566 179.842 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -85.1 -4.99 59.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.237 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.51 80.29 1.6 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.48 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.026 -0.987 . . . . 1.0 110.598 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.2 tttm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.552 ' CG ' ' H ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -97.88 -142.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.593 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.623 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -99.32 -90.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.421 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 6' ' ' TRP . 6.5 t -151.61 -123.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.202 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.669 ' N ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -104.19 -24.45 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.048 179.651 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.763 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.46 -64.1 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 1.0 110.512 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.11 -8.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.058 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.63 -37.39 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.87 -45.25 5.05 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.25 -67.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.339 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.55 -14.39 0.98 Allowed Glycine 0 CA--C 1.52 0.35 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -101.77 -26.32 13.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.283 -0.458 . . . . 1.0 110.383 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.1 t -116.14 -56.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.689 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -42.33 4.72 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.2 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.84 -32.51 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.2 mt -91.63 -0.47 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.214 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.51 -62.08 1.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.324 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.41 -41.05 8.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.65 -17.07 60.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.825 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.81 -48.79 6.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.179 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.17 -44.7 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.649 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.13 -47.48 67.08 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.96 -1.256 . . . . 1.0 109.96 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -70.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 1.0 110.126 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t90 -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.403 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.8 mt -24.06 -69.72 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.887 0.742 . . . . 1.0 111.945 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 12.5 m-85 -65.46 -50.88 63.7 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.264 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.12 23.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.818 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -149.17 -47.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.54 -36.63 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.811 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.7 tt0 -87.04 -4.47 59.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -115.88 14.59 16.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.781 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.517 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.0 tttp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -82.15 26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 1.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.2 t60 47.21 -176.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.858 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 6' ' ' TRP . 4.0 t -59.78 -118.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.747 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -107.49 -21.36 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.156 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.744 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.4 -60.32 1.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.42 -8.61 0.36 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.743 -0.383 . . . . 1.0 111.096 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -102.32 -37.4 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.53 -45.45 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.776 0.322 . . . . 1.0 110.251 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.13 -14.11 0.78 Allowed Glycine 0 CA--C 1.518 0.237 0 N-CA-C 109.568 -1.413 . . . . 1.0 109.568 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.95 -26.78 13.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.324 -0.438 . . . . 1.0 110.28 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 65.6 t -114.48 -55.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.17 -48.83 6.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.61 -31.04 72.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.3 mt -95.33 5.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.95 -59.74 1.32 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.348 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 t80 -39.87 -50.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -70.91 -50.6 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.56 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.12 -54.39 8.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -81.11 -36.39 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.617 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.16 -46.35 85.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.67 -15.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 1.0 110.156 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.1 t90 -107.89 -74.77 0.65 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -22.24 -57.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.094 0.871 . . . . 1.0 111.945 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.29 -63.85 1.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.956 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 38.0 mmtm -49.09 -8.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.519 -179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -118.21 -48.49 2.53 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.748 0.309 . . . . 1.0 110.977 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -87.44 -33.98 18.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.239 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.0 tt0 -86.5 -9.83 55.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.869 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -113.83 18.51 17.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.434 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 mttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -143.18 -75.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.603 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.658 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.0 t60 -172.14 -172.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.502 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.658 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.5 t -67.33 -109.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.591 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.657 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -119.2 -24.4 3.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.14 -64.91 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.95 0.405 . . . . 1.0 110.314 179.562 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -49.65 -13.71 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -98.44 -38.27 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.0 -46.07 5.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.0 -67.19 0.49 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.802 0.334 . . . . 1.0 110.276 179.408 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.53 -13.98 0.88 Allowed Glycine 0 C--N 1.331 0.268 0 N-CA-C 109.519 -1.433 . . . . 1.0 109.519 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.8 tp -101.94 -25.9 13.61 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.368 -0.416 . . . . 1.0 110.422 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.6 t -110.82 -53.83 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.688 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -49.51 6.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 65.7 mt -61.6 -31.57 71.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.232 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.39 7.98 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.361 179.602 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.5 m -142.52 -73.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.4 t80 -46.07 -52.01 12.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.414 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.88 -49.71 49.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.53 -55.34 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.566 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -82.14 -35.55 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.61 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.61 82.24 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.684 -0.966 . . . . 1.0 110.684 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.35 -18.09 3.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.391 . . . . 1.0 110.085 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -104.3 -75.14 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.398 179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.13 -59.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.044 0.84 . . . . 1.0 112.085 -179.45 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.4 m-85 -71.53 -63.69 1.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.973 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.6 mmtt -51.6 -6.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.79 -179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -119.94 -35.83 3.41 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.325 -179.834 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -103.72 -40.43 6.28 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.098 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 1.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -100.08 -45.88 5.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.062 -0.97 . . . . 1.0 110.439 -179.686 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 tptp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' CB ' ' HZ3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -87.77 107.93 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.521 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.523 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 40.72 -124.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.519 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.8 t -126.81 -111.41 0.29 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.383 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.674 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -115.77 -23.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.151 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.07 -61.12 1.39 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 1.0 110.471 179.531 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.26 -8.83 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.067 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.1 t -103.39 -37.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.84 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.38 -45.73 5.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.746 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.12 -66.99 0.53 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.732 0.301 . . . . 1.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.96 -13.44 0.9 Allowed Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.425 -1.47 . . . . 1.0 109.425 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -102.41 -26.32 13.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.415 -0.393 . . . . 1.0 110.38 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 67.2 t -114.84 -55.15 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.674 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -47.48 5.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 1.0 110.083 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.31 -31.99 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.8 mt -92.57 1.03 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.6 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.14 -61.87 1.5 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.341 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.8 t80 -40.29 -52.08 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -69.05 -51.4 39.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.744 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.41 -54.61 7.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.46 -36.09 29.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.66 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.74 -45.77 84.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.3 -17.92 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.916 0.388 . . . . 1.0 110.071 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.4 t90 -104.45 -75.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.97 -59.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.948 0.78 . . . . 1.0 112.153 -179.626 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.5 m-85 -71.46 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.575 -0.45 . . . . 1.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.7 mmtt -52.29 -5.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.792 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -121.36 -35.54 3.25 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.313 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -104.07 -40.16 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.748 -0.381 . . . . 1.0 111.08 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -70.05 -23.97 63.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.876 0.369 . . . . 1.0 110.576 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -99.76 -45.72 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.934 -1.032 . . . . 1.0 110.473 -179.708 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' CG ' ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' NZ ' ' CB ' ' A' ' 2' ' ' LYS . 5.2 ttpm? -56.71 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.612 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.08 -125.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.695 HG23 ' H ' ' A' ' 6' ' ' TRP . 3.0 t -118.56 -117.01 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.351 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.61 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.48 -22.03 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.695 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.85 -58.55 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.995 0.426 . . . . 