data_1v92_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 1v92 _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.209 0.528 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -17.02 63.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.2 mt-10 -53.3 -36.11 60.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.865 . . . . 0.0 110.067 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 4.7 mpt_? -53.82 -45.62 70.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 110.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.526 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.2 mm-40 -66.31 -55.25 16.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 4.6 t70 -67.28 -49.47 64.16 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.264 -0.898 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -50.58 -60.6 2.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.159 -0.963 . . . . 0.0 110.335 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 1.1 pp -54.13 -38.43 65.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.108 -0.995 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 23.4 mmm-85 -57.61 -44.71 85.66 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.722 -1.236 . . . . 0.0 108.757 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.605 ' O ' HG21 ' A' ' 15' ' ' VAL . 1.6 tt0 -49.11 -41.54 36.22 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.726 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.1 t80 -65.82 -53.24 42.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.651 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 55.9 t -47.62 -23.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -80.61 -31.53 36.62 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 12' ' ' PHE . 13.2 t -82.89 -50.43 15.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.189 0.995 . . . . 0.0 109.98 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.899 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -89.52 -17.72 28.05 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.553 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.651 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 72.76 17.74 78.42 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.899 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -71.13 -170.51 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.187 -1.184 . . . . 0.0 110.669 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.812 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -101.22 144.08 30.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.614 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -32.05 -47.26 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.806 179.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.538 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -80.26 -42.54 22.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.299 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.812 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.87 -51.07 68.85 Favored 'General case' 0 C--N 1.307 -1.248 0 O-C-N 120.315 -1.49 . . . . 0.0 109.574 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.837 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -60.08 -57.57 12.27 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.198 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.2 ttt180 -44.41 -29.76 0.74 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.681 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.03 -64.23 0.91 Allowed 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.384 -0.927 . . . . 0.0 108.91 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.725 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p90 -93.13 -10.72 34.91 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.286 -0.966 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.837 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.24 -53.39 49.81 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.738 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.9 pp20? -73.16 -45.23 57.79 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.638 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.9 t -43.9 -35.59 2.05 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.809 0.814 . . . . 0.0 109.149 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -98.61 5.76 47.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.833 -0.542 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.43 40.01 5.19 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.758 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 1.1 m95 35.36 31.4 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.859 0.838 . . . . 0.0 109.841 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.606 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 5.5 t0 -87.81 153.57 21.23 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.415 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.36 -37.68 12.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 110.858 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -61.37 2.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.93 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.606 ' CG2' ' HB3' ' A' ' 33' ' ' ASP . 5.8 tt -66.06 -59.09 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 0.0 110.802 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.598 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -43.07 -38.91 2.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.635 0.731 . . . . 0.0 109.304 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' HG11 ' A' ' 15' ' ' VAL . 12.8 mt -65.51 -55.17 19.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.545 -0.722 . . . . 0.0 109.806 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.03 5.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.526 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' PHE . 45.2 t -63.01 -61.07 2.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.372 -0.83 . . . . 0.0 109.984 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.725 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.271 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 110.472 179.185 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 6' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.218 0.532 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -67.56 -36.34 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.908 . . . . 0.0 110.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.78 -43.63 81.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.595 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.1 mtp180 -58.1 -40.03 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 110.134 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 5.4 mm100 -70.12 -55.26 9.87 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.9 t70 -68.38 -57.59 5.66 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.848 . . . . 0.0 110.374 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.05 -51.91 7.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.783 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.672 ' CD1' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.61 -55.38 34.04 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.047 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.672 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 9.1 mmm180 -53.02 -40.03 63.59 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.44 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.69 -35.59 31.77 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 176.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.755 ' O ' HG11 ' A' ' 15' ' ' VAL . 4.0 t80 -74.04 -52.16 13.56 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.923 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 ' CB ' ' A' ' 23' ' ' ALA . 45.9 t -58.12 -20.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -82.62 -26.39 32.27 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.755 HG11 ' O ' ' A' ' 12' ' ' PHE . 11.6 p -101.65 -43.85 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 121.395 -0.816 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 1.0 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -84.52 -22.33 30.2 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 70.77 19.53 76.8 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.0 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -77.44 -179.88 6.04 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.653 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -80.07 143.44 34.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.593 -0.692 . . . . 0.0 110.452 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -37.12 -52.93 1.02 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.553 -0.717 . . . . 0.0 110.532 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.62 -32.58 36.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.597 -0.69 . . . . 0.0 112.119 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.685 ' HB3' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -61.69 -60.79 3.14 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.844 -1.16 . . . . 0.0 108.819 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.781 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -54.36 -51.73 63.86 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -48.72 -29.59 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.148 -0.97 . . . . 0.0 109.869 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.52 -61.96 1.71 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.323 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.781 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 10.1 p90 -89.75 -11.65 41.64 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.825 ' CD2' ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.06 -50.8 66.97 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 176.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 21.7 pt-20 -72.45 -46.64 54.06 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.686 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.638 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.8 t -43.73 -35.12 1.72 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.806 0.812 . . . . 0.0 109.07 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.569 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -97.38 6.07 48.83 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.229 0.538 . . . . 0.0 110.821 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 89.7 38.68 6.47 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.86 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.1 m95 35.06 30.19 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.769 0.795 . . . . 0.0 110.116 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.621 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 t70 -99.39 150.54 22.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.647 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.662 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 4.1 mp -83.31 -57.87 3.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 110.917 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -34.77 -52.04 0.51 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.043 . . . . 0.0 110.407 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.621 ' CG2' ' HB3' ' A' ' 33' ' ' ASP . 5.6 tt -76.78 -61.06 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.951 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.603 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -58.28 -52.47 65.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.08 -44.86 79.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.51 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -50.69 -40.96 55.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.764 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -63.03 -58.32 7.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.069 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.705 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.27 0.1 OUTLIER . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.32 -0.863 . . . . 0.0 110.634 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.34 -18.43 58.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.3 mt-10 -63.9 -53.1 55.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 110.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.599 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 15.1 mtp180 -47.4 -47.96 26.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 4.1 mm100 -69.45 -57.29 5.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.431 -0.793 . . . . 0.0 110.446 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.38 -57.96 5.08 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -44.38 -52.9 7.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.199 -0.938 . . . . 0.0 109.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -60.08 -53.41 58.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.749 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 9.8 mmm180 -49.72 -38.41 33.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.518 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 9.1 tp10 -51.36 -41.91 60.96 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.677 ' O ' ' N ' ' A' ' 15' ' ' VAL . 2.4 t80 -65.32 -56.62 11.63 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.75 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 75.8 t -47.1 -26.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -68.93 -36.61 78.18 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 12' ' ' PHE . 6.2 t -87.46 -53.98 8.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.87 0.843 . . . . 0.0 110.686 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.671 ' OG1' ' CE2' ' A' ' 41' ' ' PHE . 3.0 t -80.88 -34.26 33.74 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.387 1.089 . . . . 0.0 109.635 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.75 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.66 15.49 66.53 Favored Glycine 0 C--N 1.284 -2.353 0 N-CA-C 105.399 -3.081 . . . . 0.0 105.399 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' HB2' ' OG1' ' A' ' 16' ' ' THR . . . -54.96 -173.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.57 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.882 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -89.36 138.52 31.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.162 -0.962 . . . . 0.0 108.481 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.1 -47.29 0.1 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.245 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.509 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 27.6 m-20 -82.34 -43.26 17.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.882 -0.511 . . . . 0.0 112.264 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.882 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -56.07 -50.27 71.47 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.434 -1.417 . . . . 0.0 109.576 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.72 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -62.23 -57.7 10.47 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.634 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.19 -24.57 1.19 Allowed 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.482 179.187 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -66.64 -63.68 1.02 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.286 -0.884 . . . . 0.0 108.935 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 27.8 p90 -91.11 -13.82 32.35 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.273 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -63.31 -54.57 34.97 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.729 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -72.88 -44.81 60.87 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.575 0.702 . . . . 0.0 111.05 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.646 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.7 t -43.6 -37.2 2.43 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.885 0.85 . . . . 0.0 109.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -95.93 6.3 49.19 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.3 39.46 6.01 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.764 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER 35.17 30.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.851 0.834 . . . . 0.0 109.816 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.6 t70 -93.47 150.16 20.66 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.527 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -85.16 -53.61 5.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.146 -0.971 . . . . 0.0 110.742 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.544 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.5 mp0 -35.07 -50.34 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.944 -1.097 . . . . 0.0 109.865 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.618 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 5.1 tt -79.86 -61.64 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 0.0 110.726 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.618 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -56.73 -51.91 67.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 109.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.675 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -57.43 -50.28 73.52 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.856 . . . . 0.0 109.522 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.5 -28.4 5.39 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.565 -0.854 . . . . 0.0 109.15 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 37' ' ' ALA . 8.5 t -73.46 -65.33 0.83 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 111.02 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 111.161 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.251 0.548 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.13 -35.17 79.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 0.0 110.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 47.2 mm-40 -55.89 -41.21 74.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.89 . . . . 0.0 110.116 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 32' ' ' TRP . 2.3 mmt-85 -51.06 -38.71 53.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.0 110.142 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.497 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.9 mm-40 -72.35 -62.49 1.42 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.394 -0.816 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.0 t70 -61.68 -45.02 95.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.407 -0.808 . . . . 0.0 110.431 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -53.6 -61.67 2.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -53.41 -37.94 62.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.035 -1.041 . . . . 0.0 109.277 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.542 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 19.1 mmm180 -57.1 -46.94 82.17 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.668 -1.27 . . . . 0.0 108.995 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -47.72 -40.25 19.8 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 26' ' ' PHE . 5.2 t80 -65.91 -52.62 48.35 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.79 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 71.6 t -51.34 -24.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -74.12 -30.57 62.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.704 HG11 ' O ' ' A' ' 12' ' ' PHE . 14.7 p -99.14 -43.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 121.897 0.856 . . . . 0.0 110.801 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.862 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -92.94 -8.72 42.39 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.79 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 45.43 23.24 0.77 Allowed Glycine 0 N--CA 1.486 2.024 0 N-CA-C 108.426 -1.87 . . . . 0.0 108.426 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -63.56 -158.92 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.857 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.917 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -107.41 146.28 31.88 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.647 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.21 -47.22 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.739 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.521 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 20.7 m-20 -85.92 -38.0 18.49 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.917 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.59 -44.97 94.98 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.077 -1.64 . . . . 0.0 108.998 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.732 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -65.37 -59.47 3.99 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.647 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 1.7 ttp85 -49.15 -21.02 0.67 Allowed 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 119.121 -1.031 . . . . 0.0 109.148 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.62 -63.46 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.533 -0.729 . . . . 0.0 109.039 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 12' ' ' PHE . 17.0 p90 -92.36 -13.0 30.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.053 -1.459 . . . . 0.0 109.496 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -59.65 -55.74 30.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.847 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 20.6 pt-20 -72.57 -46.92 52.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.432 0.634 . . . . 0.0 111.186 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.628 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 1.6 t -42.89 -31.97 0.57 Allowed 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.823 0.82 . . . . 0.0 109.132 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.612 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -104.25 5.23 34.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.819 -0.551 . . . . 0.0 110.945 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 94.04 40.09 4.69 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.847 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.9 m95 35.42 31.01 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.939 0.876 . . . . 0.0 109.935 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.586 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 2.3 t70 -90.4 160.78 15.89 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.586 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.686 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.14 -44.6 8.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 110.391 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -52.32 -68.97 0.13 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.28 -0.888 . . . . 0.0 111.333 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 30' ' ' ALA . 4.0 tt -61.14 -58.31 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.509 -0.744 . . . . 0.0 110.856 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.58 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -45.04 -40.68 6.87 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.783 0.801 . . . . 0.0 108.979 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.54 ' CD2' HG21 ' A' ' 15' ' ' VAL . 20.5 mt -63.68 -45.47 89.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' LEU . . . -45.72 -40.71 9.71 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.586 -0.845 . . . . 0.0 108.743 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 37' ' ' ALA . 1.7 m -63.14 -69.93 0.24 Allowed 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.421 -0.799 . . . . 0.0 109.542 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.713 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.268 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.448 0 O-C-N 121.428 -0.795 . . . . 0.0 112.001 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.215 0.531 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -31.43 18.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 0.0 110.22 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 mt-10 -55.29 -37.59 67.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.873 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 30.1 mtp85 -55.44 -41.48 72.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.486 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 3.1 mm100 -69.31 -56.96 6.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.52 -55.14 16.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.386 -0.821 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.96 -56.55 4.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.044 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.674 ' CD1' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.31 -50.95 71.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 108.677 179.208 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.674 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 6.3 mmm180 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.734 -1.228 . . . . 0.0 108.734 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -50.56 -37.96 42.44 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 176.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.743 ' CE2' ' CZ ' ' A' ' 26' ' ' PHE . 2.1 t80 -70.3 -56.11 7.53 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.967 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.792 HG11 ' O ' ' A' ' 18' ' ' ALA . 25.2 t -53.56 -23.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.148 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -78.53 -27.0 45.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 12' ' ' PHE . 12.9 p -104.69 -43.14 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.376 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.812 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -77.1 -19.08 57.47 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.52 20.51 69.9 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -92.75 -171.04 2.61 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.547 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.812 ' CG ' ' HB2' ' A' ' 22' ' ' ARG . 10.8 pm0 -89.1 -174.46 4.45 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.66 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.657 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -70.19 -51.29 32.2 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.633 0.73 . . . . 0.0 110.65 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.79 -40.58 79.57 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.812 ' HB2' ' CG ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -59.1 -54.03 51.68 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.314 -1.491 . . . . 0.0 109.356 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.892 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -61.36 -54.95 37.12 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.286 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.657 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.04 -29.95 1.67 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.968 -1.083 . . . . 0.0 109.76 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -64.71 -64.52 0.85 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.599 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.743 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 14.7 p90 -92.95 -11.75 32.52 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.42 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.892 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -64.24 -55.2 23.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.727 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.6 pp20? -72.31 -45.86 58.18 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.459 0.647 . . . . 0.0 111.078 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.654 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 t -43.67 -36.31 2.13 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.808 0.814 . . . . 0.0 109.25 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.553 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -97.33 6.2 48.69 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.203 0.525 . . . . 0.0 110.945 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.77 40.23 5.34 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.745 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 1.1 m95 35.7 31.19 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 121.905 0.86 . . . . 0.0 110.064 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 31' ' ' GLY . 3.6 t0 -94.84 149.18 21.52 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.504 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.664 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 6.4 mp -84.27 -56.52 3.6 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.233 -0.917 . . . . 0.0 110.929 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.598 ' CG ' ' N ' ' A' ' 36' ' ' ILE . 9.7 pt20 -34.81 -45.97 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.184 -0.947 . . . . 0.0 110.513 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 2.9 tt -79.91 -63.93 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.93 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.63 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -56.64 -49.69 74.25 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.852 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -58.9 -48.24 82.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 0.0 109.858 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' LEU . . . -43.57 -59.98 1.95 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.344 -0.848 . . . . 0.0 109.93 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 m -51.41 -52.29 47.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.743 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.253 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 110.422 179.57 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.249 0.547 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 22.6 pt-20 -42.92 -42.87 3.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.235 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.9 -43.09 81.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.283 -0.885 . . . . 0.0 110.113 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH1' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -54.15 -36.75 63.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.26 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.528 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.5 mm-40 -67.8 -60.77 2.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.38 -0.825 . . . . 0.0 109.586 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -68.13 -30.67 69.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.56 -0.713 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -59.92 -62.18 2.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.058 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.789 ' CB ' HD12 ' A' ' 27' ' ' LEU . 3.9 pp -54.75 -39.44 68.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 23.6 mmm180 -56.22 -37.58 69.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.892 -1.13 . . . . 0.0 109.604 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.598 ' O ' HG11 ' A' ' 15' ' ' VAL . 8.0 tp10 -57.47 -43.78 84.31 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.723 ' CE2' ' CZ ' ' A' ' 26' ' ' PHE . 4.4 t80 -68.11 -55.69 11.54 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.927 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.632 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 73.8 t -49.24 -23.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -79.55 -29.45 41.36 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.667 ' CG2' ' N ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -94.76 -44.1 13.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-O 121.888 0.851 . . . . 0.0 110.724 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.953 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -88.6 -18.24 28.44 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.632 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 66.29 19.68 68.64 Favored Glycine 0 N--CA 1.479 1.507 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.953 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -78.06 -175.36 4.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.787 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.575 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -89.3 148.99 23.25 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.329 0.585 . . . . 0.0 110.652 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -39.95 -51.09 2.52 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.674 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -76.38 -34.62 58.88 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.808 -0.557 . . . . 0.0 111.674 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -58.42 -55.12 39.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.762 -1.212 . . . . 0.0 109.349 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.929 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.99 -55.04 39.81 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 21.4 ttt180 -45.06 -34.74 2.68 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.5 m-85 -66.1 -61.3 2.11 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.541 -0.863 . . . . 0.0 110.012 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 15.0 p90 -89.93 -9.27 49.48 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.879 -1.129 . . . . 0.0 110.61 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.929 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -64.13 -56.86 11.84 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.656 ' HG3' ' N ' ' A' ' 29' ' ' SER . 23.1 pt-20 -62.82 -46.46 87.82 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.105 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.656 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.4 t -45.11 -34.17 2.51 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.694 0.759 . . . . 0.0 109.5 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -106.81 3.52 26.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.605 -0.684 . . . . 0.0 111.306 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 88.13 40.83 6.43 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.805 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 11.5 m95 37.76 27.63 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.82 -0.812 . . . . 0.0 110.705 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.796 ' HB3' HG12 ' A' ' 36' ' ' ILE . 1.2 t70 -94.12 144.72 25.24 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.198 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -77.03 -61.95 1.81 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.231 -0.918 . . . . 0.0 110.855 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -35.07 -36.97 0.06 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.87 -1.143 . . . . 0.0 109.778 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.796 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.1 mm -86.75 -70.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-O 122.264 1.031 . . . . 0.0 109.124 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -48.21 -48.33 35.01 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.991 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.625 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -63.98 -51.92 62.04 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.856 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 35' ' ' GLN . . . -49.52 -37.67 27.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -0.916 . . . . 0.0 109.89 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -63.11 -56.36 17.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.206 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.708 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.268 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.578 0 O-C-N 121.2 -0.937 . . . . 0.0 110.439 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.237 0.541 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.08 -28.37 67.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.221 -0.924 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 25.7 mm-40 -61.16 -50.54 72.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.306 -0.871 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -49.45 -48.7 47.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 4.1 mm100 -69.24 -55.86 9.3 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.461 -0.775 . . . . 0.0 110.567 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.34 -59.4 2.89 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 110.609 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -47.14 -54.4 10.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.721 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 7.2 tt -58.11 -47.5 83.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 108.962 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' GLU . 11.5 mmm180 -54.13 -43.63 70.66 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.811 -1.181 . . . . 0.0 108.804 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.561 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 1.6 tt0 -48.59 -39.8 25.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 177.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.736 ' CE2' ' CE2' ' A' ' 26' ' ' PHE . 7.1 t80 -66.64 -55.33 15.77 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.79 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 88.3 t -48.19 -25.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -68.33 -38.36 81.45 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG11 ' O ' ' A' ' 12' ' ' PHE . 7.5 p -88.78 -49.48 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.916 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.64 ' OG1' ' CZ ' ' A' ' 41' ' ' PHE . 1.8 t -83.12 -34.22 26.13 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.516 1.151 . . . . 0.0 109.181 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.79 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.63 16.68 68.05 Favored Glycine 0 C--N 1.282 -2.42 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' HB1' ' CB ' ' A' ' 23' ' ' ALA . . . -57.33 -175.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.805 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.888 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -91.4 141.94 28.21 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.26 -47.8 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.2 -1.0 . . . . 0.0 108.924 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.518 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 7.1 m-20 -80.01 -45.88 17.59 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.91 -0.494 . . . . 0.0 111.637 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.888 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -59.35 -44.13 92.72 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.577 -1.327 . . . . 0.0 109.401 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.676 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -63.86 -56.82 12.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.621 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 1.2 ttm180 -49.76 -23.11 1.65 Allowed 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.124 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.35 -62.82 1.27 Allowed 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.76 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 20.5 p90 -92.06 -13.49 30.79 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.168 -1.413 . . . . 0.0 110.04 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD21 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -62.64 -57.15 12.06 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.753 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -70.98 -45.11 64.61 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.398 0.618 . . . . 0.0 111.326 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.661 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 3.0 t -43.77 -37.86 2.93 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.84 0.829 . . . . 0.0 109.107 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.596 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -96.85 6.36 48.81 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.322 0.582 . . . . 0.0 110.669 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.06 42.62 4.94 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.809 ' HA ' HD21 ' A' ' 27' ' ' LEU . 1.2 m95 35.57 31.31 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.982 0.896 . . . . 0.0 109.754 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' ' 36' ' ' ILE . 47.6 t0 -87.37 165.01 15.91 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.663 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.703 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.56 -62.44 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.256 -0.902 . . . . 0.0 110.719 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -33.62 11.07 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.379 -0.826 . . . . 0.0 110.908 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -81.51 -71.02 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 122.204 1.002 . . . . 0.0 109.419 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.682 ' CB ' ' CZ ' ' A' ' 12' ' ' PHE . . . -41.08 -34.89 0.48 Allowed 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.612 ' CD2' ' CG2' ' A' ' 15' ' ' VAL . 13.2 mt -65.92 -51.47 58.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 36' ' ' ILE . . . -43.77 -31.63 0.86 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -71.2 -70.68 0.3 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.57 -0.706 . . . . 0.0 109.828 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.76 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.256 0.1 OUTLIER . . . . . 0 C--N 1.301 -1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 110.791 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.213 0.53 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.52 64.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -63.73 -52.23 61.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -44.03 -47.8 8.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.123 -0.986 . . . . 0.0 110.39 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 2.3 mm100 -70.69 -60.32 2.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.389 -0.819 . . . . 0.0 110.278 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -63.37 -51.42 65.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.408 -0.808 . . . . 0.0 110.325 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -48.62 -63.01 1.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 110.136 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.599 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -56.14 -39.84 72.89 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.023 -1.048 . . . . 0.0 109.39 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 7.4 mmm180 -57.04 -42.59 80.74 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.717 -1.239 . . . . 0.0 108.385 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 1.5 tp10 -49.12 -42.35 38.93 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 13.5 t80 -67.55 -56.96 7.42 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.704 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 53.0 t -47.33 -23.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 118.778 -1.169 . . . . 0.0 107.884 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -77.77 -30.6 51.49 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 12' ' ' PHE . 14.6 p -92.53 -42.64 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 122.092 0.949 . . . . 0.0 110.217 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.954 ' CG2' ' HB2' ' A' ' 18' ' ' ALA 0.251 0.3 OUTLIER -89.41 -18.93 25.83 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.698 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.704 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.78 22.74 60.18 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.954 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -78.19 -173.17 3.1 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.429 -1.309 . . . . 0.0 110.89 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -87.84 145.01 26.28 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.197 0.522 . . . . 0.0 110.395 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -33.29 -51.08 0.33 Allowed 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.678 0.752 . . . . 0.0 109.779 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -74.27 -47.26 36.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.806 -0.559 . . . . 0.0 111.447 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -51.25 -46.38 62.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.846 -1.159 . . . . 0.0 109.326 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.749 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.12 -62.13 1.65 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -46.98 -22.68 0.35 Allowed 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.158 178.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -66.65 -64.44 0.86 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.383 -0.823 . . . . 0.0 108.973 179.347 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -87.97 -15.21 37.12 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.689 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' ' N ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -60.03 -60.87 3.14 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.771 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -69.95 -45.75 66.77 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.403 0.621 . . . . 0.0 111.55 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.621 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.4 t -43.43 -36.14 1.85 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.9 0.857 . . . . 0.0 109.442 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.555 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . . . -101.44 5.33 41.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.773 -0.58 . . . . 0.0 110.813 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 95.48 44.2 3.25 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.804 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.1 m95 36.18 32.28 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.103 0.954 . . . . 0.0 109.87 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.646 ' HB3' HG12 ' A' ' 36' ' ' ILE . 45.2 t0 -89.43 163.84 15.11 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.471 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.672 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -92.92 -62.81 1.31 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.178 -0.951 . . . . 0.0 111.311 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.32 -33.5 9.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.223 -0.923 . . . . 0.0 111.362 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.646 HG12 ' HB3' ' A' ' 33' ' ' ASP . 0.8 OUTLIER -78.26 -71.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-O 122.225 1.012 . . . . 0.0 109.819 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.674 ' CB ' ' CE2' ' A' ' 12' ' ' PHE . . . -49.34 -37.96 26.42 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 12' ' ' PHE . 52.0 mt -59.24 -50.44 74.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.764 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 36' ' ' ILE . . . -47.67 -40.85 21.0 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.331 -0.855 . . . . 0.0 108.742 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 41' ' ' PHE . 1.6 m -55.01 -60.56 3.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.259 -0.9 . . . . 0.0 109.401 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.714 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.264 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 O-C-N 121.475 -0.766 . . . . 0.0 110.899 178.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.279 0.562 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.57 -38.11 9.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.207 -0.933 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 6.1 mm-40 -56.63 -42.6 79.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.211 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 27.3 mtp180 -52.64 -38.85 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -0.892 . . . . 0.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.46 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 6.3 mm100 -68.12 -59.75 3.0 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.412 -0.805 . . . . 0.0 109.737 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ALA . 7.9 t0 -70.22 -58.49 3.72 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.453 -0.779 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.59 -38.63 4.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 110.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.677 ' CD1' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -64.69 -58.78 5.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.256 -0.903 . . . . 0.0 108.841 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 15.6 mmm180 -55.12 -38.9 68.78 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.671 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 11.1 tp10 -53.98 -38.15 64.72 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 26' ' ' PHE . 3.0 t80 -73.04 -52.66 13.53 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.602 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 72.8 t -55.64 -21.99 11.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -79.64 -27.27 40.93 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.712 HG11 ' O ' ' A' ' 12' ' ' PHE . 14.5 p -101.3 -43.68 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.904 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -90.3 -13.68 34.74 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 62.59 18.04 58.27 Favored Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.904 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -73.35 -165.27 0.24 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -1.143 . . . . 0.0 110.501 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.803 ' HG2' ' H ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -105.22 140.11 38.87 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.527 -0.733 . . . . 0.0 109.098 179.406 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.9 -46.18 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.265 -0.974 . . . . 0.0 108.707 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.535 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -78.49 -39.2 38.97 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.201 -179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.803 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.68 -55.01 39.7 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.459 -1.401 . . . . 0.0 109.419 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.932 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.07 -52.46 64.19 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.831 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 1.1 ttm180 -46.5 -35.31 5.56 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.258 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -62.4 1.6 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.637 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 18.5 p90 -89.01 -9.71 50.3 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.061 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.932 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.5 mt -59.75 -63.22 1.38 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.738 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 13.3 pt-20 -62.34 -44.72 95.83 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.246 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.645 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.2 t -41.42 -35.71 0.72 Allowed 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -108.1 3.01 23.42 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.301 0.572 . . . . 0.0 110.571 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.98 47.81 3.52 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.738 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 16.7 m95 34.68 30.9 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.934 0.873 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.671 ' HB3' HG12 ' A' ' 36' ' ' ILE . 17.9 t0 -86.2 156.53 20.27 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.78 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -88.44 -62.44 1.49 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.88 . . . . 0.0 110.439 -179.353 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -50.68 -38.7 48.34 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.191 -0.943 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.671 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.2 mm -74.24 -70.22 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-O 122.391 1.091 . . . . 0.0 109.134 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -44.98 -38.75 4.97 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.892 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 34.4 mt -62.67 -51.53 66.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.529 -0.732 . . . . 0.0 109.502 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' LEU . . . -42.99 -47.0 5.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.371 -0.83 . . . . 0.0 109.548 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -58.12 -62.6 1.7 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.342 -0.849 . . . . 0.0 109.615 179.544 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.286 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 121.856 0.836 . . . . 0.0 110.148 178.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.298 0.571 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -32.85 1.42 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.238 -0.914 . . . . 0.0 110.178 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 22.0 mm-40 -51.32 -30.89 19.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.255 -0.903 . . . . 0.0 110.035 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.621 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.14 -47.37 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.325 -0.859 . . . . 0.0 110.12 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 6' ' ' GLN . 4.1 mm100 -56.35 -48.69 76.28 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.366 -0.834 . . . . 0.0 109.426 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.3 t70 -74.17 -60.91 2.05 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.58 -0.7 . . . . 0.0 110.485 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 11' ' ' GLU . . . -41.66 -42.07 2.41 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.225 -0.922 . . . . 0.0 110.159 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -63.86 -59.64 4.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.235 -0.916 . . . . 0.0 108.743 179.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.583 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 35.7 mmm-85 -51.89 -37.59 52.94 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.776 -1.169 . . . . 0.0 108.455 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.505 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 6.3 tp10 -53.72 -40.94 66.52 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.946 ' CZ ' ' CE1' ' A' ' 26' ' ' PHE . 25.6 t80 -71.12 -56.14 6.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.908 HG11 ' O ' ' A' ' 18' ' ' ALA . 49.0 t -50.72 -21.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 C-N-CA 118.841 -1.144 . . . . 0.0 108.146 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -80.57 -27.4 37.49 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.883 HG11 ' O ' ' A' ' 12' ' ' PHE . 11.3 p -96.79 -43.53 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-O 121.964 0.888 . . . . 0.0 110.503 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.828 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.71 -17.91 39.7 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.09 26.97 64.23 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.908 ' O ' HG11 ' A' ' 13' ' ' VAL . . . -102.37 -165.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.566 -1.254 . . . . 0.0 110.791 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.715 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 1.5 pm0 -83.99 -166.17 1.34 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.789 0.804 . . . . 0.0 109.31 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -81.99 -47.08 13.11 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.782 0.801 . . . . 0.0 109.7 179.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -62.22 -47.64 83.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.872 -0.518 . . . . 0.0 111.383 -178.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.715 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.23 -46.74 75.98 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.944 -1.097 . . . . 0.0 109.411 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.937 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.05 -56.43 7.78 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.057 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.666 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -51.78 -21.39 2.77 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.948 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -68.4 -64.9 0.77 Allowed 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.468 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.946 ' CE1' ' CZ ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -85.24 -14.41 46.82 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.385 -1.326 . . . . 0.0 110.385 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.925 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.46 -63.96 0.99 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.399 177.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.706 ' HG3' ' H ' ' A' ' 29' ' ' SER . 2.6 pp20? -56.77 -47.47 80.06 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.115 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.706 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.2 t -50.38 -34.65 24.93 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.934 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -105.87 3.51 28.68 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.473 -0.767 . . . . 0.0 111.351 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.39 44.13 4.11 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' LEU . 19.4 m95 38.37 27.44 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.813 -0.816 . . . . 0.0 110.612 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.571 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -90.68 137.08 32.64 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.102 178.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -75.17 -53.64 8.48 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.521 -0.737 . . . . 0.0 110.654 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -34.84 -49.11 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 109.936 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.625 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 2.4 tt -79.8 -62.1 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.503 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.625 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -55.35 -50.42 69.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.579 -0.701 . . . . 0.0 109.791 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.691 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.58 -50.34 72.21 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.244 -0.91 . . . . 0.0 109.07 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -51.95 -27.94 14.92 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.91 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -67.8 -63.62 1.02 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.551 -0.718 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.705 ' CZ ' ' HB2' ' A' ' 18' ' ' ALA 0.257 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.465 0 O-C-N 121.382 -0.824 . . . . 0.0 110.844 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.234 0.54 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.39 -32.55 11.75 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.176 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -17.02 63.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.2 mt-10 -53.3 -36.11 60.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.865 . . . . 0.0 110.067 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 4.7 mpt_? -53.82 -45.62 70.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 110.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.2 mm-40 -66.31 -55.25 16.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 4.6 t70 -67.28 -49.47 64.16 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.264 -0.898 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -50.58 -60.6 2.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.159 -0.963 . . . . 0.0 110.335 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 1.1 pp -54.13 -38.43 65.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.108 -0.995 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 23.4 mmm-85 -57.61 -44.71 85.66 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.722 -1.236 . . . . 0.0 108.757 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.605 ' O ' HG21 ' A' ' 15' ' ' VAL . 1.6 tt0 -49.11 -41.54 36.22 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.726 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.1 t80 -65.82 -53.24 42.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.651 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 55.9 t -47.62 -23.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -80.61 -31.53 36.62 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 12' ' ' PHE . 13.2 t -82.89 -50.43 15.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.189 0.995 . . . . 0.0 109.98 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.899 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -89.52 -17.72 28.05 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.553 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.651 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 72.76 17.74 78.42 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.899 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -71.13 -170.51 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.187 -1.184 . . . . 0.0 110.669 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.812 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -101.22 144.08 30.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.614 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -32.05 -47.26 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.806 179.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.538 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -80.26 -42.54 22.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.299 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.812 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.87 -51.07 68.85 Favored 'General case' 0 C--N 1.307 -1.248 0 O-C-N 120.315 -1.49 . . . . 0.0 109.574 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.837 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -60.08 -57.57 12.27 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.198 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.2 ttt180 -44.41 -29.76 0.74 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.681 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.03 -64.23 0.91 Allowed 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.384 -0.927 . . . . 0.0 108.91 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.725 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p90 -93.13 -10.72 34.91 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.286 -0.966 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.837 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.24 -53.39 49.81 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.738 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.9 pp20? -73.16 -45.23 57.79 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.638 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.9 t -43.9 -35.59 2.05 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.809 0.814 . . . . 0.0 109.149 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -98.61 5.76 47.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.833 -0.542 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.43 40.01 5.19 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.758 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 1.1 m95 35.36 31.4 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.859 0.838 . . . . 0.0 109.841 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.606 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 5.5 t0 -87.81 153.57 21.23 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.415 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.36 -37.68 12.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 110.858 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -61.37 2.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.93 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.606 ' CG2' ' HB3' ' A' ' 33' ' ' ASP . 5.8 tt -66.06 -59.09 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 0.0 110.802 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.598 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -43.07 -38.91 2.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.635 0.731 . . . . 0.0 109.304 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' HG11 ' A' ' 15' ' ' VAL . 12.8 mt -65.51 -55.17 19.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.545 -0.722 . . . . 0.0 109.806 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.03 5.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.526 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ASP . 45.2 t -63.01 -61.07 2.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.372 -0.83 . . . . 