1.0 110.567 179.637 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.35 -6.32 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.066 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -105.51 -36.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.704 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.44 -45.63 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.758 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.43 -66.91 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.839 0.352 . . . . 1.0 110.369 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.85 -13.41 0.86 Allowed Glycine 0 CA--C 1.519 0.338 0 N-CA-C 109.553 -1.419 . . . . 1.0 109.553 179.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.4 tp -102.79 -26.4 13.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.238 -0.481 . . . . 1.0 110.403 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.2 t -114.84 -55.05 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.46 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 1.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.49 -31.49 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -93.41 2.33 56.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.78 -61.48 1.44 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.369 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 6.1 t80 -40.71 -50.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.569 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -71.08 -50.63 31.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.687 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.64 -53.9 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -82.61 -35.17 27.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.59 -47.06 87.23 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -52.31 -16.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.6 t90 -106.26 -74.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.424 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -23.32 -58.75 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.087 0.867 . . . . 1.0 111.965 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.1 m-85 -72.63 -65.94 0.72 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.959 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 31.3 mmtt -46.78 -10.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.653 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.65 -42.12 3.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.927 179.526 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.33 -41.15 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.519 -179.354 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.7 tt0 -64.83 -17.21 64.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.484 -0.326 . . . . 1.0 111.355 -179.384 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 2.95 56.34 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.869 -0.333 . . . . 1.0 110.651 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.453 179.918 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 tptt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -174.19 -78.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.661 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.0 t60 -171.95 -172.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.518 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -66.99 -108.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.665 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.05 -24.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.081 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.49 -66.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 1.0 110.237 179.409 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -47.79 -14.68 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.8 t -97.9 -38.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.84 -46.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.878 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.99 -67.02 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.96 -0.296 . . . . 1.0 110.414 179.417 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.84 -13.4 0.86 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.451 -1.46 . . . . 1.0 109.451 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -102.66 -25.79 13.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.327 -0.436 . . . . 1.0 110.378 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . 79.8 t -111.5 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.695 179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -49.95 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.749 -0.38 . . . . 1.0 110.059 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.8 mt -61.03 -31.36 71.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.246 0.546 . . . . 1.0 109.629 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.2 mt -95.96 7.34 46.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 m -142.93 -74.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.425 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.8 t80 -44.28 -46.6 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.492 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -76.68 -25.98 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.62 49.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.602 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.8 -31.09 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -58.89 -44.69 95.88 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -51.48 -17.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.961 0.41 . . . . 1.0 110.222 -179.929 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.8 t90 -107.63 -70.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.547 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -25.33 -59.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.91 0.756 . . . . 1.0 111.752 -179.393 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.3 m-85 -73.8 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.35 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 37.5 mmtm -54.31 -3.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.57 -179.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -123.45 -49.08 1.92 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.689 0.28 . . . . 1.0 110.529 179.415 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.5 tt -82.58 -43.98 16.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.815 0.34 . . . . 1.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.41 -7.88 58.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.81 -179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 6.4 mptt -117.79 -45.44 2.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.474 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 pttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -154.18 126.35 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.728 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.2 t60 -40.07 -68.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.594 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.728 HG22 ' CD2' ' A' ' 3' ' ' HIS . 5.2 t -166.43 -128.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.088 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.542 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -92.84 -31.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.175 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.625 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.65 -70.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.648 179.711 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -46.7 -12.07 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.0 t -100.78 -37.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.12 -44.78 4.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 179.65 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.93 -67.7 0.47 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.255 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.62 -13.81 0.88 Allowed Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.376 -1.49 . . . . 1.0 109.376 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.7 tp -102.01 -26.09 13.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.284 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 61.1 t -115.14 -55.94 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.723 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.01 -47.79 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.786 -0.366 . . . . 1.0 110.084 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.78 -31.19 72.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.72 5.31 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.443 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.29 -60.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.475 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.3 t80 -40.07 -50.54 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -68.11 -56.97 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.18 -55.41 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.6 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -77.41 -40.95 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.781 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -53.44 -51.2 49.27 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -46.98 -19.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 1.0 110.323 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.2 t90 -105.35 -71.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.423 179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -24.48 -59.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.078 0.861 . . . . 1.0 112.094 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.9 m-85 -72.97 -59.18 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.322 -179.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 19.7 mmtt -52.93 -4.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.752 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -122.18 -46.64 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.606 0.241 . . . . 1.0 110.943 179.823 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.4 tt -87.46 -39.09 15.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 1.0 111.047 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 30' ' ' GLN . 6.1 tt0 -82.75 -6.18 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.58 16.39 15.5 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.038 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.546 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.7 tttp . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.42 132.6 26.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.532 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 41.19 -126.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.584 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -127.51 -113.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.308 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.19 -22.64 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.16 179.758 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.634 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.6 -56.93 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.495 179.623 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.78 -5.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.031 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.92 -37.56 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.676 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.55 -45.51 5.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 179.732 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -67.09 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.102 179.307 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.79 -13.54 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.392 -1.483 . . . . 1.0 109.392 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.45 -26.88 13.42 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.251 -0.474 . . . . 1.0 110.366 179.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 16' ' ' LEU . 90.3 t -110.39 -52.71 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.47 -53.52 5.41 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.562 -0.455 . . . . 1.0 109.863 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.07 -29.73 65.65 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 179.299 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.2 mt -99.38 12.5 36.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.5 m -135.21 -22.27 1.56 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.36 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ALA . 4.1 t80 -78.31 -48.04 16.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 1.0 110.567 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -82.1 -49.69 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.27 -43.89 3.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 24.3 m-85 -92.92 -39.21 11.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.425 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.14 -43.84 63.33 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -54.87 -18.32 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 1.0 110.222 179.878 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.0 t90 -105.11 -75.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.387 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -21.84 -58.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.048 0.843 . . . . 1.0 112.155 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.7 m-85 -74.3 -65.43 0.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mmtt -46.5 -13.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.531 -179.189 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.88 -50.19 2.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.0 111.082 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' CD1' ' HZ1' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -83.8 -46.29 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.878 -179.235 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -70.77 -4.21 22.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 11.33 16.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HZ1' ' CD1' ' A' ' 29' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.608 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 3' ' ' HIS . 10.2 tptm -160.71 121.87 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.7 ' CD2' HG22 ' A' ' 4' ' ' THR . 2.3 t60 -40.08 -94.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.539 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.7 HG22 ' CD2' ' A' ' 3' ' ' HIS . 3.1 t -145.49 -118.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.842 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.66 -26.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.303 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.56 -56.8 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.307 179.489 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.01 1.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.04 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -115.33 -34.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.91 -43.13 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.511 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 14' ' ' ALA . . . -74.3 -67.05 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.936 -0.394 . . . . 1.0 109.936 179.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.741 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -50.03 -13.93 0.71 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.428 -1.469 . . . . 