0.0 109.984 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.725 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.271 0.1 OUTLIER -42.51 -51.92 4.9 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 110.472 179.185 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.676 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 4.0 m-30 -68.48 -49.15 61.85 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.576 -0.703 . . . . 0.0 110.406 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 15.54 3.74 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.198 0.999 . . . . 0.0 110.548 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.7 t70 -71.3 -23.7 62.0 Favored 'General case' 0 C--N 1.28 -2.443 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.42 73.29 0.04 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.542 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.232 0.539 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 6' ' ' GLN . . . -50.83 -34.64 28.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.261 -0.899 . . . . 0.0 110.175 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -67.56 -36.34 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.908 . . . . 0.0 110.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.78 -43.63 81.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.595 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.1 mtp180 -58.1 -40.03 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 110.134 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 5.4 mm100 -70.12 -55.26 9.87 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.9 t70 -68.38 -57.59 5.66 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.848 . . . . 0.0 110.374 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.05 -51.91 7.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.783 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.672 ' CD1' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.61 -55.38 34.04 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.047 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.672 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 9.1 mmm180 -53.02 -40.03 63.59 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.44 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.69 -35.59 31.77 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 176.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.755 ' O ' HG11 ' A' ' 15' ' ' VAL . 4.0 t80 -74.04 -52.16 13.56 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.923 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 ' CB ' ' A' ' 23' ' ' ALA . 45.9 t -58.12 -20.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -82.62 -26.39 32.27 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.755 HG11 ' O ' ' A' ' 12' ' ' PHE . 11.6 p -101.65 -43.85 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 121.395 -0.816 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 1.0 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -84.52 -22.33 30.2 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 70.77 19.53 76.8 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.0 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -77.44 -179.88 6.04 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.653 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -80.07 143.44 34.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.593 -0.692 . . . . 0.0 110.452 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -37.12 -52.93 1.02 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.553 -0.717 . . . . 0.0 110.532 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.62 -32.58 36.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.597 -0.69 . . . . 0.0 112.119 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.685 ' HB3' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -61.69 -60.79 3.14 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.844 -1.16 . . . . 0.0 108.819 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.781 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -54.36 -51.73 63.86 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -48.72 -29.59 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.148 -0.97 . . . . 0.0 109.869 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.52 -61.96 1.71 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.323 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.781 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 10.1 p90 -89.75 -11.65 41.64 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.825 ' CD2' ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.06 -50.8 66.97 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 176.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 21.7 pt-20 -72.45 -46.64 54.06 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.686 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.638 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.8 t -43.73 -35.12 1.72 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.806 0.812 . . . . 0.0 109.07 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.569 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -97.38 6.07 48.83 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.229 0.538 . . . . 0.0 110.821 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 89.7 38.68 6.47 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.86 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.1 m95 35.06 30.19 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.769 0.795 . . . . 0.0 110.116 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.621 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 t70 -99.39 150.54 22.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.647 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.662 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 4.1 mp -83.31 -57.87 3.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 110.917 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -34.77 -52.04 0.51 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.043 . . . . 0.0 110.407 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.621 ' CG2' ' HB3' ' A' ' 33' ' ' ASP . 5.6 tt -76.78 -61.06 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.951 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.603 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -58.28 -52.47 65.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.08 -44.86 79.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.51 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -50.69 -40.96 55.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.764 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -63.03 -58.32 7.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.069 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.705 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.27 0.1 OUTLIER -41.68 -52.67 3.8 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.32 -0.863 . . . . 0.0 110.634 179.197 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.5 m-30 -76.02 -46.93 26.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.429 -0.794 . . . . 0.0 110.463 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 40' ' ' SER . 1.1 mt-10 -117.69 148.15 42.25 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.255 -0.903 . . . . 0.0 110.559 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -105.66 -0.19 25.81 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' O ' ' OXT' ' A' ' 46' ' ' GLY . . . 108.05 45.73 1.07 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' OXT' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 118.024 -1.431 . . . . 0.0 109.548 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.76 -22.14 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.34 -18.43 58.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.3 mt-10 -63.9 -53.1 55.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 110.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 15.1 mtp180 -47.4 -47.96 26.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 4.1 mm100 -69.45 -57.29 5.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.431 -0.793 . . . . 0.0 110.446 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.38 -57.96 5.08 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -44.38 -52.9 7.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.199 -0.938 . . . . 0.0 109.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -60.08 -53.41 58.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.749 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 9.8 mmm180 -49.72 -38.41 33.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.518 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 9.1 tp10 -51.36 -41.91 60.96 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.677 ' O ' ' N ' ' A' ' 15' ' ' VAL . 2.4 t80 -65.32 -56.62 11.63 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.75 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 75.8 t -47.1 -26.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -68.93 -36.61 78.18 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 12' ' ' PHE . 6.2 t -87.46 -53.98 8.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.87 0.843 . . . . 0.0 110.686 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.671 ' OG1' ' CE2' ' A' ' 41' ' ' PHE . 3.0 t -80.88 -34.26 33.74 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.387 1.089 . . . . 0.0 109.635 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.75 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.66 15.49 66.53 Favored Glycine 0 C--N 1.284 -2.353 0 N-CA-C 105.399 -3.081 . . . . 0.0 105.399 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' HB2' ' OG1' ' A' ' 16' ' ' THR . . . -54.96 -173.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.57 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.882 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -89.36 138.52 31.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.162 -0.962 . . . . 0.0 108.481 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.1 -47.29 0.1 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.245 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.509 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 27.6 m-20 -82.34 -43.26 17.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.882 -0.511 . . . . 0.0 112.264 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.882 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -56.07 -50.27 71.47 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.434 -1.417 . . . . 0.0 109.576 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.72 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -62.23 -57.7 10.47 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.634 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.19 -24.57 1.19 Allowed 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.482 179.187 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -66.64 -63.68 1.02 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.286 -0.884 . . . . 0.0 108.935 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 27.8 p90 -91.11 -13.82 32.35 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.273 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -63.31 -54.57 34.97 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.729 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -72.88 -44.81 60.87 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.575 0.702 . . . . 0.0 111.05 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.646 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.7 t -43.6 -37.2 2.43 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.885 0.85 . . . . 0.0 109.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.539 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -95.93 6.3 49.19 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.3 39.46 6.01 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.764 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER 35.17 30.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.851 0.834 . . . . 0.0 109.816 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.6 t70 -93.47 150.16 20.66 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.527 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -85.16 -53.61 5.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.146 -0.971 . . . . 0.0 110.742 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.5 mp0 -35.07 -50.34 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.944 -1.097 . . . . 0.0 109.865 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.618 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 5.1 tt -79.86 -61.64 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 0.0 110.726 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.618 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -56.73 -51.91 67.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 109.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.675 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -57.43 -50.28 73.52 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.856 . . . . 0.0 109.522 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.565 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -49.5 -28.4 5.39 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.565 -0.854 . . . . 0.0 109.15 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 37' ' ' ALA . 8.5 t -73.46 -65.33 0.83 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 111.02 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -50.98 -43.77 60.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 111.161 -179.757 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 38' ' ' LEU . 4.7 m-85 -72.17 -35.48 69.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.288 -0.882 . . . . 0.0 110.851 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 6.5 mm-40 -90.29 15.12 11.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.933 -1.104 . . . . 0.0 110.206 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -79.26 -1.88 38.62 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.2 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.87 76.65 0.07 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.606 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.278 0.561 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.03 57.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.195 -0.941 . . . . 0.0 110.235 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.13 -35.17 79.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 0.0 110.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 47.2 mm-40 -55.89 -41.21 74.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.89 . . . . 0.0 110.116 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 32' ' ' TRP . 2.3 mmt-85 -51.06 -38.71 53.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.0 110.142 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.497 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.9 mm-40 -72.35 -62.49 1.42 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.394 -0.816 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.0 t70 -61.68 -45.02 95.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.407 -0.808 . . . . 0.0 110.431 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -53.6 -61.67 2.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -53.41 -37.94 62.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.035 -1.041 . . . . 0.0 109.277 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.542 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 19.1 mmm180 -57.1 -46.94 82.17 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.668 -1.27 . . . . 0.0 108.995 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -47.72 -40.25 19.8 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 26' ' ' PHE . 5.2 t80 -65.91 -52.62 48.35 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.79 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 71.6 t -51.34 -24.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -74.12 -30.57 62.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.704 HG11 ' O ' ' A' ' 12' ' ' PHE . 14.7 p -99.14 -43.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 121.897 0.856 . . . . 0.0 110.801 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.862 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -92.94 -8.72 42.39 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.79 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 45.43 23.24 0.77 Allowed Glycine 0 N--CA 1.486 2.024 0 N-CA-C 108.426 -1.87 . . . . 0.0 108.426 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -63.56 -158.92 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.857 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.917 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -107.41 146.28 31.88 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.647 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.21 -47.22 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.739 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.521 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 20.7 m-20 -85.92 -38.0 18.49 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.917 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.59 -44.97 94.98 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.077 -1.64 . . . . 0.0 108.998 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.732 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -65.37 -59.47 3.99 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.647 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 1.7 ttp85 -49.15 -21.02 0.67 Allowed 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 119.121 -1.031 . . . . 0.0 109.148 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.62 -63.46 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.533 -0.729 . . . . 0.0 109.039 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 12' ' ' PHE . 17.0 p90 -92.36 -13.0 30.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.053 -1.459 . . . . 0.0 109.496 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -59.65 -55.74 30.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.847 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 20.6 pt-20 -72.57 -46.92 52.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.432 0.634 . . . . 0.0 111.186 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.628 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 1.6 t -42.89 -31.97 0.57 Allowed 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.823 0.82 . . . . 0.0 109.132 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.612 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -104.25 5.23 34.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.819 -0.551 . . . . 0.0 110.945 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 94.04 40.09 4.69 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.847 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 1.9 m95 35.42 31.01 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.939 0.876 . . . . 0.0 109.935 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.586 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 2.3 t70 -90.4 160.78 15.89 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.586 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.686 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.14 -44.6 8.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 110.391 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -52.32 -68.97 0.13 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.28 -0.888 . . . . 0.0 111.333 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 30' ' ' ALA . 4.0 tt -61.14 -58.31 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.509 -0.744 . . . . 0.0 110.856 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.58 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -45.04 -40.68 6.87 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.783 0.801 . . . . 0.0 108.979 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' CD2' HG21 ' A' ' 15' ' ' VAL . 20.5 mt -63.68 -45.47 89.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -45.72 -40.71 9.71 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.586 -0.845 . . . . 0.0 108.743 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 1.7 m -63.14 -69.93 0.24 Allowed 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.421 -0.799 . . . . 0.0 109.542 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.713 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.268 0.1 OUTLIER -37.08 -39.51 0.25 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.428 -0.795 . . . . 0.0 112.001 179.187 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.631 ' CD1' ' HB3' ' A' ' 41' ' ' PHE . 7.8 m-85 -94.31 -42.63 8.81 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 111.279 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 39' ' ' ALA . 5.4 mm-40 -85.78 14.54 5.76 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.049 -1.032 . . . . 0.0 110.575 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 40' ' ' SER . 11.2 t70 -95.05 9.46 39.42 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.161 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.3 73.0 0.04 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 118.027 -1.429 . . . . 0.0 109.546 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.277 0.561 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.57 -32.01 0.51 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.933 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -31.43 18.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 0.0 110.22 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 mt-10 -55.29 -37.59 67.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.873 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 30.1 mtp85 -55.44 -41.48 72.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.486 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 3.1 mm100 -69.31 -56.96 6.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.52 -55.14 16.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.386 -0.821 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.96 -56.55 4.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.044 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.674 ' CD1' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.31 -50.95 71.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 108.677 179.208 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.674 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 6.3 mmm180 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.734 -1.228 . . . . 0.0 108.734 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -50.56 -37.96 42.44 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 176.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.743 ' CE2' ' CZ ' ' A' ' 26' ' ' PHE . 2.1 t80 -70.3 -56.11 7.53 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.967 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.792 HG11 ' O ' ' A' ' 18' ' ' ALA . 25.2 t -53.56 -23.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.148 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -78.53 -27.0 45.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 12' ' ' PHE . 12.9 p -104.69 -43.14 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.376 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.812 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -77.1 -19.08 57.47 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.52 20.51 69.9 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.812 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -92.75 -171.04 2.61 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.547 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.812 ' CG ' ' HB2' ' A' ' 22' ' ' ARG . 10.8 pm0 -89.1 -174.46 4.45 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.66 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.657 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -70.19 -51.29 32.2 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.633 0.73 . . . . 0.0 110.65 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.79 -40.58 79.57 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.812 ' HB2' ' CG ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -59.1 -54.03 51.68 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.314 -1.491 . . . . 0.0 109.356 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.892 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -61.36 -54.95 37.12 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.286 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.657 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.04 -29.95 1.67 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.968 -1.083 . . . . 0.0 109.76 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -64.71 -64.52 0.85 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.599 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.743 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 14.7 p90 -92.95 -11.75 32.52 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.42 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.892 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -64.24 -55.2 23.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.727 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.6 pp20? -72.31 -45.86 58.18 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.459 0.647 . . . . 0.0 111.078 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.654 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 t -43.67 -36.31 2.13 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.808 0.814 . . . . 0.0 109.25 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.553 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -97.33 6.2 48.69 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.203 0.525 . . . . 0.0 110.945 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.77 40.23 5.34 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.745 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 1.1 m95 35.7 31.19 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 121.905 0.86 . . . . 0.0 110.064 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 31' ' ' GLY . 3.6 t0 -94.84 149.18 21.52 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.504 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.664 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 6.4 mp -84.27 -56.52 3.6 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.233 -0.917 . . . . 0.0 110.929 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.598 ' CG ' ' N ' ' A' ' 36' ' ' ILE . 9.7 pt20 -34.81 -45.97 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.184 -0.947 . . . . 0.0 110.513 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.63 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 2.9 tt -79.91 -63.93 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.93 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.63 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -56.64 -49.69 74.25 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.852 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -58.9 -48.24 82.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 0.0 109.858 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.56 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -43.57 -59.98 1.95 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.344 -0.848 . . . . 0.0 109.93 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' GLY . 32.3 m -51.41 -52.29 47.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.538 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.743 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.253 0.1 OUTLIER -46.04 -64.51 0.73 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 110.422 179.57 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.7 m-85 -68.5 -35.21 77.18 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.298 -0.876 . . . . 0.0 109.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.654 ' C ' ' H ' ' A' ' 45' ' ' GLY . 25.9 mm-40 -67.89 178.08 1.9 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.31 -0.869 . . . . 0.0 110.546 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.31 2.97 0.12 Allowed 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.654 ' H ' ' C ' ' A' ' 43' ' ' GLU . . . -100.17 33.74 6.08 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.486 2.003 0 CA-C-O 118.017 -1.435 . . . . 0.0 109.538 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.227 0.537 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -50.74 -68.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.34 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 22.6 pt-20 -42.92 -42.87 3.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.235 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.9 -43.09 81.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.283 -0.885 . . . . 0.0 110.113 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' NH1' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -54.15 -36.75 63.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.26 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.528 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.5 mm-40 -67.8 -60.77 2.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.38 -0.825 . . . . 0.0 109.586 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -68.13 -30.67 69.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.56 -0.713 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -59.92 -62.18 2.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.058 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.789 ' CB ' HD12 ' A' ' 27' ' ' LEU . 3.9 pp -54.75 -39.44 68.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.586 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 23.6 mmm180 -56.22 -37.58 69.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.892 -1.13 . . . . 0.0 109.604 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.598 ' O ' HG11 ' A' ' 15' ' ' VAL . 8.0 tp10 -57.47 -43.78 84.31 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.723 ' CE2' ' CZ ' ' A' ' 26' ' ' PHE . 4.4 t80 -68.11 -55.69 11.54 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.927 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.632 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 73.8 t -49.24 -23.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -79.55 -29.45 41.36 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.667 ' CG2' ' N ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -94.76 -44.1 13.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-O 121.888 0.851 . . . . 0.0 110.724 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.953 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -88.6 -18.24 28.44 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.632 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 66.29 19.68 68.64 Favored Glycine 0 N--CA 1.479 1.507 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.953 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -78.06 -175.36 4.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.787 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.575 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -89.3 148.99 23.25 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.329 0.585 . . . . 0.0 110.652 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -39.95 -51.09 2.52 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.674 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -76.38 -34.62 58.88 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.808 -0.557 . . . . 0.0 111.674 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -58.42 -55.12 39.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.762 -1.212 . . . . 0.0 109.349 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.929 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.99 -55.04 39.81 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 21.4 ttt180 -45.06 -34.74 2.68 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.5 m-85 -66.1 -61.3 2.11 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.541 -0.863 . . . . 0.0 110.012 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 15.0 p90 -89.93 -9.27 49.48 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.879 -1.129 . . . . 0.0 110.61 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.929 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -64.13 -56.86 11.84 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.656 ' HG3' ' N ' ' A' ' 29' ' ' SER . 23.1 pt-20 -62.82 -46.46 87.82 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.105 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.656 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.4 t -45.11 -34.17 2.51 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.694 0.759 . . . . 0.0 109.5 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -106.81 3.52 26.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.605 -0.684 . . . . 0.0 111.306 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 88.13 40.83 6.43 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.805 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 11.5 m95 37.76 27.63 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.82 -0.812 . . . . 0.0 110.705 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.796 ' HB3' HG12 ' A' ' 36' ' ' ILE . 1.2 t70 -94.12 144.72 25.24 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.198 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -77.03 -61.95 1.81 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.231 -0.918 . . . . 0.0 110.855 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -35.07 -36.97 0.06 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.87 -1.143 . . . . 0.0 109.778 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.796 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.1 mm -86.75 -70.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-O 122.264 1.031 . . . . 0.0 109.124 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -48.21 -48.33 35.01 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.991 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.625 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -63.98 -51.92 62.04 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.856 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 35' ' ' GLN . . . -49.52 -37.67 27.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -0.916 . . . . 0.0 109.89 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -63.11 -56.36 17.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.206 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.708 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.268 0.1 OUTLIER -42.08 -50.68 4.69 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.2 -0.937 . . . . 0.0 110.439 179.141 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.0 m-30 -81.08 -48.16 12.55 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.49 -0.756 . . . . 0.0 110.401 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 40' ' ' SER . 2.2 mt-10 -108.74 149.62 28.76 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.338 -0.851 . . . . 0.0 110.644 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.47 -1.67 19.38 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.65 80.75 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 117.922 -1.488 . . . . 0.0 109.586 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 2' ' ' ALA . 3.5 mtt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.261 0.553 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.78 -30.95 0.43 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 110.239 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.08 -28.37 67.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.221 -0.924 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 25.7 mm-40 -61.16 -50.54 72.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.306 -0.871 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -49.45 -48.7 47.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 4.1 mm100 -69.24 -55.86 9.3 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.461 -0.775 . . . . 0.0 110.567 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.34 -59.4 2.89 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 110.609 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -47.14 -54.4 10.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.721 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 7.2 tt -58.11 -47.5 83.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 108.962 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' GLU . 11.5 mmm180 -54.13 -43.63 70.66 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.811 -1.181 . . . . 0.0 108.804 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.561 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 1.6 tt0 -48.59 -39.8 25.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 177.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.736 ' CE2' ' CE2' ' A' ' 26' ' ' PHE . 7.1 t80 -66.64 -55.33 15.77 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.79 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 88.3 t -48.19 -25.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -68.33 -38.36 81.45 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG11 ' O ' ' A' ' 12' ' ' PHE . 7.5 p -88.78 -49.48 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.916 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.64 ' OG1' ' CZ ' ' A' ' 41' ' ' PHE . 1.8 t -83.12 -34.22 26.13 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.516 1.151 . . . . 0.0 109.181 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.79 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.63 16.68 68.05 Favored Glycine 0 C--N 1.282 -2.42 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' HB1' ' CB ' ' A' ' 23' ' ' ALA . . . -57.33 -175.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.805 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.888 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -91.4 141.94 28.21 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.26 -47.8 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.2 -1.0 . . . . 0.0 108.924 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.518 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 7.1 m-20 -80.01 -45.88 17.59 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.91 -0.494 . . . . 0.0 111.637 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.888 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -59.35 -44.13 92.72 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.577 -1.327 . . . . 0.0 109.401 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.676 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -63.86 -56.82 12.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.621 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 1.2 ttm180 -49.76 -23.11 1.65 Allowed 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.124 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.35 -62.82 1.27 Allowed 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.76 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 20.5 p90 -92.06 -13.49 30.79 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.168 -1.413 . . . . 0.0 110.04 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD21 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -62.64 -57.15 12.06 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.753 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -70.98 -45.11 64.61 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.398 0.618 . . . . 0.0 111.326 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.661 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 3.0 t -43.77 -37.86 2.93 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.84 0.829 . . . . 0.0 109.107 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.596 ' HB3' ' HB ' ' A' ' 36' ' ' ILE . . . -96.85 6.36 48.81 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.322 0.582 . . . . 0.0 110.669 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.06 42.62 4.94 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.809 ' HA ' HD21 ' A' ' 27' ' ' LEU . 1.2 m95 35.57 31.31 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.982 0.896 . . . . 0.0 109.754 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' ' 36' ' ' ILE . 47.6 t0 -87.37 165.01 15.91 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.663 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.703 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.56 -62.44 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.256 -0.902 . . . . 0.0 110.719 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -33.62 11.07 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.379 -0.826 . . . . 0.0 110.908 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -81.51 -71.02 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 122.204 1.002 . . . . 0.0 109.419 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.682 ' CB ' ' CZ ' ' A' ' 12' ' ' PHE . . . -41.08 -34.89 0.48 Allowed 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.612 ' CD2' ' CG2' ' A' ' 15' ' ' VAL . 13.2 mt -65.92 -51.47 58.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -43.77 -31.63 0.86 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.532 ' O ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -71.2 -70.68 0.3 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.57 -0.706 . . . . 0.0 109.828 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.76 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.256 0.1 OUTLIER -42.85 -47.89 5.66 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 110.791 179.117 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.571 ' CE1' HD21 ' A' ' 38' ' ' LEU . 27.1 m-85 -80.16 -40.43 27.34 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.615 -0.678 . . . . 0.0 110.413 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 39' ' ' ALA . 3.3 mm-40 -125.69 152.31 45.45 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.029 0.919 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -119.7 -1.92 10.5 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . . . 129.66 71.03 0.12 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.977 -1.457 . . . . 0.0 109.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 66.1 mtm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.323 0.582 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.31 -28.28 18.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 0.0 110.246 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.52 64.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -63.73 -52.23 61.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -44.03 -47.8 8.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.123 -0.986 . . . . 0.0 110.39 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 2.3 mm100 -70.69 -60.32 2.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.389 -0.819 . . . . 0.0 110.278 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -63.37 -51.42 65.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.408 -0.808 . . . . 0.0 110.325 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -48.62 -63.01 1.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 110.136 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.599 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -56.14 -39.84 72.89 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.023 -1.048 . . . . 0.0 109.39 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 7.4 mmm180 -57.04 -42.59 80.74 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.717 -1.239 . . . . 0.0 108.385 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 1.5 tp10 -49.12 -42.35 38.93 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 13.5 t80 -67.55 -56.96 7.42 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.704 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 53.0 t -47.33 -23.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 118.778 -1.169 . . . . 0.0 107.884 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -77.77 -30.6 51.49 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 12' ' ' PHE . 14.6 p -92.53 -42.64 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 122.092 0.949 . . . . 0.0 110.217 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.954 ' CG2' ' HB2' ' A' ' 18' ' ' ALA 0.251 0.3 OUTLIER -89.41 -18.93 25.83 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.698 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.704 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.78 22.74 60.18 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.954 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -78.19 -173.17 3.1 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.429 -1.309 . . . . 0.0 110.89 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -87.84 145.01 26.28 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.197 0.522 . . . . 0.0 110.395 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -33.29 -51.08 0.33 Allowed 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.678 0.752 . . . . 0.0 109.779 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -74.27 -47.26 36.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.806 -0.559 . . . . 0.0 111.447 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -51.25 -46.38 62.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.846 -1.159 . . . . 0.0 109.326 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.749 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.12 -62.13 1.65 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -46.98 -22.68 0.35 Allowed 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.158 178.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -66.65 -64.44 0.86 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.383 -0.823 . . . . 0.0 108.973 179.347 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -87.97 -15.21 37.12 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.689 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' ' N ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -60.03 -60.87 3.14 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.771 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -69.95 -45.75 66.77 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.403 0.621 . . . . 0.0 111.55 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.621 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.4 t -43.43 -36.14 1.85 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.9 0.857 . . . . 0.0 109.442 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.555 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . . . -101.44 5.33 41.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.773 -0.58 . . . . 0.0 110.813 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 95.48 44.2 3.25 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.804 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.1 m95 36.18 32.28 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.103 0.954 . . . . 0.0 109.87 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.646 ' HB3' HG12 ' A' ' 36' ' ' ILE . 45.2 t0 -89.43 163.84 15.11 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.471 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.672 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -92.92 -62.81 1.31 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.178 -0.951 . . . . 0.0 111.311 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.32 -33.5 9.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.223 -0.923 . . . . 0.0 111.362 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.646 HG12 ' HB3' ' A' ' 33' ' ' ASP . 0.8 OUTLIER -78.26 -71.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-O 122.225 1.012 . . . . 0.0 109.819 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.674 ' CB ' ' CE2' ' A' ' 12' ' ' PHE . . . -49.34 -37.96 26.42 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 12' ' ' PHE . 52.0 mt -59.24 -50.44 74.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.764 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.663 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -47.67 -40.85 21.0 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.331 -0.855 . . . . 0.0 108.742 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.479 ' HA ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 m -55.01 -60.56 3.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.259 -0.9 . . . . 0.0 109.401 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.714 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.264 0.1 OUTLIER -37.41 -53.18 1.14 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.475 -0.766 . . . . 0.0 110.899 178.84 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 17.3 m-85 -82.55 -44.35 15.99 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.563 -0.711 . . . . 0.0 109.842 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.4 mm-40 -70.36 172.47 8.24 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.42 -0.8 . . . . 0.0 110.307 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.68 -1.03 0.33 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 43' ' ' GLU . . . 97.9 75.62 1.23 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.627 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.211 0.529 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.29 -40.07 2.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.218 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.57 -38.11 9.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.207 -0.933 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 6.1 mm-40 -56.63 -42.6 79.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.211 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 27.3 mtp180 -52.64 -38.85 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -0.892 . . . . 0.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.46 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 6.3 mm100 -68.12 -59.75 3.0 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.412 -0.805 . . . . 0.0 109.737 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ALA . 7.9 t0 -70.22 -58.49 3.72 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.453 -0.779 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.59 -38.63 4.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 110.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.677 ' CD1' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -64.69 -58.78 5.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.256 -0.903 . . . . 0.0 108.841 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 15.6 mmm180 -55.12 -38.9 68.78 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.671 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 11.1 tp10 -53.98 -38.15 64.72 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.719 ' CE2' ' CZ ' ' A' ' 26' ' ' PHE . 3.0 t80 -73.04 -52.66 13.53 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 72.8 t -55.64 -21.99 11.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -79.64 -27.27 40.93 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.712 HG11 ' O ' ' A' ' 12' ' ' PHE . 14.5 p -101.3 -43.68 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.904 ' CG2' ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -90.3 -13.68 34.74 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 62.59 18.04 58.27 Favored Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.904 ' HB2' ' CG2' ' A' ' 16' ' ' THR . . . -73.35 -165.27 0.24 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -1.143 . . . . 0.0 110.501 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.803 ' HG2' ' H ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -105.22 140.11 38.87 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.527 -0.733 . . . . 0.0 109.098 179.406 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.9 -46.18 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.265 -0.974 . . . . 0.0 108.707 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.535 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -78.49 -39.2 38.97 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.201 -179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.803 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.68 -55.01 39.7 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.459 -1.401 . . . . 0.0 109.419 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.932 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.07 -52.46 64.19 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.831 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 1.1 ttm180 -46.5 -35.31 5.56 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.258 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -62.4 1.6 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.637 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 18.5 p90 -89.01 -9.71 50.3 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.061 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.932 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.5 mt -59.75 -63.22 1.38 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.738 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 13.3 pt-20 -62.34 -44.72 95.83 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.246 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.645 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.2 t -41.42 -35.71 0.72 Allowed 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 36' ' ' ILE . . . -108.1 3.01 23.42 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.301 0.572 . . . . 0.0 110.571 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.98 47.81 3.52 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.738 ' CD1' ' HA ' ' A' ' 28' ' ' GLU . 16.7 m95 34.68 30.9 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.934 0.873 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.671 ' HB3' HG12 ' A' ' 36' ' ' ILE . 17.9 t0 -86.2 156.53 20.27 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.78 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -88.44 -62.44 1.49 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.88 . . . . 0.0 110.439 -179.353 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -50.68 -38.7 48.34 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.191 -0.943 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.671 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.2 mm -74.24 -70.22 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-O 122.391 1.091 . . . . 0.0 109.134 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . . . -44.98 -38.75 4.97 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.892 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 34.4 mt -62.67 -51.53 66.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.529 -0.732 . . . . 0.0 109.502 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -42.99 -47.0 5.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.371 -0.83 . . . . 0.0 109.548 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -58.12 -62.6 1.7 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.342 -0.849 . . . . 0.0 109.615 179.544 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.286 0.1 OUTLIER -39.32 -40.03 0.73 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.856 0.836 . . . . 0.0 110.148 178.604 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.4 m-85 -83.1 -33.07 26.43 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.587 0.708 . . . . 0.0 109.953 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.2 OUTLIER 55.6 19.95 3.58 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.728 1.252 . . . . 0.0 109.605 179.342 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.22 35.07 0.38 Allowed 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.8 69.18 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.951 -1.472 . . . . 0.0 109.597 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.322 0.582 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 5' ' ' ARG . . . -49.69 -26.05 3.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.217 -0.927 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -32.85 1.42 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.238 -0.914 . . . . 0.0 110.178 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 22.0 mm-40 -51.32 -30.89 19.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.255 -0.903 . . . . 0.0 110.035 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.621 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.14 -47.37 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.325 -0.859 . . . . 0.0 110.12 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 6' ' ' GLN . 4.1 mm100 -56.35 -48.69 76.28 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.366 -0.834 . . . . 0.0 109.426 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.3 t70 -74.17 -60.91 2.05 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.58 -0.7 . . . . 0.0 110.485 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 11' ' ' GLU . . . -41.66 -42.07 2.41 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.225 -0.922 . . . . 0.0 110.159 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -63.86 -59.64 4.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.235 -0.916 . . . . 0.0 108.743 179.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.583 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 35.7 mmm-85 -51.89 -37.59 52.94 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.776 -1.169 . . . . 0.0 108.455 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.505 ' O ' ' HB1' ' A' ' 14' ' ' ALA . 6.3 tp10 -53.72 -40.94 66.52 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.946 ' CZ ' ' CE1' ' A' ' 26' ' ' PHE . 25.6 t80 -71.12 -56.14 6.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.908 HG11 ' O ' ' A' ' 18' ' ' ALA . 49.0 t -50.72 -21.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 C-N-CA 118.841 -1.144 . . . . 0.0 108.146 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 11' ' ' GLU . . . -80.57 -27.4 37.49 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.883 HG11 ' O ' ' A' ' 12' ' ' PHE . 11.3 p -96.79 -43.53 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-O 121.964 0.888 . . . . 0.0 110.503 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.828 ' CB ' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -83.71 -17.91 39.7 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.09 26.97 64.23 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.908 ' O ' HG11 ' A' ' 13' ' ' VAL . . . -102.37 -165.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.566 -1.254 . . . . 0.0 110.791 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.715 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 1.5 pm0 -83.99 -166.17 1.34 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.789 0.804 . . . . 0.0 109.31 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -81.99 -47.08 13.11 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.782 0.801 . . . . 0.0 109.7 179.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -62.22 -47.64 83.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.872 -0.518 . . . . 0.0 111.383 -178.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.715 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.23 -46.74 75.98 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.944 -1.097 . . . . 0.0 109.411 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.937 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -69.05 -56.43 7.78 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.057 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.666 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -51.78 -21.39 2.77 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.948 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -68.4 -64.9 0.77 Allowed 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.468 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.946 ' CE1' ' CZ ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -85.24 -14.41 46.82 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.385 -1.326 . . . . 0.0 110.385 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.925 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.46 -63.96 0.99 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.399 177.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.706 ' HG3' ' H ' ' A' ' 29' ' ' SER . 2.6 pp20? -56.77 -47.47 80.06 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.115 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.706 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.2 t -50.38 -34.65 24.93 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.934 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 36' ' ' ILE . . . -105.87 3.51 28.68 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.473 -0.767 . . . . 0.0 111.351 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.39 44.13 4.11 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' LEU . 19.4 m95 38.37 27.44 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.813 -0.816 . . . . 0.0 110.612 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.571 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -90.68 137.08 32.64 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.102 178.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -75.17 -53.64 8.48 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.521 -0.737 . . . . 0.0 110.654 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -34.84 -49.11 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 109.936 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.625 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 2.4 tt -79.8 -62.1 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.503 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.625 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -55.35 -50.42 69.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.579 -0.701 . . . . 0.0 109.791 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.691 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.58 -50.34 72.21 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.244 -0.91 . . . . 0.0 109.07 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -51.95 -27.94 14.92 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.91 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -67.8 -63.62 1.02 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.551 -0.718 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.705 ' CZ ' ' HB2' ' A' ' 18' ' ' ALA 0.257 0.2 OUTLIER -40.03 -50.36 2.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.382 -0.824 . . . . 0.0 110.844 179.427 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-30 -74.22 -47.05 37.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.539 -0.726 . . . . 0.0 110.589 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 37.0 mm-40 -82.13 14.3 2.94 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.174 0.987 . . . . 0.0 110.9 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.4 t70 -99.55 29.88 3.85 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.3 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.91 59.97 0.04 OUTLIER Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 118.02 -1.433 . . . . 0.0 109.525 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.209 0.528 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -17.02 63.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.2 mt-10 -53.3 -36.11 60.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.865 . . . . 0.0 110.067 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.595 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.7 mpt_? -53.82 -45.62 70.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 110.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.2 mm-40 -66.31 -55.25 16.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 4.6 t70 -67.28 -49.47 64.16 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.264 -0.898 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -50.58 -60.6 2.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.159 -0.963 . . . . 0.0 110.335 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 1.1 pp -54.13 -38.43 65.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.108 -0.995 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 23.4 mmm-85 -57.61 -44.71 85.66 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.722 -1.236 . . . . 0.0 108.757 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -49.11 -41.54 36.22 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.741 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.1 t80 -65.82 -53.24 42.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 18' ' ' ALA . 55.9 t -47.62 -23.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.61 -31.53 36.62 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.97 HG11 HD11 ' A' ' 38' ' ' LEU . 13.2 t -82.89 -50.43 15.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.189 0.995 . . . . 0.0 109.98 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.0 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -89.52 -17.72 28.05 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.553 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 72.76 17.74 78.42 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.005 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -71.13 -170.51 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.187 -1.184 . . . . 0.0 110.669 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.831 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -101.22 144.08 30.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.614 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -32.05 -47.26 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.806 179.017 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.566 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -80.26 -42.54 22.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.299 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.831 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.87 -51.07 68.85 Favored 'General case' 0 C--N 1.307 -1.248 0 O-C-N 120.315 -1.49 . . . . 0.0 109.574 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.837 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -60.08 -57.57 12.27 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.198 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.652 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.2 ttt180 -44.41 -29.76 0.74 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.681 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.03 -64.23 0.91 Allowed 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.384 -0.927 . . . . 0.0 108.91 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.725 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p90 -93.13 -10.72 34.91 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.286 -0.966 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.985 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.24 -53.39 49.81 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.75 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.9 pp20? -73.16 -45.23 57.79 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.615 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.9 t -43.9 -35.59 2.05 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.809 0.814 . . . . 0.0 109.149 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.61 5.76 47.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.833 -0.542 . . . . 