1.0 109.428 179.01 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.1 tp -101.56 -27.12 13.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.44 -0.38 . . . . 1.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 9' ' ' ILE . 99.5 t -110.21 -53.28 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.79 -47.0 7.98 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.3 mt -64.29 -30.31 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.301 0.572 . . . . 1.0 109.639 179.327 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -98.55 10.19 41.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.371 -0.831 . . . . 1.0 110.17 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.7 m -143.66 -70.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.385 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.8 t80 -50.57 -44.29 56.69 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -80.72 -47.17 14.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.376 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.22 -55.12 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.923 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -85.55 -34.45 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.42 76.59 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.762 -0.935 . . . . 1.0 110.762 179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 1.0 110.235 179.85 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -106.01 -74.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.434 179.586 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -21.86 -57.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.986 0.804 . . . . 1.0 112.017 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.5 m-85 -75.22 -64.98 0.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.732 -0.387 . . . . 1.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -47.49 -10.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.581 -179.228 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.63 -50.53 2.62 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.788 0.327 . . . . 1.0 110.937 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -84.28 -40.36 18.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.859 -179.346 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.9 tt0 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.604 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -118.27 67.58 0.77 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.303 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.487 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.54 -0.541 . . . . 1.0 109.54 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.12 132.57 9.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.559 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.575 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 40.82 -127.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.607 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -125.51 -113.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.461 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.645 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.73 -22.87 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.224 179.76 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.62 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.84 -57.89 3.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.407 . . . . 1.0 110.571 179.556 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.01 -5.84 0.5 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.983 -179.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.3 t -106.44 -36.93 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.747 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.48 -45.73 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.626 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.59 -67.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.755 0.312 . . . . 1.0 110.363 179.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.65 -13.67 0.86 Allowed Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.436 -1.466 . . . . 1.0 109.436 179.176 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.1 tp -102.9 -26.24 13.19 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.354 -0.423 . . . . 1.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' ILE . 60.5 t -116.68 -55.55 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.472 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.35 -43.43 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 1.0 110.099 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.4 -33.19 74.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.678 -0.49 . . . . 1.0 109.678 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 17.8 mt -89.11 -3.98 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.34 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -116.41 -64.46 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.32 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -42.23 -48.26 4.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -72.47 -20.43 61.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -82.8 -47.95 11.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -34.18 24.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.062 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -58.58 -47.08 92.01 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.734 -0.946 . . . . 1.0 110.734 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -18.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.035 -0.266 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -107.86 -67.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.0 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -26.34 -53.8 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.967 0.792 . . . . 1.0 111.641 -179.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.4 m-85 -74.34 -65.71 0.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 1.0 111.608 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.0 mptp? -46.61 -11.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.618 -0.719 . . . . 1.0 111.54 -178.636 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -116.93 -49.72 2.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.747 0.308 . . . . 1.0 110.896 -179.833 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.9 -45.35 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.858 -179.532 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.54 -20.23 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -104.61 18.1 22.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.593 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.069 -0.967 . . . . 1.0 110.678 179.949 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.4 tttt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -66.49 -17.93 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 56.64 -126.39 1.92 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.766 179.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t -114.09 -113.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.378 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.689 ' H ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -103.14 -24.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.845 179.589 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.65 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.88 -57.29 3.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.677 179.54 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 1.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.7 t -114.02 -35.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.461 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -115.55 -43.72 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.461 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -72.7 -67.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 1.0 110.233 179.178 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.37 -14.37 0.91 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.472 -1.451 . . . . 1.0 109.472 178.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.0 -27.02 13.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.265 179.521 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 9' ' ' ILE . 58.8 t -114.31 -56.15 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.768 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.02 -42.78 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.325 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.94 -32.82 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -92.06 2.36 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.253 179.477 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.09 -62.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.299 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.3 t80 -45.67 -41.05 9.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.92 60.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.838 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.06 -48.91 6.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.409 . . . . 1.0 110.099 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -77.04 -44.5 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.588 179.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -54.34 -48.24 65.19 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.926 -1.269 . . . . 1.0 109.926 179.249 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -70.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 1.0 110.088 179.576 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.3 t90 -53.15 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.432 179.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.6 mt -24.12 -69.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.936 0.772 . . . . 1.0 111.999 -179.582 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' C ' ' H ' ' A' ' 28' ' ' TYR . 13.0 m-85 -66.14 -51.63 56.09 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.524 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -64.0 14.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.026 0.38 . . . . 1.0 112.026 -179.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -140.09 -46.48 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.671 0.272 . . . . 1.0 110.284 179.068 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.1 -42.8 12.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 1.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.8 tt0 -80.49 -5.68 57.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.534 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -116.01 15.39 16.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.617 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.606 179.96 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 101.7 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.642 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 39.78 -124.15 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.715 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.3 t -117.18 -113.7 0.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.241 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.75 -23.56 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.102 179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.58 -63.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.909 0.385 . . . . 1.0 110.352 179.565 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.05 -9.09 0.08 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.139 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.9 t -103.08 -37.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.801 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.84 -45.48 5.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 179.708 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.72 -67.74 0.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.742 0.306 . . . . 1.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.51 -14.1 0.9 Allowed Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.437 -1.465 . . . . 1.0 109.437 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.7 tp -101.57 -26.34 13.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.343 -0.428 . . . . 1.0 110.18 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 57.8 t -116.1 -56.23 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.705 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.37 -42.35 4.58 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.215 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.95 -32.5 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 mt -91.41 -0.71 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.345 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -119.13 -62.1 1.56 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.288 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.0 t80 -45.61 -40.94 9.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.62 -16.9 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.855 -179.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.21 -48.67 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 1.0 110.153 179.711 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -45.76 25.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 1.0 109.593 179.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.98 -47.98 58.92 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 109.885 -1.286 . . . . 1.0 109.885 179.162 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 1.0 110.193 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.3 t90 -52.91 -67.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.342 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.9 mt -24.88 -69.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.976 0.797 . . . . 1.0 112.022 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' TYR . 14.4 m-85 -66.33 -47.95 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.441 -0.504 . . . . 1.0 111.401 -179.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -69.13 25.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.701 -0.399 . . . . 1.0 111.631 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.597 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -151.77 -46.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.18 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -45.88 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.513 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -75.52 -4.09 37.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 1.0 109.803 179.549 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OXT' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.04 -52.36 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.071 179.575 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' OXT' ' O ' ' A' ' 31' ' ' LYS . 1.3 mtmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.873 -1.06 . . . . 1.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 tttp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -56.33 -36.36 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.603 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -167.67 -127.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.541 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.7 t -119.65 -115.96 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.284 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.621 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -110.88 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.105 179.701 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.681 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.13 -58.14 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.431 . . . . 1.0 110.41 179.58 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.12 -7.