0.0 110.818 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.43 40.01 5.19 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.985 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.36 31.4 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.859 0.838 . . . . 0.0 109.841 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 36' ' ' ILE . 5.5 t0 -87.81 153.57 21.23 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.415 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -92.36 -37.68 12.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 110.858 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -61.37 2.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.93 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.887 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.8 tt -66.06 -59.09 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 0.0 110.802 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.887 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -43.07 -38.91 2.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.635 0.731 . . . . 0.0 109.304 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.97 HD11 HG11 ' A' ' 15' ' ' VAL . 12.8 mt -65.51 -55.17 19.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.545 -0.722 . . . . 0.0 109.806 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.03 5.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.526 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' PHE . 45.2 t -63.01 -61.07 2.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.372 -0.83 . . . . 0.0 109.984 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 1.0 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.271 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 110.472 179.185 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 6' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.218 0.532 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -67.56 -36.34 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.908 . . . . 0.0 110.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.78 -43.63 81.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.1 mtp180 -58.1 -40.03 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 110.134 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 20.9 mm-40 -70.12 -55.26 9.87 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.9 t70 -68.38 -57.59 5.66 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.848 . . . . 0.0 110.374 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.05 -51.91 7.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.783 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.083 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.61 -55.38 34.04 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.047 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 1.083 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.1 mmm180 -53.02 -40.03 63.59 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.44 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.643 ' OE2' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.69 -35.59 31.77 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 176.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.858 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.0 t80 -74.04 -52.16 13.56 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.923 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 18' ' ' ALA . 45.9 t -58.12 -20.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -82.62 -26.39 32.27 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HD11 ' A' ' 38' ' ' LEU . 11.6 p -101.65 -43.85 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 121.395 -0.816 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -84.52 -22.33 30.2 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 70.77 19.53 76.8 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 22' ' ' ARG . . . -77.44 -179.88 6.04 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.653 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.71 ' CB ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -80.07 143.44 34.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.593 -0.692 . . . . 0.0 110.452 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -37.12 -52.93 1.02 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.553 -0.717 . . . . 0.0 110.532 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.62 -32.58 36.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.597 -0.69 . . . . 0.0 112.119 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.974 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.69 -60.79 3.14 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.844 -1.16 . . . . 0.0 108.819 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -54.36 -51.73 63.86 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -48.72 -29.59 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.148 -0.97 . . . . 0.0 109.869 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.52 -61.96 1.71 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.323 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.776 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 10.1 p90 -89.75 -11.65 41.64 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.082 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.06 -50.8 66.97 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 176.434 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.868 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 21.7 pt-20 -72.45 -46.64 54.06 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.686 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.654 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.8 t -43.73 -35.12 1.72 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.806 0.812 . . . . 0.0 109.07 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -97.38 6.07 48.83 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.229 0.538 . . . . 0.0 110.821 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 89.7 38.68 6.47 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.082 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.06 30.19 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.769 0.795 . . . . 0.0 110.116 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.706 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.9 t70 -99.39 150.54 22.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.647 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 4.1 mp -83.31 -57.87 3.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 110.917 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.634 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -34.77 -52.04 0.51 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.043 . . . . 0.0 110.407 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.6 tt -76.78 -61.06 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.951 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -58.28 -52.47 65.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.967 HD11 ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.08 -44.86 79.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.51 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -50.69 -40.96 55.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.764 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -63.03 -58.32 7.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.069 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 1.025 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.27 0.1 OUTLIER . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.32 -0.863 . . . . 0.0 110.634 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.34 -18.43 58.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 88.3 mt-10 -63.9 -53.1 55.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 110.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 15.1 mtp180 -47.4 -47.96 26.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 4.1 mm100 -69.45 -57.29 5.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.431 -0.793 . . . . 0.0 110.446 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.38 -57.96 5.08 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.38 -52.9 7.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.199 -0.938 . . . . 0.0 109.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.08 -53.41 58.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.749 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 1.03 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.8 mmm180 -49.72 -38.41 33.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.518 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.948 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 9.1 tp10 -51.36 -41.91 60.96 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 16' ' ' THR . 2.4 t80 -65.32 -56.62 11.63 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.747 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 75.8 t -47.1 -26.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.93 -36.61 78.18 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.034 ' CG1' HD21 ' A' ' 38' ' ' LEU . 6.2 t -87.46 -53.98 8.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.87 0.843 . . . . 0.0 110.686 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 18' ' ' ALA . 3.0 t -80.88 -34.26 33.74 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.387 1.089 . . . . 0.0 109.635 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.747 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.66 15.49 66.53 Favored Glycine 0 C--N 1.284 -2.353 0 N-CA-C 105.399 -3.081 . . . . 0.0 105.399 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.917 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -54.96 -173.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.57 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -89.36 138.52 31.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.162 -0.962 . . . . 0.0 108.481 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.1 -47.29 0.1 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.245 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.539 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 27.6 m-20 -82.34 -43.26 17.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.882 -0.511 . . . . 0.0 112.264 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -56.07 -50.27 71.47 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.434 -1.417 . . . . 0.0 109.576 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -62.23 -57.7 10.47 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.643 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.19 -24.57 1.19 Allowed 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.482 179.187 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -66.64 -63.68 1.02 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.286 -0.884 . . . . 0.0 108.935 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 27.8 p90 -91.11 -13.82 32.35 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.273 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.994 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -63.31 -54.57 34.97 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -72.88 -44.81 60.87 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.575 0.702 . . . . 0.0 111.05 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.616 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.7 t -43.6 -37.2 2.43 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.885 0.85 . . . . 0.0 109.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -95.93 6.3 49.19 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.3 39.46 6.01 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.994 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER 35.17 30.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.851 0.834 . . . . 0.0 109.816 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.704 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.6 t70 -93.47 150.16 20.66 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.527 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -85.16 -53.61 5.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.146 -0.971 . . . . 0.0 110.742 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.655 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 2.5 mp0 -35.07 -50.34 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.944 -1.097 . . . . 0.0 109.865 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.907 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.1 tt -79.86 -61.64 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 0.0 110.726 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.907 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.73 -51.91 67.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 109.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.034 HD21 ' CG1' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -57.43 -50.28 73.52 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.856 . . . . 0.0 109.522 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.5 -28.4 5.39 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.565 -0.854 . . . . 0.0 109.15 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' ALA . 8.5 t -73.46 -65.33 0.83 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 111.02 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 111.161 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.251 0.548 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.13 -35.17 79.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 0.0 110.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 47.2 mm-40 -55.89 -41.21 74.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.89 . . . . 0.0 110.116 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.601 ' HD3' ' CE3' ' A' ' 32' ' ' TRP . 2.3 mmt-85 -51.06 -38.71 53.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.0 110.142 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.507 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.5 mm100 -72.35 -62.49 1.42 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.394 -0.816 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.0 t70 -61.68 -45.02 95.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.407 -0.808 . . . . 0.0 110.431 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -53.6 -61.67 2.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -53.41 -37.94 62.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.035 -1.041 . . . . 0.0 109.277 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 19.1 mmm180 -57.1 -46.94 82.17 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.668 -1.27 . . . . 0.0 108.995 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -47.72 -40.25 19.8 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.336 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.778 ' HA ' HG12 ' A' ' 15' ' ' VAL . 5.2 t80 -65.91 -52.62 48.35 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.792 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 71.6 t -51.34 -24.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -74.12 -30.57 62.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.954 ' CG2' HD21 ' A' ' 38' ' ' LEU . 14.7 p -99.14 -43.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 121.897 0.856 . . . . 0.0 110.801 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.924 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -92.94 -8.72 42.39 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.792 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 45.43 23.24 0.77 Allowed Glycine 0 N--CA 1.486 2.024 0 N-CA-C 108.426 -1.87 . . . . 0.0 108.426 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.991 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -63.56 -158.92 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.857 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.928 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -107.41 146.28 31.88 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.605 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.661 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.21 -47.22 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.739 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.614 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 20.7 m-20 -85.92 -38.0 18.49 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.928 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.59 -44.97 94.98 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.077 -1.64 . . . . 0.0 108.998 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.991 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -65.37 -59.47 3.99 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 1.7 ttp85 -49.15 -21.02 0.67 Allowed 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 119.121 -1.031 . . . . 0.0 109.148 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.617 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.62 -63.46 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.533 -0.729 . . . . 0.0 109.039 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 12' ' ' PHE . 17.0 p90 -92.36 -13.0 30.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.053 -1.459 . . . . 0.0 109.496 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.018 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -59.65 -55.74 30.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 20.6 pt-20 -72.57 -46.92 52.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.432 0.634 . . . . 0.0 111.186 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.628 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 1.6 t -42.89 -31.97 0.57 Allowed 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.823 0.82 . . . . 0.0 109.132 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -104.25 5.23 34.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.819 -0.551 . . . . 0.0 110.945 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 94.04 40.09 4.69 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.018 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.9 m95 35.42 31.01 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.939 0.876 . . . . 0.0 109.935 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.608 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 2.3 t70 -90.4 160.78 15.89 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.586 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.686 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.14 -44.6 8.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 110.391 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -52.32 -68.97 0.13 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.28 -0.888 . . . . 0.0 111.333 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.861 HG23 ' H ' ' A' ' 37' ' ' ALA . 4.0 tt -61.14 -58.31 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.509 -0.744 . . . . 0.0 110.856 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -45.04 -40.68 6.87 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.783 0.801 . . . . 0.0 108.979 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.954 HD21 ' CG2' ' A' ' 15' ' ' VAL . 20.5 mt -63.68 -45.47 89.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -45.72 -40.71 9.71 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.586 -0.845 . . . . 0.0 108.743 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 37' ' ' ALA . 1.7 m -63.14 -69.93 0.24 Allowed 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.421 -0.799 . . . . 0.0 109.542 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.924 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.448 0 O-C-N 121.428 -0.795 . . . . 0.0 112.001 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.215 0.531 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -31.43 18.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 0.0 110.22 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 mt-10 -55.29 -37.59 67.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.873 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 30.1 mtp85 -55.44 -41.48 72.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.486 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 3.1 mm100 -69.31 -56.96 6.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.52 -55.14 16.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.386 -0.821 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.96 -56.55 4.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.044 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.119 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.31 -50.95 71.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 108.677 179.208 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 1.119 ' N ' HD13 ' A' ' 9' ' ' LEU . 6.3 mmm180 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.734 -1.228 . . . . 0.0 108.734 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -50.56 -37.96 42.44 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 176.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.847 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.1 t80 -70.3 -56.11 7.53 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.967 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 18' ' ' ALA . 25.2 t -53.56 -23.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.148 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -78.53 -27.0 45.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.112 HG21 HD11 ' A' ' 38' ' ' LEU . 12.9 p -104.69 -43.14 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.376 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -77.1 -19.08 57.47 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.52 20.51 69.9 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.898 ' H ' HG22 ' A' ' 16' ' ' THR . . . -92.75 -171.04 2.61 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.547 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.841 ' CG ' ' HB2' ' A' ' 22' ' ' ARG . 10.8 pm0 -89.1 -174.46 4.45 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.66 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -70.19 -51.29 32.2 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.633 0.73 . . . . 0.0 110.65 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.79 -40.58 79.57 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' CG ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -59.1 -54.03 51.68 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.314 -1.491 . . . . 0.0 109.356 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.892 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -61.36 -54.95 37.12 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.286 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.674 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.04 -29.95 1.67 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.968 -1.083 . . . . 0.0 109.76 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -64.71 -64.52 0.85 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.599 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.743 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 14.7 p90 -92.95 -11.75 32.52 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.42 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -64.24 -55.2 23.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.545 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.737 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.6 pp20? -72.31 -45.86 58.18 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.459 0.647 . . . . 0.0 111.078 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.625 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 t -43.67 -36.31 2.13 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.808 0.814 . . . . 0.0 109.25 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 36' ' ' ILE . . . -97.33 6.2 48.69 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.203 0.525 . . . . 0.0 110.945 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.77 40.23 5.34 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.981 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.7 31.19 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 121.905 0.86 . . . . 0.0 110.064 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.681 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.6 t0 -94.84 149.18 21.52 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.504 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 6.4 mp -84.27 -56.52 3.6 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.233 -0.917 . . . . 0.0 110.929 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.704 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 9.7 pt20 -34.81 -45.97 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.184 -0.947 . . . . 0.0 110.513 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.951 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.9 tt -79.91 -63.93 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.93 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.951 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.64 -49.69 74.25 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.852 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.112 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -58.9 -48.24 82.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 0.0 109.858 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -43.57 -59.98 1.95 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.344 -0.848 . . . . 0.0 109.93 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 m -51.41 -52.29 47.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 16' ' ' THR 0.253 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 110.422 179.57 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.249 0.547 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 22.6 pt-20 -42.92 -42.87 3.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.235 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.9 -43.09 81.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.283 -0.885 . . . . 0.0 110.113 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -54.15 -36.75 63.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.26 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.1 mm100 -67.8 -60.77 2.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.38 -0.825 . . . . 0.0 109.586 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -68.13 -30.67 69.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.56 -0.713 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -59.92 -62.18 2.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.058 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.78 ' HA ' HD11 ' A' ' 27' ' ' LEU . 3.9 pp -54.75 -39.44 68.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.708 HH11 HG11 ' A' ' 13' ' ' VAL . 23.6 mmm180 -56.22 -37.58 69.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.892 -1.13 . . . . 0.0 109.604 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.988 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 tp10 -57.47 -43.78 84.31 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CE2' ' HB1' ' A' ' 37' ' ' ALA . 4.4 t80 -68.11 -55.69 11.54 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.927 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 18' ' ' ALA . 73.8 t -49.24 -23.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -79.55 -29.45 41.36 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.988 HG13 ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -94.76 -44.1 13.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-O 121.888 0.851 . . . . 0.0 110.724 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.072 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -88.6 -18.24 28.44 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 66.29 19.68 68.64 Favored Glycine 0 N--CA 1.479 1.507 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.927 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.06 -175.36 4.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.787 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.595 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -89.3 148.99 23.25 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.329 0.585 . . . . 0.0 110.652 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -39.95 -51.09 2.52 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.674 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -76.38 -34.62 58.88 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.808 -0.557 . . . . 0.0 111.674 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -58.42 -55.12 39.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.762 -1.212 . . . . 0.0 109.349 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.023 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -56.99 -55.04 39.81 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 21.4 ttt180 -45.06 -34.74 2.68 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.5 m-85 -66.1 -61.3 2.11 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.541 -0.863 . . . . 0.0 110.012 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 15.0 p90 -89.93 -9.27 49.48 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.879 -1.129 . . . . 0.0 110.61 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.025 HD23 ' HA ' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.13 -56.86 11.84 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.675 ' HG3' ' N ' ' A' ' 29' ' ' SER . 23.1 pt-20 -62.82 -46.46 87.82 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.105 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.675 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.4 t -45.11 -34.17 2.51 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.694 0.759 . . . . 0.0 109.5 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -106.81 3.52 26.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.605 -0.684 . . . . 0.0 111.306 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 88.13 40.83 6.43 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.025 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 m95 37.76 27.63 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.82 -0.812 . . . . 0.0 110.705 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.824 ' HB3' HG12 ' A' ' 36' ' ' ILE . 1.2 t70 -94.12 144.72 25.24 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.198 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.936 HD21 HG11 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -77.03 -61.95 1.81 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.231 -0.918 . . . . 0.0 110.855 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.732 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.8 mm-40 -35.07 -36.97 0.06 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.87 -1.143 . . . . 0.0 109.778 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.824 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.1 mm -86.75 -70.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-O 122.264 1.031 . . . . 0.0 109.124 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.814 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -48.21 -48.33 35.01 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.991 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -63.98 -51.92 62.04 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.856 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.52 -37.67 27.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -0.916 . . . . 0.0 109.89 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -63.11 -56.36 17.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.206 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 1.072 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.578 0 O-C-N 121.2 -0.937 . . . . 0.0 110.439 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.237 0.541 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.08 -28.37 67.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.221 -0.924 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.689 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.7 mm-40 -61.16 -50.54 72.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.306 -0.871 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -49.45 -48.7 47.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 4.1 mm100 -69.24 -55.86 9.3 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.461 -0.775 . . . . 0.0 110.567 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.34 -59.4 2.89 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 110.609 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -47.14 -54.4 10.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.857 HD11 ' CA ' ' A' ' 24' ' ' ARG . 7.2 tt -58.11 -47.5 83.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 108.962 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 11.5 mmm180 -54.13 -43.63 70.66 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.811 -1.181 . . . . 0.0 108.804 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -48.59 -39.8 25.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 177.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.953 ' CZ ' ' HB1' ' A' ' 37' ' ' ALA . 7.1 t80 -66.64 -55.33 15.77 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.785 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 88.3 t -48.19 -25.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.33 -38.36 81.45 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.08 ' CG2' HD21 ' A' ' 38' ' ' LEU . 7.5 p -88.78 -49.48 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.916 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 12' ' ' PHE . 1.8 t -83.12 -34.22 26.13 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.516 1.151 . . . . 0.0 109.181 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.785 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.63 16.68 68.05 Favored Glycine 0 C--N 1.282 -2.42 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -57.33 -175.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.805 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.909 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -91.4 141.94 28.21 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.26 -47.8 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.2 -1.0 . . . . 0.0 108.924 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.548 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 7.1 m-20 -80.01 -45.88 17.59 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.91 -0.494 . . . . 0.0 111.637 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.909 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -59.35 -44.13 92.72 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.577 -1.327 . . . . 0.0 109.401 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -63.86 -56.82 12.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.857 ' CA ' HD11 ' A' ' 9' ' ' LEU . 1.2 ttm180 -49.76 -23.11 1.65 Allowed 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.124 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.35 -62.82 1.27 Allowed 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.76 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 20.5 p90 -92.06 -13.49 30.79 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.168 -1.413 . . . . 0.0 110.04 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.003 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -62.64 -57.15 12.06 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -70.98 -45.11 64.61 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.398 0.618 . . . . 0.0 111.326 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.623 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 3.0 t -43.77 -37.86 2.93 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.84 0.829 . . . . 0.0 109.107 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -96.85 6.36 48.81 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.322 0.582 . . . . 0.0 110.669 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.06 42.62 4.94 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.003 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.2 m95 35.57 31.31 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.982 0.896 . . . . 0.0 109.754 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 36' ' ' ILE . 47.6 t0 -87.37 165.01 15.91 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.663 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.703 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.56 -62.44 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.256 -0.902 . . . . 0.0 110.719 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' C ' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -48.89 -33.62 11.07 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.379 -0.826 . . . . 0.0 110.908 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.793 HD13 ' N ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -81.51 -71.02 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 122.204 1.002 . . . . 0.0 109.419 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.953 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -41.08 -34.89 0.48 Allowed 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.08 HD21 ' CG2' ' A' ' 15' ' ' VAL . 13.2 mt -65.92 -51.47 58.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' LEU . . . -43.77 -31.63 0.86 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -71.2 -70.68 0.3 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.57 -0.706 . . . . 0.0 109.828 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.76 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.256 0.1 OUTLIER . . . . . 0 C--N 1.301 -1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 110.791 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.213 0.53 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.52 64.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -63.73 -52.23 61.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.713 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -44.03 -47.8 8.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.123 -0.986 . . . . 0.0 110.39 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 2.3 mm100 -70.69 -60.32 2.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.389 -0.819 . . . . 0.0 110.278 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -63.37 -51.42 65.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.408 -0.808 . . . . 0.0 110.325 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -48.62 -63.01 1.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 110.136 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -56.14 -39.84 72.89 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.023 -1.048 . . . . 0.0 109.39 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.589 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 7.4 mmm180 -57.04 -42.59 80.74 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.717 -1.239 . . . . 0.0 108.385 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.808 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 tp10 -49.12 -42.35 38.93 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 13.5 t80 -67.55 -56.96 7.42 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.698 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 53.0 t -47.33 -23.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 118.778 -1.169 . . . . 0.0 107.884 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -77.77 -30.6 51.49 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 38' ' ' LEU . 14.6 p -92.53 -42.64 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 122.092 0.949 . . . . 0.0 110.217 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.139 HG23 ' CZ ' ' A' ' 41' ' ' PHE 0.251 0.3 OUTLIER -89.41 -18.93 25.83 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.698 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.698 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.78 22.74 60.18 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.944 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.19 -173.17 3.1 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.429 -1.309 . . . . 0.0 110.89 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -87.84 145.01 26.28 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.197 0.522 . . . . 0.0 110.395 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -33.29 -51.08 0.33 Allowed 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.678 0.752 . . . . 0.0 109.779 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -74.27 -47.26 36.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.806 -0.559 . . . . 0.0 111.447 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.675 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -51.25 -46.38 62.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.846 -1.159 . . . . 0.0 109.326 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.782 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.12 -62.13 1.65 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -46.98 -22.68 0.35 Allowed 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.158 178.647 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.606 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -66.65 -64.44 0.86 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.383 -0.823 . . . . 0.0 108.973 179.347 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -87.97 -15.21 37.12 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.689 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.98 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -60.03 -60.87 3.14 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.772 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.763 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -69.95 -45.75 66.77 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.403 0.621 . . . . 0.0 111.55 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -43.43 -36.14 1.85 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.9 0.857 . . . . 0.0 109.442 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -101.44 5.33 41.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.773 -0.58 . . . . 0.0 110.813 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 95.48 44.2 3.25 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.98 ' HA ' HD22 ' A' ' 27' ' ' LEU . 3.1 m95 36.18 32.28 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.103 0.954 . . . . 0.0 109.87 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.665 ' HB3' HG12 ' A' ' 36' ' ' ILE . 45.2 t0 -89.43 163.84 15.11 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.471 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.672 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -92.92 -62.81 1.31 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.178 -0.951 . . . . 0.0 111.311 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.32 -33.5 9.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.223 -0.923 . . . . 0.0 111.362 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.816 HD13 ' N ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -78.26 -71.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-O 122.225 1.012 . . . . 0.0 109.819 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.885 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . . . -49.34 -37.96 26.42 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 15' ' ' VAL . 52.0 mt -59.24 -50.44 74.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.764 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.85 21.0 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.331 -0.855 . . . . 0.0 108.742 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 41' ' ' PHE . 1.6 m -55.01 -60.56 3.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.259 -0.9 . . . . 0.0 109.401 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 1.139 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.264 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 O-C-N 121.475 -0.766 . . . . 0.0 110.899 178.84 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.279 0.562 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.57 -38.11 9.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.207 -0.933 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.1 mm-40 -56.63 -42.6 79.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.211 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 27.3 mtp180 -52.64 -38.85 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -0.892 . . . . 0.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 6.3 mm100 -68.12 -59.75 3.0 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.412 -0.805 . . . . 0.0 109.737 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ALA . 7.9 t0 -70.22 -58.49 3.72 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.453 -0.779 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.59 -38.63 4.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 110.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -64.69 -58.78 5.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.256 -0.903 . . . . 0.0 108.841 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 1.057 ' N ' HD13 ' A' ' 9' ' ' LEU . 15.6 mmm180 -55.12 -38.9 68.78 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.671 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 11.1 tp10 -53.98 -38.15 64.72 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.841 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 3.0 t80 -73.04 -52.66 13.53 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 18' ' ' ALA . 72.8 t -55.64 -21.99 11.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -79.64 -27.27 40.93 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 12' ' ' PHE . 14.5 p -101.3 -43.68 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.079 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -90.3 -13.68 34.74 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 62.59 18.04 58.27 Favored Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.93 ' H ' HG22 ' A' ' 16' ' ' THR . . . -73.35 -165.27 0.24 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -1.143 . . . . 0.0 110.501 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.802 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -105.22 140.11 38.87 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.527 -0.733 . . . . 0.0 109.098 179.406 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.9 -46.18 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.265 -0.974 . . . . 0.0 108.707 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.564 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -78.49 -39.2 38.97 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.201 -179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.802 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.68 -55.01 39.7 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.459 -1.401 . . . . 0.0 109.419 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.951 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.07 -52.46 64.19 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.831 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 1.1 ttm180 -46.5 -35.31 5.56 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.258 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -62.4 1.6 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.637 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.77 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 18.5 p90 -89.01 -9.71 50.3 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.061 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.951 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.5 mt -59.75 -63.22 1.38 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 13.3 pt-20 -62.34 -44.72 95.83 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.246 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.666 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.2 t -41.42 -35.71 0.72 Allowed 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -108.1 3.01 23.42 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.301 0.572 . . . . 0.0 110.571 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.98 47.81 3.52 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.748 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 16.7 m95 34.68 30.9 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.934 0.873 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.666 ' HB3' HG12 ' A' ' 36' ' ' ILE . 17.9 t0 -86.2 156.53 20.27 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.78 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -88.44 -62.44 1.49 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.88 . . . . 0.0 110.439 -179.353 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -50.68 -38.7 48.34 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.191 -0.943 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.756 HD13 ' N ' ' A' ' 36' ' ' ILE . 1.2 mm -74.24 -70.22 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-O 122.391 1.091 . . . . 0.0 109.134 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -44.98 -38.75 4.97 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.892 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 34.4 mt -62.67 -51.53 66.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.529 -0.732 . . . . 0.0 109.502 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' LEU . . . -42.99 -47.0 5.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.371 -0.83 . . . . 0.0 109.548 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -58.12 -62.6 1.7 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.342 -0.849 . . . . 0.0 109.615 179.544 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 1.079 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.286 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 121.856 0.836 . . . . 0.0 110.148 178.604 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.486 ' HB1' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.298 0.571 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -32.85 1.42 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.238 -0.914 . . . . 0.0 110.178 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 22.0 mm-40 -51.32 -30.89 19.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.255 -0.903 . . . . 0.0 110.035 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.14 -47.37 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.325 -0.859 . . . . 0.0 110.12 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.447 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 16.2 mm-40 -56.35 -48.69 76.28 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.366 -0.834 . . . . 0.0 109.426 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.3 t70 -74.17 -60.91 2.05 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.58 -0.7 . . . . 0.0 110.485 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 11' ' ' GLU . . . -41.66 -42.07 2.41 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.225 -0.922 . . . . 0.0 110.159 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -63.86 -59.64 4.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.235 -0.916 . . . . 0.0 108.743 179.321 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.612 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 35.7 mmm-85 -51.89 -37.59 52.94 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.776 -1.169 . . . . 0.0 108.455 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 6.3 tp10 -53.72 -40.94 66.52 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.946 ' CZ ' ' CE1' ' A' ' 26' ' ' PHE . 25.6 t80 -71.12 -56.14 6.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 18' ' ' ALA . 49.0 t -50.72 -21.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 C-N-CA 118.841 -1.144 . . . . 0.0 108.146 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.57 -27.4 37.49 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 38' ' ' LEU . 11.3 p -96.79 -43.53 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-O 121.964 0.888 . . . . 0.0 110.503 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.015 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -83.71 -17.91 39.7 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.09 26.97 64.23 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.879 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -102.37 -165.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.566 -1.254 . . . . 0.0 110.791 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 1.5 pm0 -83.99 -166.17 1.34 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.789 0.804 . . . . 0.0 109.31 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -81.99 -47.08 13.11 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.782 0.801 . . . . 0.0 109.7 179.083 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -62.22 -47.64 83.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.872 -0.518 . . . . 0.0 111.383 -178.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.766 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.23 -46.74 75.98 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.944 -1.097 . . . . 0.0 109.411 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -69.05 -56.43 7.78 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.057 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.666 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -51.78 -21.39 2.77 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.948 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -68.4 -64.9 0.77 Allowed 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.468 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.969 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -85.24 -14.41 46.82 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.385 -1.326 . . . . 0.0 110.385 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.46 -63.96 0.99 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.399 177.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.679 ' HG3' ' H ' ' A' ' 29' ' ' SER . 2.6 pp20? -56.77 -47.47 80.06 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.115 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.679 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.2 t -50.38 -34.65 24.93 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.934 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -105.87 3.51 28.68 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.473 -0.767 . . . . 0.0 111.351 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.39 44.13 4.11 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.832 ' CB ' HD23 ' A' ' 27' ' ' LEU . 19.4 m95 38.37 27.44 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.813 -0.816 . . . . 0.0 110.612 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.779 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -90.68 137.08 32.64 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.102 178.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -75.17 -53.64 8.48 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.521 -0.737 . . . . 0.0 110.654 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -34.84 -49.11 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 109.936 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.916 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.4 tt -79.8 -62.1 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.503 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.916 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -55.35 -50.42 69.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.579 -0.701 . . . . 0.0 109.791 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.073 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.58 -50.34 72.21 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.244 -0.91 . . . . 0.0 109.07 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -51.95 -27.94 14.92 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.91 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -67.8 -63.62 1.02 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.551 -0.718 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 1.015 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.257 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.465 0 O-C-N 121.382 -0.824 . . . . 0.0 110.844 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.234 0.54 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.39 -32.55 11.75 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.176 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -17.02 63.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.2 mt-10 -53.3 -36.11 60.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.865 . . . . 0.0 110.067 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.595 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.7 mpt_? -53.82 -45.62 70.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 110.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.2 mm-40 -66.31 -55.25 16.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 4.6 t70 -67.28 -49.47 64.16 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.264 -0.898 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -50.58 -60.6 2.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.159 -0.963 . . . . 0.0 110.335 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 1.1 pp -54.13 -38.43 65.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.108 -0.995 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 23.4 mmm-85 -57.61 -44.71 85.66 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.722 -1.236 . . . . 0.0 108.757 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -49.11 -41.54 36.22 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.741 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.1 t80 -65.82 -53.24 42.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 18' ' ' ALA . 55.9 t -47.62 -23.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.61 -31.53 36.62 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.97 HG11 HD11 ' A' ' 38' ' ' LEU . 13.2 t -82.89 -50.43 15.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.189 0.995 . . . . 0.0 109.98 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.0 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -89.52 -17.72 28.05 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.553 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 72.76 17.74 78.42 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.005 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -71.13 -170.51 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.187 -1.184 . . . . 0.0 110.669 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.831 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -101.22 144.08 30.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.614 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -32.05 -47.26 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.806 179.017 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.566 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -80.26 -42.54 22.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.299 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.831 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.87 -51.07 68.85 Favored 'General case' 0 C--N 1.307 -1.248 0 O-C-N 120.315 -1.49 . . . . 0.0 109.574 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.837 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -60.08 -57.57 12.27 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.198 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.652 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.2 ttt180 -44.41 -29.76 0.74 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.681 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.03 -64.23 0.91 Allowed 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.384 -0.927 . . . . 0.0 108.91 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.725 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p90 -93.13 -10.72 34.91 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.286 -0.966 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.985 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.24 -53.39 49.81 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.75 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.9 pp20? -73.16 -45.23 57.79 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.615 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.9 t -43.9 -35.59 2.05 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.809 0.814 . . . . 0.0 109.149 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.61 5.76 47.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.833 -0.542 . . . . 0.0 110.818 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.43 40.01 5.19 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.985 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.36 31.4 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.859 0.838 . . . . 0.0 109.841 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 36' ' ' ILE . 5.5 t0 -87.81 153.57 21.23 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.415 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -92.36 -37.68 12.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 110.858 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -61.37 2.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.93 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.887 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.8 tt -66.06 -59.09 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 0.0 110.802 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.887 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -43.07 -38.91 2.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.635 0.731 . . . . 0.0 109.304 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.97 HD11 HG11 ' A' ' 15' ' ' VAL . 12.8 mt -65.51 -55.17 19.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.545 -0.722 . . . . 0.0 109.806 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.03 5.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.526 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ASP . 45.2 t -63.01 -61.07 2.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.372 -0.83 . . . . 0.0 109.984 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.0 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.271 0.1 OUTLIER -42.51 -51.92 4.9 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 110.472 179.185 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.705 ' OH ' HD22 ' A' ' 38' ' ' LEU . 4.0 m-30 -68.48 -49.15 61.85 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.576 -0.703 . . . . 0.0 110.406 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 15.54 3.74 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.198 0.999 . . . . 0.0 110.548 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.7 t70 -71.3 -23.7 62.0 Favored 'General case' 0 C--N 1.28 -2.443 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.42 73.29 0.04 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.542 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.232 0.539 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 6' ' ' GLN . . . -50.83 -34.64 28.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.261 -0.899 . . . . 0.0 110.175 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -67.56 -36.34 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.908 . . . . 0.0 110.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.78 -43.63 81.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.1 mtp180 -58.1 -40.03 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 110.134 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 20.9 mm-40 -70.12 -55.26 9.87 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.9 t70 -68.38 -57.59 5.66 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.848 . . . . 0.0 110.374 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.05 -51.91 7.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.783 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.083 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.61 -55.38 34.04 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.047 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 1.083 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.1 mmm180 -53.02 -40.03 63.59 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.44 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.643 ' OE2' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.69 -35.59 31.77 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 176.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.858 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.0 t80 -74.04 -52.16 13.56 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.923 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 18' ' ' ALA . 45.9 t -58.12 -20.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -82.62 -26.39 32.27 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HD11 ' A' ' 38' ' ' LEU . 11.6 p -101.65 -43.85 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 121.395 -0.816 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -84.52 -22.33 30.2 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 70.77 19.53 76.8 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 22' ' ' ARG . . . -77.44 -179.88 6.04 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.653 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.71 ' CB ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -80.07 143.44 34.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.593 -0.692 . . . . 0.0 110.452 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -37.12 -52.93 1.02 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.553 -0.717 . . . . 0.0 110.532 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.62 -32.58 36.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.597 -0.69 . . . . 0.0 112.119 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.974 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.69 -60.79 3.14 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.844 -1.16 . . . . 0.0 108.819 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -54.36 -51.73 63.86 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -48.72 -29.59 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.148 -0.97 . . . . 0.0 109.869 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.52 -61.96 1.71 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.323 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.776 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 10.1 p90 -89.75 -11.65 41.64 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.082 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.06 -50.8 66.97 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 176.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.868 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 21.7 pt-20 -72.45 -46.64 54.06 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.686 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.654 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.8 t -43.73 -35.12 1.72 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.806 0.812 . . . . 0.0 109.07 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -97.38 6.07 48.83 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.229 0.538 . . . . 0.0 110.821 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 89.7 38.68 6.47 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.082 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.06 30.19 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.769 0.795 . . . . 