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.045 -179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -105.02 -37.68 4.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.59 -45.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.705 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.36 -66.69 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.302 179.41 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.42 -13.05 1.08 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 109.383 -1.487 . . . . 1.0 109.383 179.079 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -102.87 -26.03 13.27 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.313 -0.443 . . . . 1.0 110.327 179.56 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.6 t -116.43 -55.57 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.667 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.6 -41.92 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.06 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -69.03 -32.81 72.59 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.464 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.3 mt -90.8 -1.28 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.288 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -118.86 -62.67 1.49 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.6 t80 -44.79 -41.08 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.828 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -17.92 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.813 -179.56 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -90.56 -48.06 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.819 0.343 . . . . 1.0 110.288 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -79.3 -45.5 19.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.683 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.91 -48.62 51.06 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 109.825 -1.31 . . . . 1.0 109.825 178.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.98 -68.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 1.0 110.018 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 29.5 t90 -54.74 -68.98 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.487 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 24' ' ' TRP . 3.6 mt -22.63 -65.49 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.997 0.811 . . . . 1.0 112.025 -179.548 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.8 m-85 -70.04 -51.54 31.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.367 -0.533 . . . . 1.0 111.042 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -67.54 31.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.386 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -160.03 -44.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 179.281 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.23 -35.46 14.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -87.81 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 1.0 110.073 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 7.25 22.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.645 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.642 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 -36.26 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -165.77 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.534 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -118.36 -113.33 0.33 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.303 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.6 -22.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.123 179.794 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.641 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.75 -59.2 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.453 179.542 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.97 -4.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.095 -179.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -107.27 -37.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.24 -45.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.634 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.84 -66.92 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.703 0.287 . . . . 1.0 110.257 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.87 -13.4 0.87 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.16 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.5 tp -102.77 -26.54 13.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.318 -0.441 . . . . 1.0 110.325 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 58.1 t -115.18 -54.43 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -46.62 7.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.83 -31.26 72.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.4 mt -93.53 1.21 56.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.635 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -122.31 -60.32 1.57 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.0 t80 -40.32 -46.69 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.542 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -73.89 -52.22 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.08 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.697 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -80.63 -39.59 27.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.254 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -52.22 -44.48 57.65 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.743 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -19.0 2.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.681 0.277 . . . . 1.0 110.537 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.6 t90 -106.57 -66.64 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.682 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.9 mt -26.63 -54.98 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.985 0.803 . . . . 1.0 111.683 -179.432 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 5.8 m-85 -73.27 -66.34 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.487 . . . . 1.0 111.443 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 4.3 mptp? -44.45 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.395 -178.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -114.58 -49.54 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.191 -179.486 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -84.04 -34.36 24.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.901 0.382 . . . . 1.0 111.04 -179.028 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.3 tt0 -86.57 23.15 1.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.287 -179.792 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.92 -42.56 1.39 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.663 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' LYS . 1.5 ptmt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.9 -1.048 . . . . 1.0 110.716 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' LYS . 71.9 tttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER 47.41 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.526 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.8 t60 -119.77 -175.23 2.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -54.37 -107.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.631 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.4 -26.11 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.981 179.669 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -40.85 -69.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.986 0.422 . . . . 1.0 110.194 179.509 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -45.31 -15.33 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.032 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' ILE . 2.6 t -97.61 -38.25 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.947 -179.802 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.48 -45.12 5.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.29 -67.66 0.46 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.716 0.293 . . . . 1.0 110.239 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.44 -13.95 0.85 Allowed Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 179.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.1 -26.71 13.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.247 -0.476 . . . . 1.0 110.26 179.511 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 84.3 t -114.09 -55.43 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.13 -48.59 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.004 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.51 -30.96 72.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.91 4.19 54.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.69 179.731 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -124.89 -59.98 1.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.452 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.6 -49.85 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -70.88 -50.57 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.543 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.75 11.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.687 -179.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.41 -35.34 30.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.63 -47.24 89.83 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -51.76 -18.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.0 109.886 179.886 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.9 t90 -104.08 -76.91 0.58 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.244 179.458 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.4 mt -20.16 -58.84 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.137 0.898 . . . . 1.0 112.006 -179.65 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' TYR . 10.5 m-85 -73.64 -67.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.201 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.0 mmtt -46.92 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.293 -179.147 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -114.72 -36.44 4.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.691 -0.231 . . . . 1.0 111.136 -179.95 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tp -103.89 -35.14 8.26 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.4 tt0 -70.79 -23.88 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.633 0.254 . . . . 1.0 111.546 -179.079 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -95.4 9.82 38.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.062 -0.971 . . . . 1.0 110.617 -179.578 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 pttm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 -38.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.565 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.621 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -166.55 -129.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.469 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.1 t -117.31 -113.19 0.34 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.359 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.66 -23.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.218 179.687 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.632 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.47 -59.7 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.99 0.424 . . . . 1.0 110.494 179.484 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.72 -8.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.013 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.2 t -104.0 -37.64 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.68 -45.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 179.787 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.15 -66.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.306 179.347 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.93 -13.39 0.88 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 109.441 -1.464 . . . . 1.0 109.441 179.11 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.0 tp -102.5 -26.21 13.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.338 -0.431 . . . . 1.0 110.377 179.507 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.6 t -114.85 -55.1 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.707 179.704 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.1 -47.86 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.921 -0.4 . . . . 1.0 109.921 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.14 -31.52 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -93.32 1.77 56.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -121.96 -61.49 1.49 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.313 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.9 t80 -40.38 -51.35 2.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -69.82 -52.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.712 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.46 -54.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.673 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -81.34 -37.4 28.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.733 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -54.52 -46.5 73.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -52.89 -18.61 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 1.0 110.283 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.7 t90 -104.4 -74.07 0.66 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.348 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.28 -60.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.988 0.805 . . . . 1.0 112.212 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 28' ' ' TYR . 9.9 m-85 -71.1 -61.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.419 . . . . 1.0 111.027 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.9 mmtt -52.76 -3.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.63 -179.214 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.501 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.97 -33.1 2.48 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 121.037 -0.265 . . . . 1.0 111.437 -179.761 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -102.14 -29.95 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 1.0 110.863 -179.055 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -89.68 -10.01 47.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -105.81 63.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.345 0.593 . . . . 1.0 110.054 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.083 -0.961 . . . . 1.0 110.364 -179.725 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -70.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.589 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -164.47 -128.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.9 t -125.93 -113.25 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.43 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -113.14 -22.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.622 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.39 -56.82 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.48 179.555 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.84 -5.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.024 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.4 t -106.23 -36.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.742 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.43 -45.78 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 179.665 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.5 -67.01 0.53 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.809 0.338 . . . . 1.0 110.305 179.467 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.89 -13.6 0.92 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.499 -1.44 . . . . 