0.0 110.116 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.706 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.9 t70 -99.39 150.54 22.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.647 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 4.1 mp -83.31 -57.87 3.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 110.917 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.634 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -34.77 -52.04 0.51 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.043 . . . . 0.0 110.407 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.6 tt -76.78 -61.06 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.951 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -58.28 -52.47 65.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.967 HD11 ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.08 -44.86 79.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.51 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -50.69 -40.96 55.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.764 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.597 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -63.03 -58.32 7.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.069 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.025 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.27 0.1 OUTLIER -41.68 -52.67 3.8 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.32 -0.863 . . . . 0.0 110.634 179.197 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.5 m-30 -76.02 -46.93 26.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.429 -0.794 . . . . 0.0 110.463 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 40' ' ' SER . 1.1 mt-10 -117.69 148.15 42.25 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.255 -0.903 . . . . 0.0 110.559 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -105.66 -0.19 25.81 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' O ' ' OXT' ' A' ' 46' ' ' GLY . . . 108.05 45.73 1.07 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' OXT' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 118.024 -1.431 . . . . 0.0 109.548 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.76 -22.14 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.34 -18.43 58.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 88.3 mt-10 -63.9 -53.1 55.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 110.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 15.1 mtp180 -47.4 -47.96 26.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 4.1 mm100 -69.45 -57.29 5.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.431 -0.793 . . . . 0.0 110.446 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.38 -57.96 5.08 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.38 -52.9 7.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.199 -0.938 . . . . 0.0 109.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.08 -53.41 58.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.749 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 1.03 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.8 mmm180 -49.72 -38.41 33.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.518 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.948 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 9.1 tp10 -51.36 -41.91 60.96 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 16' ' ' THR . 2.4 t80 -65.32 -56.62 11.63 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.747 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 75.8 t -47.1 -26.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.93 -36.61 78.18 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.034 ' CG1' HD21 ' A' ' 38' ' ' LEU . 6.2 t -87.46 -53.98 8.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.87 0.843 . . . . 0.0 110.686 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 18' ' ' ALA . 3.0 t -80.88 -34.26 33.74 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.387 1.089 . . . . 0.0 109.635 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.747 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.66 15.49 66.53 Favored Glycine 0 C--N 1.284 -2.353 0 N-CA-C 105.399 -3.081 . . . . 0.0 105.399 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.917 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -54.96 -173.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.57 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -89.36 138.52 31.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.162 -0.962 . . . . 0.0 108.481 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.1 -47.29 0.1 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.245 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.539 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 27.6 m-20 -82.34 -43.26 17.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.882 -0.511 . . . . 0.0 112.264 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -56.07 -50.27 71.47 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.434 -1.417 . . . . 0.0 109.576 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -62.23 -57.7 10.47 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.643 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.19 -24.57 1.19 Allowed 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.482 179.187 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -66.64 -63.68 1.02 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.286 -0.884 . . . . 0.0 108.935 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 27.8 p90 -91.11 -13.82 32.35 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.273 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.994 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -63.31 -54.57 34.97 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -72.88 -44.81 60.87 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.575 0.702 . . . . 0.0 111.05 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.616 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.7 t -43.6 -37.2 2.43 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.885 0.85 . . . . 0.0 109.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -95.93 6.3 49.19 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.3 39.46 6.01 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.994 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER 35.17 30.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.851 0.834 . . . . 0.0 109.816 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.704 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.6 t70 -93.47 150.16 20.66 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.527 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -85.16 -53.61 5.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.146 -0.971 . . . . 0.0 110.742 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.655 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 2.5 mp0 -35.07 -50.34 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.944 -1.097 . . . . 0.0 109.865 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.907 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.1 tt -79.86 -61.64 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 0.0 110.726 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.907 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.73 -51.91 67.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 109.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.034 HD21 ' CG1' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -57.43 -50.28 73.52 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.856 . . . . 0.0 109.522 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.5 -28.4 5.39 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.565 -0.854 . . . . 0.0 109.15 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' ALA . 8.5 t -73.46 -65.33 0.83 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 111.02 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -50.98 -43.77 60.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 111.161 -179.757 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 38' ' ' LEU . 4.7 m-85 -72.17 -35.48 69.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.288 -0.882 . . . . 0.0 110.851 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 6.5 mm-40 -90.29 15.12 11.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.933 -1.104 . . . . 0.0 110.206 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -79.26 -1.88 38.62 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.2 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.87 76.65 0.07 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.606 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.278 0.561 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.03 57.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.195 -0.941 . . . . 0.0 110.235 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.13 -35.17 79.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 0.0 110.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 47.2 mm-40 -55.89 -41.21 74.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.89 . . . . 0.0 110.116 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' HD3' ' CE3' ' A' ' 32' ' ' TRP . 2.3 mmt-85 -51.06 -38.71 53.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.0 110.142 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.507 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.5 mm100 -72.35 -62.49 1.42 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.394 -0.816 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.0 t70 -61.68 -45.02 95.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.407 -0.808 . . . . 0.0 110.431 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -53.6 -61.67 2.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -53.41 -37.94 62.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.035 -1.041 . . . . 0.0 109.277 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 19.1 mmm180 -57.1 -46.94 82.17 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.668 -1.27 . . . . 0.0 108.995 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -47.72 -40.25 19.8 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.336 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.778 ' HA ' HG12 ' A' ' 15' ' ' VAL . 5.2 t80 -65.91 -52.62 48.35 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.792 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 71.6 t -51.34 -24.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -74.12 -30.57 62.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.954 ' CG2' HD21 ' A' ' 38' ' ' LEU . 14.7 p -99.14 -43.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 121.897 0.856 . . . . 0.0 110.801 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.924 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -92.94 -8.72 42.39 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.792 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 45.43 23.24 0.77 Allowed Glycine 0 N--CA 1.486 2.024 0 N-CA-C 108.426 -1.87 . . . . 0.0 108.426 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.991 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -63.56 -158.92 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.857 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.928 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -107.41 146.28 31.88 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.605 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.661 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.21 -47.22 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.739 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.614 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 20.7 m-20 -85.92 -38.0 18.49 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.928 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.59 -44.97 94.98 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.077 -1.64 . . . . 0.0 108.998 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.991 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -65.37 -59.47 3.99 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 1.7 ttp85 -49.15 -21.02 0.67 Allowed 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 119.121 -1.031 . . . . 0.0 109.148 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.617 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.62 -63.46 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.533 -0.729 . . . . 0.0 109.039 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 12' ' ' PHE . 17.0 p90 -92.36 -13.0 30.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.053 -1.459 . . . . 0.0 109.496 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.018 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -59.65 -55.74 30.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 20.6 pt-20 -72.57 -46.92 52.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.432 0.634 . . . . 0.0 111.186 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.628 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 1.6 t -42.89 -31.97 0.57 Allowed 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.823 0.82 . . . . 0.0 109.132 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -104.25 5.23 34.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.819 -0.551 . . . . 0.0 110.945 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 94.04 40.09 4.69 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.018 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.9 m95 35.42 31.01 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.939 0.876 . . . . 0.0 109.935 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.608 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 2.3 t70 -90.4 160.78 15.89 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.586 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.686 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.14 -44.6 8.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 110.391 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -52.32 -68.97 0.13 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.28 -0.888 . . . . 0.0 111.333 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.861 HG23 ' H ' ' A' ' 37' ' ' ALA . 4.0 tt -61.14 -58.31 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.509 -0.744 . . . . 0.0 110.856 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -45.04 -40.68 6.87 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.783 0.801 . . . . 0.0 108.979 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.954 HD21 ' CG2' ' A' ' 15' ' ' VAL . 20.5 mt -63.68 -45.47 89.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -45.72 -40.71 9.71 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.586 -0.845 . . . . 0.0 108.743 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 1.7 m -63.14 -69.93 0.24 Allowed 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.421 -0.799 . . . . 0.0 109.542 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.924 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER -37.08 -39.51 0.25 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.428 -0.795 . . . . 0.0 112.001 179.187 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.659 ' CD1' ' HB3' ' A' ' 41' ' ' PHE . 7.8 m-85 -94.31 -42.63 8.81 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 111.279 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 39' ' ' ALA . 5.4 mm-40 -85.78 14.54 5.76 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.049 -1.032 . . . . 0.0 110.575 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 40' ' ' SER . 11.2 t70 -95.05 9.46 39.42 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.161 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.3 73.0 0.04 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 118.027 -1.429 . . . . 0.0 109.546 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.277 0.561 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.57 -32.01 0.51 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.933 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -31.43 18.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 0.0 110.22 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 mt-10 -55.29 -37.59 67.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.873 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 30.1 mtp85 -55.44 -41.48 72.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.486 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 3.1 mm100 -69.31 -56.96 6.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.52 -55.14 16.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.386 -0.821 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.96 -56.55 4.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.044 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.119 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.31 -50.95 71.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 108.677 179.208 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 1.119 ' N ' HD13 ' A' ' 9' ' ' LEU . 6.3 mmm180 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.734 -1.228 . . . . 0.0 108.734 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -50.56 -37.96 42.44 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 176.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.847 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.1 t80 -70.3 -56.11 7.53 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.967 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 18' ' ' ALA . 25.2 t -53.56 -23.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.148 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -78.53 -27.0 45.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.112 HG21 HD11 ' A' ' 38' ' ' LEU . 12.9 p -104.69 -43.14 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.376 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -77.1 -19.08 57.47 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.52 20.51 69.9 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.898 ' H ' HG22 ' A' ' 16' ' ' THR . . . -92.75 -171.04 2.61 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.547 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.841 ' CG ' ' HB2' ' A' ' 22' ' ' ARG . 10.8 pm0 -89.1 -174.46 4.45 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.66 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -70.19 -51.29 32.2 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.633 0.73 . . . . 0.0 110.65 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.79 -40.58 79.57 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' CG ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -59.1 -54.03 51.68 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.314 -1.491 . . . . 0.0 109.356 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.892 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -61.36 -54.95 37.12 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.286 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.674 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.04 -29.95 1.67 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.968 -1.083 . . . . 0.0 109.76 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -64.71 -64.52 0.85 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.599 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.743 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 14.7 p90 -92.95 -11.75 32.52 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.42 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -64.24 -55.2 23.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.545 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.737 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.6 pp20? -72.31 -45.86 58.18 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.459 0.647 . . . . 0.0 111.078 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.625 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 t -43.67 -36.31 2.13 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.808 0.814 . . . . 0.0 109.25 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 36' ' ' ILE . . . -97.33 6.2 48.69 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.203 0.525 . . . . 0.0 110.945 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.77 40.23 5.34 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.981 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.7 31.19 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 121.905 0.86 . . . . 0.0 110.064 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.681 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.6 t0 -94.84 149.18 21.52 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.504 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 6.4 mp -84.27 -56.52 3.6 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.233 -0.917 . . . . 0.0 110.929 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.704 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 9.7 pt20 -34.81 -45.97 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.184 -0.947 . . . . 0.0 110.513 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.951 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.9 tt -79.91 -63.93 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.93 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.951 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.64 -49.69 74.25 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.852 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.112 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -58.9 -48.24 82.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 0.0 109.858 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -43.57 -59.98 1.95 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.344 -0.848 . . . . 0.0 109.93 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' GLY . 32.3 m -51.41 -52.29 47.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.538 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 16' ' ' THR 0.253 0.1 OUTLIER -46.04 -64.51 0.73 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 110.422 179.57 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.7 m-85 -68.5 -35.21 77.18 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.298 -0.876 . . . . 0.0 109.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.612 ' C ' ' H ' ' A' ' 45' ' ' GLY . 25.9 mm-40 -67.89 178.08 1.9 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.31 -0.869 . . . . 0.0 110.546 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.31 2.97 0.12 Allowed 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 43' ' ' GLU . . . -100.17 33.74 6.08 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.486 2.003 0 CA-C-O 118.017 -1.435 . . . . 0.0 109.538 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.227 0.537 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -50.74 -68.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.34 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 22.6 pt-20 -42.92 -42.87 3.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.235 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.9 -43.09 81.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.283 -0.885 . . . . 0.0 110.113 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -54.15 -36.75 63.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.26 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.1 mm100 -67.8 -60.77 2.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.38 -0.825 . . . . 0.0 109.586 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -68.13 -30.67 69.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.56 -0.713 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -59.92 -62.18 2.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.058 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.78 ' HA ' HD11 ' A' ' 27' ' ' LEU . 3.9 pp -54.75 -39.44 68.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.708 HH11 HG11 ' A' ' 13' ' ' VAL . 23.6 mmm180 -56.22 -37.58 69.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.892 -1.13 . . . . 0.0 109.604 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.988 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 tp10 -57.47 -43.78 84.31 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CE2' ' HB1' ' A' ' 37' ' ' ALA . 4.4 t80 -68.11 -55.69 11.54 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.927 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 18' ' ' ALA . 73.8 t -49.24 -23.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -79.55 -29.45 41.36 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.988 HG13 ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -94.76 -44.1 13.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-O 121.888 0.851 . . . . 0.0 110.724 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.072 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -88.6 -18.24 28.44 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 66.29 19.68 68.64 Favored Glycine 0 N--CA 1.479 1.507 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.927 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.06 -175.36 4.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.787 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.595 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -89.3 148.99 23.25 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.329 0.585 . . . . 0.0 110.652 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -39.95 -51.09 2.52 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.674 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -76.38 -34.62 58.88 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.808 -0.557 . . . . 0.0 111.674 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -58.42 -55.12 39.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.762 -1.212 . . . . 0.0 109.349 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.023 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -56.99 -55.04 39.81 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 21.4 ttt180 -45.06 -34.74 2.68 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.5 m-85 -66.1 -61.3 2.11 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.541 -0.863 . . . . 0.0 110.012 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 15.0 p90 -89.93 -9.27 49.48 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.879 -1.129 . . . . 0.0 110.61 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.025 HD23 ' HA ' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.13 -56.86 11.84 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.675 ' HG3' ' N ' ' A' ' 29' ' ' SER . 23.1 pt-20 -62.82 -46.46 87.82 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.105 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.675 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.4 t -45.11 -34.17 2.51 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.694 0.759 . . . . 0.0 109.5 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -106.81 3.52 26.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.605 -0.684 . . . . 0.0 111.306 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 88.13 40.83 6.43 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.025 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 m95 37.76 27.63 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.82 -0.812 . . . . 0.0 110.705 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.824 ' HB3' HG12 ' A' ' 36' ' ' ILE . 1.2 t70 -94.12 144.72 25.24 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.198 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.936 HD21 HG11 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -77.03 -61.95 1.81 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.231 -0.918 . . . . 0.0 110.855 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.732 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.8 mm-40 -35.07 -36.97 0.06 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.87 -1.143 . . . . 0.0 109.778 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.824 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.1 mm -86.75 -70.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-O 122.264 1.031 . . . . 0.0 109.124 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.814 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -48.21 -48.33 35.01 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.991 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -63.98 -51.92 62.04 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.856 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.52 -37.67 27.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -0.916 . . . . 0.0 109.89 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.592 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -63.11 -56.36 17.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.206 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.072 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER -42.08 -50.68 4.69 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.2 -0.937 . . . . 0.0 110.439 179.141 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.0 m-30 -81.08 -48.16 12.55 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.49 -0.756 . . . . 0.0 110.401 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 40' ' ' SER . 2.2 mt-10 -108.74 149.62 28.76 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.338 -0.851 . . . . 0.0 110.644 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.47 -1.67 19.38 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.65 80.75 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 117.922 -1.488 . . . . 0.0 109.586 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 2' ' ' ALA . 3.5 mtt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.261 0.553 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.78 -30.95 0.43 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 110.239 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.08 -28.37 67.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.221 -0.924 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.689 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.7 mm-40 -61.16 -50.54 72.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.306 -0.871 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -49.45 -48.7 47.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 4.1 mm100 -69.24 -55.86 9.3 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.461 -0.775 . . . . 0.0 110.567 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.34 -59.4 2.89 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 110.609 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -47.14 -54.4 10.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.857 HD11 ' CA ' ' A' ' 24' ' ' ARG . 7.2 tt -58.11 -47.5 83.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 108.962 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 11.5 mmm180 -54.13 -43.63 70.66 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.811 -1.181 . . . . 0.0 108.804 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -48.59 -39.8 25.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 177.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.953 ' CZ ' ' HB1' ' A' ' 37' ' ' ALA . 7.1 t80 -66.64 -55.33 15.77 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.785 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 88.3 t -48.19 -25.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.33 -38.36 81.45 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.08 ' CG2' HD21 ' A' ' 38' ' ' LEU . 7.5 p -88.78 -49.48 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.916 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 12' ' ' PHE . 1.8 t -83.12 -34.22 26.13 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.516 1.151 . . . . 0.0 109.181 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.785 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.63 16.68 68.05 Favored Glycine 0 C--N 1.282 -2.42 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -57.33 -175.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.805 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.909 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -91.4 141.94 28.21 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.26 -47.8 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.2 -1.0 . . . . 0.0 108.924 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.548 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 7.1 m-20 -80.01 -45.88 17.59 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.91 -0.494 . . . . 0.0 111.637 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.909 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -59.35 -44.13 92.72 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.577 -1.327 . . . . 0.0 109.401 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -63.86 -56.82 12.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.857 ' CA ' HD11 ' A' ' 9' ' ' LEU . 1.2 ttm180 -49.76 -23.11 1.65 Allowed 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.124 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.35 -62.82 1.27 Allowed 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.76 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 20.5 p90 -92.06 -13.49 30.79 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.168 -1.413 . . . . 0.0 110.04 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.003 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -62.64 -57.15 12.06 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -70.98 -45.11 64.61 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.398 0.618 . . . . 0.0 111.326 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.623 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 3.0 t -43.77 -37.86 2.93 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.84 0.829 . . . . 