1.0 109.499 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.2 tp -102.67 -26.16 13.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.317 -0.441 . . . . 1.0 110.349 179.499 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.9 t -116.07 -55.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.25 -43.02 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.157 179.815 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.91 -32.82 73.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.439 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.69 -2.69 57.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.285 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.26 -62.77 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.346 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ALA . 12.5 t80 -43.55 -41.65 4.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.811 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -75.4 -22.2 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.861 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.27 -47.8 9.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.81 0.338 . . . . 1.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -82.4 -43.88 16.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.568 -179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.69 92.54 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 7.7 t80 -57.48 -11.1 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.975 0.416 . . . . 1.0 109.98 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.8 t90 -112.21 -76.24 0.6 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.224 179.392 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.47 -57.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.098 0.874 . . . . 1.0 112.05 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.8 m-85 -75.58 -57.5 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.366 -0.533 . . . . 1.0 111.201 -179.879 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -59.22 1.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.402 -178.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.33 -44.6 2.0 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.707 0.289 . . . . 1.0 110.495 179.134 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -93.52 -41.91 9.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.064 -179.733 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.17 -17.37 58.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 67.31 0.68 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.655 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -97.4 -67.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.625 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.694 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -171.39 -157.13 0.12 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.043 -179.623 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.694 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -69.97 -112.67 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.166 179.212 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -127.19 -24.7 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -39.39 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.906 0.384 . . . . 1.0 111.051 179.537 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.666 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 2.9 mm-40 -46.39 -13.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.414 -179.681 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.4 t -97.94 -32.77 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.662 179.518 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.32 -43.82 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 179.406 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.5 -67.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.834 0.349 . . . . 1.0 110.218 179.456 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.39 -13.94 0.83 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 109.398 -1.481 . . . . 1.0 109.398 179.148 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.2 tp -101.6 -27.35 13.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.356 -0.422 . . . . 1.0 110.217 179.558 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 16' ' ' LEU . 63.6 t -115.71 -56.08 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.623 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.33 -47.74 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.25 -31.57 72.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.7 mt -94.4 4.91 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.534 179.71 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.57 -60.43 1.32 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.6 t80 -39.94 -49.15 2.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 179.898 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.89 -50.34 30.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.448 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.4 -54.22 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.754 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -80.76 -37.1 31.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.41 -45.8 82.45 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -54.29 -15.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.207 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.7 t90 -108.21 -73.98 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.554 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.4 mt -22.84 -56.67 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.046 0.841 . . . . 1.0 111.935 -179.556 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.1 m-85 -75.59 -64.24 1.12 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 1.0 110.867 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 36.8 mmtm -47.54 -10.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.648 -179.239 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.94 -50.91 2.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.716 0.293 . . . . 1.0 111.029 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.1 tt -85.31 -44.64 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.922 -179.647 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -71.78 -15.62 62.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.532 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -114.46 86.28 2.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.089 -0.957 . . . . 1.0 110.56 -179.959 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' HZ1' HG22 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -162.78 -34.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.627 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.704 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -170.34 -158.83 0.17 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.105 -179.687 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.704 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -70.43 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.261 179.377 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.534 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -125.3 -24.83 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-O 120.722 0.296 . . . . 1.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -39.34 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.872 0.368 . . . . 1.0 110.919 179.545 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.673 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 75.5 mt-10 -44.99 -15.17 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.3 -179.862 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG22 ' HZ1' ' A' ' 2' ' ' LYS . 22.6 t -96.22 -33.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.785 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -118.04 -44.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.074 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 179.468 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.17 -66.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.779 0.323 . . . . 1.0 110.19 179.448 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.61 -13.61 0.84 Allowed Glycine 0 CA--C 1.517 0.217 0 N-CA-C 109.471 -1.452 . . . . 1.0 109.471 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -102.0 -27.1 13.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.382 -0.409 . . . . 1.0 110.288 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 85.4 t -115.29 -56.06 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.652 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.3 -47.75 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 1.0 110.006 179.707 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.41 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 179.327 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.6 mt -94.64 5.84 50.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.55 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -126.53 -60.36 1.25 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.441 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.5 t80 -39.76 -49.26 2.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -71.84 -50.9 25.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.461 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.35 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -80.95 -37.46 29.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -47.05 75.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.1 -16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.0 110.32 -179.904 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' A' ' 25' ' ' LEU . 27.9 t90 -107.46 -74.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.522 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.5 mt -22.36 -56.42 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.963 0.79 . . . . 1.0 111.921 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.3 m-85 -75.97 -64.31 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.899 0.381 . . . . 1.0 110.817 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 18.4 mmtt -48.11 -10.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.604 -179.114 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.58 -51.07 2.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 121.062 -0.255 . . . . 1.0 110.966 179.867 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.76 -42.78 13.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 1.0 110.952 -179.581 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -74.33 -14.12 60.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.58 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.16 69.71 0.82 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 3' ' ' HIS . 1.5 tmtp? -57.66 121.65 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.622 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.704 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 40.33 -167.07 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.067 179.584 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.704 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t -70.94 -115.47 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.832 -179.673 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.08 -24.42 2.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 120.783 0.325 . . . . 1.0 110.684 -179.704 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.41 -70.68 0.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.81 -0.356 . . . . 1.0 111.052 179.641 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.65 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 3.0 mm-40 -48.87 -11.02 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.661 -0.416 . . . . 1.0 111.502 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -99.16 -34.32 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.538 179.47 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -116.08 -44.85 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.091 0 N-CA-C 109.763 -0.458 . . . . 1.0 109.763 179.385 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -68.8 -66.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.834 0.35 . . . . 1.0 110.237 179.403 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.2 -13.14 0.97 Allowed Glycine 0 CA--C 1.519 0.34 0 N-CA-C 109.442 -1.463 . . . . 1.0 109.442 179.191 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -102.75 -25.95 13.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.33 -0.435 . . . . 1.0 110.35 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ILE . 78.4 t -111.46 -53.45 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.724 179.69 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.34 -48.64 6.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.988 0.423 . . . . 1.0 110.091 179.881 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.6 mt -62.35 -31.18 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.245 0.545 . . . . 1.0 109.607 179.264 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.0 mt -96.45 7.65 45.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.448 -0.797 . . . . 1.0 110.251 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' VAL . 18.7 m -142.55 -73.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.517 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.3 t80 -45.76 -48.44 15.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -73.63 -50.93 18.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.527 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.67 5.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.749 -179.857 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.06 -37.27 26.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.57 -46.48 73.83 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -53.52 -16.49 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.918 0.39 . . . . 1.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.463 ' O ' ' C ' ' A' ' 25' ' ' LEU . 28.1 t90 -107.22 -74.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -22.42 -56.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.991 0.807 . . . . 1.0 111.978 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 28' ' ' TYR . 7.2 m-85 -75.44 -64.51 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.875 0.369 . . . . 1.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 17.9 mmtt -47.91 -10.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.688 -179.084 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -113.66 -51.09 2.81 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 121.011 -0.276 . . . . 1.0 110.981 179.859 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -85.56 -42.67 14.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.826 0.346 . . . . 1.0 110.947 -179.603 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.4 tt0 -74.55 -14.02 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.615 -179.819 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -119.31 69.68 0.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.27 179.81 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.4 pttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.439 -0.578 . . . . 1.0 109.439 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -98.37 -36.68 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.528 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.615 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.0 t60 -169.91 -125.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.8 t -120.43 -116.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.27 179.827 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.612 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -111.37 -22.26 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.279 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.697 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.49 -56.44 4.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.54 179.655 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.87 -6.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.021 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -106.25 -37.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.75 -46.0 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.652 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.64 -67.7 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.697 0.284 . . . . 1.0 110.384 179.516 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -50.17 -14.6 0.88 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 179.241 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.3 tp -101.44 -27.11 13.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.456 -0.372 . . . . 1.0 110.182 179.635 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' THR . 46.8 t -117.9 -57.27 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.629 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.72 -42.08 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.093 179.722 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -69.32 -32.91 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.6 mt -91.61 2.16 56.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.147 179.483 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -122.4 -62.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -45.18 -40.53 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.794 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.68 -17.19 59.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.953 -179.529 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -92.26 -47.4 7.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.823 0.345 . . . . 1.0 110.31 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -81.81 -37.81 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.487 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.49 59.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 24.0 t80 -55.6 -19.02 8.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.109 0.48 . . . . 1.0 109.983 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.461 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 31.9 t90 -99.04 -76.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.57 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.1 mt -22.27 -59.64 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.03 0.831 . . . . 1.0 112.307 -179.507 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.2 m-85 -70.47 -62.98 1.18 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.441 -179.473 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -55.13 0.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -127.43 -34.05 2.29 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.043 -0.263 . . . . 1.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -105.61 -39.25 6.15 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.979 -0.288 . . . . 1.0 111.303 -179.545 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.57 -21.44 63.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.196 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.87 16.46 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.01 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.421 179.617 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -84.95 -84.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.638 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -161.86 -123.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -117.69 -116.95 0.32 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.267 179.827 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.613 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -109.95 -22.88 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.097 179.722 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.688 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.17 -60.93 1.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 1.0 110.432 179.516 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.15 -9.46 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.148 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.2 t -102.94 -37.65 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.799 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.82 -45.94 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 179.812 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.94 -67.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.946 -0.302 . . . . 1.0 110.39 179.468 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.97 -13.46 0.91 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.467 -1.453 . . . . 1.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.8 tp -102.57 -26.74 13.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.378 -0.411 . . . . 1.0 110.226 179.596 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ILE . 60.1 t -115.89 -56.6 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -42.23 -42.42 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.756 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 tp -65.99 -40.12 90.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 178.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 24.0 mt -80.57 -10.38 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.708 179.785 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -109.68 -65.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 14' ' ' ALA . 20.0 t80 -39.22 -41.61 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.9 mp -74.22 -53.63 9.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 1.0 110.33 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.62 -49.36 37.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.678 -179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -81.26 -35.32 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.753 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -60.84 -49.53 77.54 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -48.62 -18.4 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.124 0.488 . . . . 1.0 109.819 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' LEU . 30.4 t90 -104.41 -74.68 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.359 179.693 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.0 mt -23.92 -59.0 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.066 0.854 . . . . 1.0 112.071 -179.577 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' TYR . 7.9 m-85 -70.86 -62.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 23.1 mmtt -53.75 -1.54 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.838 -179.155 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -126.18 -34.5 2.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.173 179.862 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -104.7 -40.85 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 1.0 110.924 -179.834 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 26' ' ' PHE . 4.0 tt0 -67.44 -20.47 65.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.813 -179.734 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 1.73 54.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.737 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.582 179.952 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 5.5 ttpm? -155.36 161.32 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.586 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 4' ' ' THR . 1.9 t60 -41.35 -93.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 6' ' ' TRP . 5.6 t -148.45 -126.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.746 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.599 ' N ' HG23 ' A' ' 4' ' ' THR . 1.1 pt -99.08 -26.92 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.072 179.715 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.739 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.49 -69.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 1.0 110.468 179.497 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -46.63 -12.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.4 t -99.91 -36.57 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.006 -179.846 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.81 -44.55 4.51 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.631 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.83 -68.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.178 179.359 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.96 -14.46 0.78 Allowed Glycine 0 CA--C 1.518 0.267 0 N-CA-C 109.445 -1.462 . . . . 1.0 109.445 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -100.99 -26.56 13.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.287 -0.457 . . . . 1.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' LEU . 60.8 t -117.06 -56.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.635 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.65 -42.28 5.16 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.54 -32.74 72.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 179.369 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mt -91.51 0.18 57.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.247 179.591 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -120.42 -62.55 1.45 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.336 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.1 t80 -43.49 -40.99 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.13 -22.15 55.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.822 -179.629 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -85.49 -47.52 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 1.0 110.504 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -82.52 -43.64 16.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.28 93.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.2 t80 -57.09 -11.66 1.71 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.057 0.456 . . . . 1.0 110.086 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 29.3 t90 -111.06 -75.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.188 179.384 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -22.91 -58.15 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.172 0.92 . . . . 1.0 112.137 -179.716 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -74.98 -55.75 5.45 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.412 -0.515 . . . . 1.0 111.424 -179.75 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -61.16 4.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.351 -178.543 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -128.04 -43.68 1.49 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.729 0.3 . . . . 1.0 110.406 179.123 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -93.35 -37.72 11.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.117 -179.647 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.41 -11.46 54.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.569 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -116.01 77.32 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HD2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.4 mttm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -148.95 92.12 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.563 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 40.66 -125.37 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.673 179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.9 t -118.19 -117.55 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -108.92 -21.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.17 179.72 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.705 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -44.37 -57.17 3.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.973 0.416 . . . . 1.0 110.46 179.627 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -7.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.035 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.5 t -104.94 -37.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.722 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.54 -46.27 5.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.807 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.38 -66.1 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.8 0.333 . . . . 1.0 110.327 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.754 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.53 -12.79 1.09 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.135 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 10' ' ' ALA . 2.0 tp -103.85 -25.71 12.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.348 -0.426 . . . . 1.0 110.531 179.728 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' LEU . 92.8 t -112.15 -53.47 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.61 -48.37 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' GLY . 69.0 mt -62.95 -30.45 71.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 1.0 109.733 179.297 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.68 7.3 46.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.038 179.431 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 13.2 m -142.5 -74.61 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.7 t80 -44.79 -41.48 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -81.78 -13.56 57.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.97 -47.11 8.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -85.35 -38.69 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' TRP . . . -60.43 -47.73 89.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.796 -0.921 . . . . 1.0 110.796 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 9.0 t80 -55.54 -10.56 0.68 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.0 110.074 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -110.82 -75.73 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.206 179.426 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.7 mt -24.86 -58.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.942 0.776 . . . . 1.0 111.902 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' TYR . 11.4 m-85 -73.05 -50.93 20.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.372 -179.51 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -70.16 23.88 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.496 -0.482 . . . . 1.0 111.115 -178.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -146.15 -46.46 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.229 -0.286 . . . . 1.0 110.229 179.03 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.32 -44.07 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.836 -0.345 . . . . 1.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.6 tt0 -75.52 -3.48 34.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.047 0.451 . . . . 1.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.84 -51.29 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.373 179.703 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' LYS . 2.1 ttmt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.931 -1.033 . . . . 1.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.84 -70.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.588 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -162.81 -129.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 5' ' ' ILE . 2.0 t -125.21 -113.17 0.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.446 179.767 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.643 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.86 -23.4 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.038 179.673 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.637 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.65 -57.61 3.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.961 0.41 . . . . 1.0 110.4 179.582 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.9 -9.64 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.122 -179.826 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.6 t -102.83 -37.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.06 -46.56 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 179.827 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.88 -66.11 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.776 0.322 . . . . 1.0 110.371 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.21 -13.11 0.97 Allowed Glycine 0 CA--C 1.519 0.333 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 179.155 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ALA . 1.6 tp -103.39 -25.97 13.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.38 -0.41 . . . . 1.0 110.458 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' LEU . 96.3 t -111.63 -53.33 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.44 -48.35 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 1.0 110.078 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.8 mt -62.82 -31.07 72.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 1.0 109.599 179.407 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.9 mt -96.41 7.42 46.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 1.0 110.286 179.404 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' VAL . 32.6 m -142.37 -73.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.4 t80 -45.1 -50.47 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -69.83 -55.62 9.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.638 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.58 -55.4 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.19 -46.48 17.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.183 179.886 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -43.03 -52.2 5.83 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.327 -1.109 . . . . 1.0 110.327 179.488 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -48.47 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.669 0.271 . . . . 1.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 28.1 t90 -79.3 -61.01 2.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.58 -179.374 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -30.23 -55.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 1.0 112.414 -178.736 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 4.8 m-85 -70.37 -65.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.164 0.507 . . . . 1.0 112.007 -179.03 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 27' ' ' LYS . 11.2 mptt -48.09 -6.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.781 -0.645 . . . . 1.0 112.088 -178.387 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.64 -48.19 2.29 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 121.223 -0.191 . . . . 1.0 110.911 179.63 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -88.16 -34.84 17.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.641 -179.777 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' PHE . 6.0 tt0 -84.03 -9.21 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.679 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -114.22 16.75 17.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.619 -179.997 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.54 -77.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.582 -179.971 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 4' ' ' THR . 4.0 t60 -171.97 -171.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.5 t -77.12 -110.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.654 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -120.48 -24.47 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.019 179.695 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -42.56 -63.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 1.0 110.239 179.427 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.28 -12.26 0.14 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.083 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' TRP . 3.0 t -100.47 -38.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.63 -46.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.941 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.41 -66.54 0.57 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.709 0.29 . . . . 1.0 110.351 179.434 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.26 -13.16 1.01 Allowed Glycine 0 CA--C 1.518 0.254 0 N-CA-C 109.486 -1.445 . . . . 1.0 109.486 179.241 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.7 tp -103.12 -25.7 13.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.294 -0.453 . . . . 1.0 110.386 179.745 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' ILE . 92.7 t -111.98 -53.25 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' PHE . . . -43.72 -48.68 7.98 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.023 179.826 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 11' ' ' GLY . 68.4 mt -62.25 -30.48 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.215 0.531 . . . . 1.0 109.617 179.36 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 mt -96.56 6.15 49.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.241 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.7 m -141.53 -72.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' ALA . 9.7 t80 -45.75 -47.04 15.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -75.0 -50.97 14.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.561 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.24 -54.82 4.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.735 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -81.41 -39.01 25.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -51.77 -42.84 53.54 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.788 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -16.17 1.67 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 1.0 110.69 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.3 t90 -111.1 -64.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.732 -179.811 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.2 mt -28.08 -55.02 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.803 0.689 . . . . 1.0 111.501 -179.488 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 28' ' ' TYR . 6.1 m-85 -73.99 -64.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.228 0.537 . . . . 1.0 111.093 179.737 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 3.8 mptp? -45.65 -12.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.444 -178.547 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -117.86 -49.95 2.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.629 0.252 . . . . 1.0 111.345 -179.768 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -84.78 -25.27 28.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 1.0 111.304 -178.769 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 tt0 -96.47 18.42 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.092 0.472 . . . . 1.0 109.993 179.889 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.04 5.34 5.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.978 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.473 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -153.68 112.95 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.708 ' CG ' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 40.31 -166.92 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.079 179.632 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.708 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t -70.77 -115.58 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 121.063 -0.255 . . . . 1.0 110.824 -179.736 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' OG1' ' A' ' 4' ' ' THR . 1.1 pt -122.49 -23.88 2.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 CA-C-O 120.877 0.37 . . . . 1.0 110.691 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.78 -70.52 0.1 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.995 179.631 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.655 ' N ' ' NE2' ' A' ' 3' ' ' HIS . 3.3 mm-40 -49.68 -8.89 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.435 -179.537 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TRP . 23.6 t -101.38 -33.46 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.541 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -117.11 -43.96 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.04 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.38 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.61 -67.38 0.49 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 1.0 110.225 179.303 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.5 -14.12 0.9 Allowed Glycine 0 CA--C 1.52 0.352 0 N-CA-C 109.297 -1.521 . . . . 1.0 109.297 179.09 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.5 tp -101.28 -26.97 13.44 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.339 -0.43 . . . . 1.0 110.188 179.615 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.0 t -116.2 -56.96 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.649 179.684 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.42 -46.85 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 179.682 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.29 -31.51 72.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.434 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.8 mt -94.42 5.26 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.439 179.632 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -125.88 -60.67 1.28 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.401 179.919 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ALA . 10.4 t80 -40.14 -47.06 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.649 179.903 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -70.76 -55.65 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.44 179.789 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.89 4.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.581 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -75.27 -47.41 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -48.5 -55.68 10.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -34.78 4.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.612 ' CZ2' ' CE2' ' A' ' 28' ' ' TYR . 26.5 t90 -88.41 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.038 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.0 mt -26.52 -55.57 0.07 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.849 0.718 . . . . 1.0 112.154 -179.321 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' A' ' 28' ' ' TYR . 10.5 m-85 -71.42 -58.36 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.507 -179.326 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -66.33 31.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.79 -179.08 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.04 -44.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.041 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -93.29 -39.76 10.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 5.5 tt0 -79.78 -0.75 35.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.446 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 -39.5 4.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.589 -179.909 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.0 tttm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' HIS . 34.9 ttpt -156.18 160.51 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.643 ' CG ' ' H ' ' A' ' 4' ' ' THR . 3.2 t60 -50.78 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.643 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -57.18 -113.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.669 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.618 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -114.7 -25.81 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.982 179.842 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -40.5 -69.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.3 179.422 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -45.46 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.5 t -97.81 -36.53 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.158 -179.75 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -114.34 -44.68 4.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 179.726 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.58 -67.65 0.47 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.738 0.304 . . . . 1.0 110.309 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.43 -14.68 0.99 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 109.435 -1.466 . . . . 1.0 109.435 179.154 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 10' ' ' ALA . 4.2 tp -100.73 -26.57 13.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.2 t -116.97 -57.02 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.61 -41.44 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.161 179.842 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 15' ' ' LEU . 51.2 tp -69.32 -32.78 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.9 mt -90.53 -2.58 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.286 179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.3 m -117.77 -61.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.2 t80 -46.74 -39.29 11.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -77.71 -13.3 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.041 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.1 -46.89 5.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.838 0.351 . . . . 1.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -82.66 -34.2 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 24' ' ' TRP . . . -69.49 -53.25 17.66 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 26.3 t80 -55.45 -11.32 0.81 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.076 0.465 . . . . 1.0 110.126 179.904 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.8 t90 -105.48 -67.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' TRP . 8.3 mt -34.85 -55.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -179.759 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.44 -20.86 60.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.874 -179.064 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.09 32.65 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.726 -179.829 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.8 -53.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.906 179.35 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -81.64 -45.0 16.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 1.0 110.589 -179.558 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -68.8 -18.92 64.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.554 -179.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -103.83 -44.68 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.395 179.656 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.07 -0.967 . . . . 1.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -86.91 141.45 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 4' ' ' THR . 2.6 t60 -81.97 -174.66 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.658 -179.851 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.4 t -55.44 -109.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.668 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.39 -22.93 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.998 179.721 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.595 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -42.76 -64.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.346 179.553 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -52.48 -7.25 0.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' TRP . 2.8 t -103.88 -37.41 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 121.138 -0.225 . . . . 1.0 110.676 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -113.21 -44.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.518 -0.549 . . . . 1.0 109.518 179.688 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.89 -67.81 0.46 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.808 0.337 . . . . 1.0 110.143 179.238 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.22 -14.04 0.79 Allowed Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.087 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.1 tp -101.42 -27.03 13.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.3 -0.45 . . . . 1.0 110.353 179.509 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 16' ' ' LEU . 80.4 t -114.38 -55.74 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.735 179.735 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.16 -48.11 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.06 179.661 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.45 -30.93 71.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' VAL . 14.0 mt -96.04 7.8 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.574 179.603 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -127.97 -59.54 1.18 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ALA . 8.9 t80 -40.08 -46.23 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.633 179.863 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -74.23 -51.06 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.26 -54.03 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.671 -179.864 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -80.12 -42.96 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.861 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -50.57 -50.36 36.57 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -21.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.392 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' CD2' ' A' ' 28' ' ' TYR . 27.4 t90 -102.8 -63.04 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.2 mt -31.05 -51.98 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.637 0.585 . . . . 1.0 111.708 -179.111 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 28' ' ' TYR . 6.4 m-85 -73.54 -62.43 1.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.825 -179.53 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -52.64 -1.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.803 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -124.57 -44.7 1.96 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.171 -0.211 . . . . 1.0 110.789 179.545 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -92.53 -33.67 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.493 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PHE . 5.5 tt0 -85.63 -13.86 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.698 0.285 . . . . 1.0 110.561 179.831 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 32' ' ' LYS . 3.9 mptt -110.11 -46.39 3.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.519 179.692 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 31' ' ' LYS . 6.8 mtmm . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.597 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.1 tttp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -71.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.611 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.9 t60 -163.86 -130.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.1 t -124.56 -114.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.425 179.815 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.06 -22.87 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.086 179.728 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.651 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.97 -56.99 3.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.399 179.568 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.9 -10.8 1.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.97 -179.801 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ILE . 3.8 t -101.55 -38.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -111.56 -46.89 6.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.106 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.889 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.43 -66.47 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.309 179.423 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' LEU . . . -51.14 -13.18 0.94 Allowed Glycine 0 CA--C 1.519 0.29 0 N-CA-C 109.481 -1.448 . . . . 1.0 109.481 179.195 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.5 tp -103.56 -25.24 13.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.367 -0.417 . . . . 1.0 110.514 179.742 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' ILE . 95.4 t -112.22 -53.31 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.678 179.754 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.75 -49.07 8.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.031 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' GLY . 67.1 mt -62.06 -30.39 70.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 109.661 179.284 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.3 mt -96.41 7.22 47.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.154 179.427 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' VAL . 15.1 m -143.05 -74.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.6 t80 -44.23 -40.65 5.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -81.97 -15.35 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -87.09 -46.85 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.502 179.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -85.31 -41.06 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.86 -46.67 92.13 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.835 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.4 t80 -56.88 -12.32 1.9 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.956 0.408 . . . . 1.0 110.05 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' C ' ' A' ' 25' ' ' LEU . 32.5 t90 -109.02 -76.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.136 179.477 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TRP . 5.6 mt -24.32 -59.38 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.029 0.83 . . . . 1.0 112.17 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' A' ' 28' ' ' TYR . 8.7 m-85 -72.31 -55.89 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.131 -0.628 . . . . 1.0 111.172 -179.445 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -62.33 10.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.538 -178.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -136.9 -36.74 0.67 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.669 0.271 . . . . 1.0 110.374 179.097 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.2 tt -101.78 -40.08 7.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.396 -179.377 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.55 -12.43 61.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.842 0.353 . . . . 1.0 110.523 -179.8 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.56 88.04 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.514 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 3' ' ' HIS . 13.1 mtmt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.65 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.573 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.8 t60 -164.45 -128.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 6' ' ' TRP . 2.0 t -126.5 -113.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.357 179.793 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -23.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.049 179.669 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.631 ' H ' HG23 ' A' ' 4' ' ' THR . 0.3 OUTLIER -43.93 -57.5 3.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.465 179.598 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.57 -7.58 0.68 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.069 -179.757 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 6' ' ' TRP . 3.5 t -104.66 -38.23 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.768 179.938 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.02 -46.0 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -70.51 -66.46 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.359 179.504 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -51.05 -13.16 0.88 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.114 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' N ' ' C ' ' A' ' 10' ' ' ALA . 1.2 tp -102.82 -27.08 12.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.31 -0.445 . . . . 1.0 110.493 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' LEU . 99.4 t -111.19 -52.72 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.683 179.742 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -42.83 -46.45 5.26 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.142 -0.318 . . . . 1.0 110.142 179.862 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.75 -32.06 73.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 179.374 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.5 mt -96.7 15.92 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.272 179.296 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 18' ' ' PHE . 1.1 m -136.17 -61.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.618 . . . . 1.0 109.69 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' ALA . 5.5 t80 -45.04 -47.84 11.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.052 179.235 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -80.05 -44.26 20.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.301 179.591 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.3 -55.72 2.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.63 -33.13 17.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 1.0 110.16 179.762 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.38 -44.08 52.4 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.469 -1.052 . . . . 1.0 110.469 179.553 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.59 -19.63 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.058 0.456 . . . . 1.0 110.308 179.809 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.9 t90 -102.4 -76.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.724 179.307 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' TRP . 4.1 mt -22.02 -61.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 124.027 0.829 . . . . 1.0 112.309 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.4 m-85 -71.4 -60.76 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.269 -0.572 . . . . 1.0 111.649 -179.291 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 8.8 mmtp -54.26 -17.48 2.94 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.648 -0.421 . . . . 1.0 111.777 -178.85 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -100.23 -40.34 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.792 179.392 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -95.82 -43.37 7.89 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.502 -0.479 . . . . 1.0 111.052 -179.749 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' PHE . 4.1 tp-100 -50.24 -36.49 31.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 1.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -93.65 -45.18 7.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.773 -179.509 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' OXT' ' O ' ' A' ' 29' ' ' LEU . 15.3 mmtp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.465 ' CG ' ' H ' ' A' ' 3' ' ' HIS . 3.6 pttm -96.7 -108.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.441 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.645 ' CG ' ' H ' ' A' ' 4' ' ' THR . 1.7 t60 -93.82 -130.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 5' ' ' ILE . 1.6 t -112.33 -109.28 0.35 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.33 179.854 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.694 ' H ' HG23 ' A' ' 4' ' ' THR . 1.0 OUTLIER -112.38 -24.94 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.903 179.786 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -41.63 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 1.0 110.36 179.443 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -48.26 -12.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' TRP . 2.7 t -99.86 -37.97 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.198 -179.842 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.78 -44.74 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.07 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 179.658 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -69.97 -67.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.724 0.297 . . . . 1.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.99 -13.63 0.96 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' N ' ' C ' ' A' ' 10' ' ' ALA . 3.5 tp -101.77 -26.52 13.44 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.256 -0.472 . . . . 1.0 110.203 179.514 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' LEU . 59.6 t -117.21 -56.66 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -43.97 -41.45 5.35 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.079 179.835 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.11 -32.6 72.11 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.8 mt -90.91 -2.04 57.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.363 179.451 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.2 m -117.94 -62.24 1.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . 13.6 t80 -45.47 -39.91 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -76.33 -17.88 59.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.017 -179.614 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' THR . . . -91.32 -47.49 7.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.953 0.406 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -77.35 -42.58 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.517 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -64.19 -47.22 87.25 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.896 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 39.6 t80 -56.11 -8.12 0.43 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.827 0.346 . . . . 1.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' LEU . 26.7 t90 -116.13 -73.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.408 179.748 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 6.4 mt -23.59 -51.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.09 0.869 . . . . 1.0 111.932 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' TYR . 5.0 m-85 -73.93 -74.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.948 -179.623 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -45.87 -10.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.937 0.347 . . . . 1.0 111.937 -178.537 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -111.42 -49.64 2.99 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.886 179.722 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -88.47 -42.59 12.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.006 -179.372 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PHE . 2.8 tt0 -74.31 -14.35 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.721 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -118.22 68.68 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.277 179.783 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.931 -1.033 . . . . 1.0 110.483 -179.76 . . . . . . . . 1 1 . 1 stop_ save_