0.0 109.107 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -96.85 6.36 48.81 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.322 0.582 . . . . 0.0 110.669 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.06 42.62 4.94 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.003 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.2 m95 35.57 31.31 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.982 0.896 . . . . 0.0 109.754 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 36' ' ' ILE . 47.6 t0 -87.37 165.01 15.91 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.663 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.703 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.56 -62.44 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.256 -0.902 . . . . 0.0 110.719 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' C ' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -48.89 -33.62 11.07 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.379 -0.826 . . . . 0.0 110.908 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.793 HD13 ' N ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -81.51 -71.02 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 122.204 1.002 . . . . 0.0 109.419 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.953 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -41.08 -34.89 0.48 Allowed 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.08 HD21 ' CG2' ' A' ' 15' ' ' VAL . 13.2 mt -65.92 -51.47 58.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -43.77 -31.63 0.86 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -71.2 -70.68 0.3 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.57 -0.706 . . . . 0.0 109.828 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.76 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.256 0.1 OUTLIER -42.85 -47.89 5.66 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 110.791 179.117 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CE1' HD22 ' A' ' 38' ' ' LEU . 27.1 m-85 -80.16 -40.43 27.34 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.615 -0.678 . . . . 0.0 110.413 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 40' ' ' SER . 3.3 mm-40 -125.69 152.31 45.45 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.029 0.919 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -119.7 -1.92 10.5 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . . . 129.66 71.03 0.12 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.977 -1.457 . . . . 0.0 109.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 66.1 mtm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.323 0.582 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.31 -28.28 18.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 0.0 110.246 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.52 64.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -63.73 -52.23 61.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.713 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -44.03 -47.8 8.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.123 -0.986 . . . . 0.0 110.39 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 6' ' ' GLN . 2.3 mm100 -70.69 -60.32 2.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.389 -0.819 . . . . 0.0 110.278 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -63.37 -51.42 65.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.408 -0.808 . . . . 0.0 110.325 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -48.62 -63.01 1.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 110.136 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -56.14 -39.84 72.89 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.023 -1.048 . . . . 0.0 109.39 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.589 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 7.4 mmm180 -57.04 -42.59 80.74 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.717 -1.239 . . . . 0.0 108.385 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.808 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 tp10 -49.12 -42.35 38.93 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 13.5 t80 -67.55 -56.96 7.42 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.698 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 53.0 t -47.33 -23.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 118.778 -1.169 . . . . 0.0 107.884 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -77.77 -30.6 51.49 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 38' ' ' LEU . 14.6 p -92.53 -42.64 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 122.092 0.949 . . . . 0.0 110.217 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.139 HG23 ' CZ ' ' A' ' 41' ' ' PHE 0.251 0.3 OUTLIER -89.41 -18.93 25.83 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.698 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.698 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.78 22.74 60.18 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.944 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.19 -173.17 3.1 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.429 -1.309 . . . . 0.0 110.89 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -87.84 145.01 26.28 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.197 0.522 . . . . 0.0 110.395 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -33.29 -51.08 0.33 Allowed 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.678 0.752 . . . . 0.0 109.779 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -74.27 -47.26 36.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.806 -0.559 . . . . 0.0 111.447 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.675 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -51.25 -46.38 62.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.846 -1.159 . . . . 0.0 109.326 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.782 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.12 -62.13 1.65 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -46.98 -22.68 0.35 Allowed 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.158 178.647 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.606 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -66.65 -64.44 0.86 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.383 -0.823 . . . . 0.0 108.973 179.347 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -87.97 -15.21 37.12 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.689 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.98 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -60.03 -60.87 3.14 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.772 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.763 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -69.95 -45.75 66.77 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.403 0.621 . . . . 0.0 111.55 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -43.43 -36.14 1.85 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.9 0.857 . . . . 0.0 109.442 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -101.44 5.33 41.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.773 -0.58 . . . . 0.0 110.813 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 95.48 44.2 3.25 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.98 ' HA ' HD22 ' A' ' 27' ' ' LEU . 3.1 m95 36.18 32.28 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.103 0.954 . . . . 0.0 109.87 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.665 ' HB3' HG12 ' A' ' 36' ' ' ILE . 45.2 t0 -89.43 163.84 15.11 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.471 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.672 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -92.92 -62.81 1.31 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.178 -0.951 . . . . 0.0 111.311 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.32 -33.5 9.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.223 -0.923 . . . . 0.0 111.362 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.816 HD13 ' N ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -78.26 -71.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-O 122.225 1.012 . . . . 0.0 109.819 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.885 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . . . -49.34 -37.96 26.42 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 15' ' ' VAL . 52.0 mt -59.24 -50.44 74.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.764 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -47.67 -40.85 21.0 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.331 -0.855 . . . . 0.0 108.742 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 m -55.01 -60.56 3.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.259 -0.9 . . . . 0.0 109.401 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.139 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.264 0.1 OUTLIER -37.41 -53.18 1.14 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.475 -0.766 . . . . 0.0 110.899 178.84 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 17.3 m-85 -82.55 -44.35 15.99 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.563 -0.711 . . . . 0.0 109.842 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.621 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.4 mm-40 -70.36 172.47 8.24 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.42 -0.8 . . . . 0.0 110.307 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.68 -1.03 0.33 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.558 ' H ' ' C ' ' A' ' 43' ' ' GLU . . . 97.9 75.62 1.23 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.627 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.211 0.529 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.29 -40.07 2.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.218 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.57 -38.11 9.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.207 -0.933 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.1 mm-40 -56.63 -42.6 79.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.211 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 27.3 mtp180 -52.64 -38.85 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -0.892 . . . . 0.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 6.3 mm100 -68.12 -59.75 3.0 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.412 -0.805 . . . . 0.0 109.737 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ALA . 7.9 t0 -70.22 -58.49 3.72 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.453 -0.779 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.59 -38.63 4.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 110.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -64.69 -58.78 5.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.256 -0.903 . . . . 0.0 108.841 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 1.057 ' N ' HD13 ' A' ' 9' ' ' LEU . 15.6 mmm180 -55.12 -38.9 68.78 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.671 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 11.1 tp10 -53.98 -38.15 64.72 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.841 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 3.0 t80 -73.04 -52.66 13.53 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 18' ' ' ALA . 72.8 t -55.64 -21.99 11.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -79.64 -27.27 40.93 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 12' ' ' PHE . 14.5 p -101.3 -43.68 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.079 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -90.3 -13.68 34.74 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 62.59 18.04 58.27 Favored Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.93 ' H ' HG22 ' A' ' 16' ' ' THR . . . -73.35 -165.27 0.24 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -1.143 . . . . 0.0 110.501 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.802 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -105.22 140.11 38.87 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.527 -0.733 . . . . 0.0 109.098 179.406 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.9 -46.18 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.265 -0.974 . . . . 0.0 108.707 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.564 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -78.49 -39.2 38.97 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.201 -179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.802 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.68 -55.01 39.7 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.459 -1.401 . . . . 0.0 109.419 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.951 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.07 -52.46 64.19 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.831 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 1.1 ttm180 -46.5 -35.31 5.56 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.258 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -62.4 1.6 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.637 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.77 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 18.5 p90 -89.01 -9.71 50.3 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.061 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.951 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.5 mt -59.75 -63.22 1.38 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 13.3 pt-20 -62.34 -44.72 95.83 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.246 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.666 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.2 t -41.42 -35.71 0.72 Allowed 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -108.1 3.01 23.42 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.301 0.572 . . . . 0.0 110.571 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.98 47.81 3.52 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.748 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 16.7 m95 34.68 30.9 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.934 0.873 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.666 ' HB3' HG12 ' A' ' 36' ' ' ILE . 17.9 t0 -86.2 156.53 20.27 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.78 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.752 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -88.44 -62.44 1.49 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.88 . . . . 0.0 110.439 -179.353 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -50.68 -38.7 48.34 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.191 -0.943 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.756 HD13 ' N ' ' A' ' 36' ' ' ILE . 1.2 mm -74.24 -70.22 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-O 122.391 1.091 . . . . 0.0 109.134 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -44.98 -38.75 4.97 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.892 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 34.4 mt -62.67 -51.53 66.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.529 -0.732 . . . . 0.0 109.502 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -42.99 -47.0 5.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.371 -0.83 . . . . 0.0 109.548 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -58.12 -62.6 1.7 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.342 -0.849 . . . . 0.0 109.615 179.544 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.079 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.286 0.1 OUTLIER -39.32 -40.03 0.73 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.856 0.836 . . . . 0.0 110.148 178.604 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.4 m-85 -83.1 -33.07 26.43 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.587 0.708 . . . . 0.0 109.953 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.2 OUTLIER 55.6 19.95 3.58 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.728 1.252 . . . . 0.0 109.605 179.342 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.22 35.07 0.38 Allowed 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.8 69.18 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.951 -1.472 . . . . 0.0 109.597 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.322 0.582 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.486 ' HB1' ' NH1' ' A' ' 5' ' ' ARG . . . -49.69 -26.05 3.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.217 -0.927 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -32.85 1.42 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.238 -0.914 . . . . 0.0 110.178 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 22.0 mm-40 -51.32 -30.89 19.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.255 -0.903 . . . . 0.0 110.035 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.14 -47.37 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.325 -0.859 . . . . 0.0 110.12 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.447 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 16.2 mm-40 -56.35 -48.69 76.28 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.366 -0.834 . . . . 0.0 109.426 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.3 t70 -74.17 -60.91 2.05 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.58 -0.7 . . . . 0.0 110.485 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 11' ' ' GLU . . . -41.66 -42.07 2.41 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.225 -0.922 . . . . 0.0 110.159 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -63.86 -59.64 4.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.235 -0.916 . . . . 0.0 108.743 179.321 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.612 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 35.7 mmm-85 -51.89 -37.59 52.94 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.776 -1.169 . . . . 0.0 108.455 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 6.3 tp10 -53.72 -40.94 66.52 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.946 ' CZ ' ' CE1' ' A' ' 26' ' ' PHE . 25.6 t80 -71.12 -56.14 6.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 18' ' ' ALA . 49.0 t -50.72 -21.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 C-N-CA 118.841 -1.144 . . . . 0.0 108.146 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.57 -27.4 37.49 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 38' ' ' LEU . 11.3 p -96.79 -43.53 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-O 121.964 0.888 . . . . 0.0 110.503 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.015 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -83.71 -17.91 39.7 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.09 26.97 64.23 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.879 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -102.37 -165.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.566 -1.254 . . . . 0.0 110.791 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 1.5 pm0 -83.99 -166.17 1.34 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.789 0.804 . . . . 0.0 109.31 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -81.99 -47.08 13.11 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.782 0.801 . . . . 0.0 109.7 179.083 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -62.22 -47.64 83.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.872 -0.518 . . . . 0.0 111.383 -178.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.766 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.23 -46.74 75.98 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.944 -1.097 . . . . 0.0 109.411 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -69.05 -56.43 7.78 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.057 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.666 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -51.78 -21.39 2.77 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.948 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -68.4 -64.9 0.77 Allowed 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.468 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.969 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -85.24 -14.41 46.82 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.385 -1.326 . . . . 0.0 110.385 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.46 -63.96 0.99 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.399 177.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.679 ' HG3' ' H ' ' A' ' 29' ' ' SER . 2.6 pp20? -56.77 -47.47 80.06 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.115 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.679 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.2 t -50.38 -34.65 24.93 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.934 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -105.87 3.51 28.68 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.473 -0.767 . . . . 0.0 111.351 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.39 44.13 4.11 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.832 ' CB ' HD23 ' A' ' 27' ' ' LEU . 19.4 m95 38.37 27.44 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.813 -0.816 . . . . 0.0 110.612 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.779 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -90.68 137.08 32.64 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.102 178.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -75.17 -53.64 8.48 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.521 -0.737 . . . . 0.0 110.654 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -34.84 -49.11 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 109.936 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.916 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.4 tt -79.8 -62.1 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.503 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.916 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -55.35 -50.42 69.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.579 -0.701 . . . . 0.0 109.791 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.073 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.58 -50.34 72.21 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.244 -0.91 . . . . 0.0 109.07 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -51.95 -27.94 14.92 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.91 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -67.8 -63.62 1.02 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.551 -0.718 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 1.015 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.257 0.2 OUTLIER -40.03 -50.36 2.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.382 -0.824 . . . . 0.0 110.844 179.427 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-30 -74.22 -47.05 37.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.539 -0.726 . . . . 0.0 110.589 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 37.0 mm-40 -82.13 14.3 2.94 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.174 0.987 . . . . 0.0 110.9 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.4 t70 -99.55 29.88 3.85 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.3 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.91 59.97 0.04 OUTLIER Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 118.02 -1.433 . . . . 0.0 109.525 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.209 0.528 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -17.02 63.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.2 mt-10 -53.3 -36.11 60.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.865 . . . . 0.0 110.067 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.595 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.7 mpt_? -53.82 -45.62 70.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 110.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.2 mm-40 -66.31 -55.25 16.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 4.6 t70 -67.28 -49.47 64.16 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.264 -0.898 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -50.58 -60.6 2.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.159 -0.963 . . . . 0.0 110.335 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 1.1 pp -54.13 -38.43 65.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.108 -0.995 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 23.4 mmm-85 -57.61 -44.71 85.66 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.722 -1.236 . . . . 0.0 108.757 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -49.11 -41.54 36.22 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.741 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.1 t80 -65.82 -53.24 42.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 18' ' ' ALA . 55.9 t -47.62 -23.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.61 -31.53 36.62 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.97 HG11 HD11 ' A' ' 38' ' ' LEU . 13.2 t -82.89 -50.43 15.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.189 0.995 . . . . 0.0 109.98 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.0 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -89.52 -17.72 28.05 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.553 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 72.76 17.74 78.42 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.005 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -71.13 -170.51 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.187 -1.184 . . . . 0.0 110.669 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.831 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -101.22 144.08 30.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.614 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -32.05 -47.26 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.806 179.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.566 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -80.26 -42.54 22.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.299 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.831 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.87 -51.07 68.85 Favored 'General case' 0 C--N 1.307 -1.248 0 O-C-N 120.315 -1.49 . . . . 0.0 109.574 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.837 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -60.08 -57.57 12.27 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.198 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.652 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.2 ttt180 -44.41 -29.76 0.74 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.681 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.03 -64.23 0.91 Allowed 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.384 -0.927 . . . . 0.0 108.91 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.725 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p90 -93.13 -10.72 34.91 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.286 -0.966 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.985 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.24 -53.39 49.81 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.75 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.9 pp20? -73.16 -45.23 57.79 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.615 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.9 t -43.9 -35.59 2.05 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.809 0.814 . . . . 0.0 109.149 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.61 5.76 47.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.833 -0.542 . . . . 0.0 110.818 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.43 40.01 5.19 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.985 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.36 31.4 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.859 0.838 . . . . 0.0 109.841 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 36' ' ' ILE . 5.5 t0 -87.81 153.57 21.23 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.415 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -92.36 -37.68 12.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 110.858 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -61.37 2.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.93 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.887 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.8 tt -66.06 -59.09 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 0.0 110.802 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.887 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -43.07 -38.91 2.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.635 0.731 . . . . 0.0 109.304 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.97 HD11 HG11 ' A' ' 15' ' ' VAL . 12.8 mt -65.51 -55.17 19.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.545 -0.722 . . . . 0.0 109.806 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.03 5.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.526 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' PHE . 45.2 t -63.01 -61.07 2.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.372 -0.83 . . . . 0.0 109.984 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 1.0 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.271 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 110.472 179.185 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 6' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.218 0.532 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -67.56 -36.34 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.908 . . . . 0.0 110.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.78 -43.63 81.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.1 mtp180 -58.1 -40.03 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 110.134 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 5.4 mm100 -70.12 -55.26 9.87 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.9 t70 -68.38 -57.59 5.66 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.848 . . . . 0.0 110.374 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.05 -51.91 7.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.783 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.083 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.61 -55.38 34.04 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.047 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 1.083 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.1 mmm180 -53.02 -40.03 63.59 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.44 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.643 ' OE2' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.69 -35.59 31.77 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 176.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.858 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.0 t80 -74.04 -52.16 13.56 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.923 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 18' ' ' ALA . 45.9 t -58.12 -20.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -82.62 -26.39 32.27 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HD11 ' A' ' 38' ' ' LEU . 11.6 p -101.65 -43.85 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 121.395 -0.816 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -84.52 -22.33 30.2 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 70.77 19.53 76.8 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 22' ' ' ARG . . . -77.44 -179.88 6.04 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.653 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.71 ' CB ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -80.07 143.44 34.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.593 -0.692 . . . . 0.0 110.452 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -37.12 -52.93 1.02 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.553 -0.717 . . . . 0.0 110.532 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.62 -32.58 36.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.597 -0.69 . . . . 0.0 112.119 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.974 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.69 -60.79 3.14 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.844 -1.16 . . . . 0.0 108.819 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -54.36 -51.73 63.86 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -48.72 -29.59 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.148 -0.97 . . . . 0.0 109.869 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.52 -61.96 1.71 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.323 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.776 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 10.1 p90 -89.75 -11.65 41.64 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.082 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.06 -50.8 66.97 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 176.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.868 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 21.7 pt-20 -72.45 -46.64 54.06 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.686 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.654 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.8 t -43.73 -35.12 1.72 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.806 0.812 . . . . 0.0 109.07 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -97.38 6.07 48.83 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.229 0.538 . . . . 0.0 110.821 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 89.7 38.68 6.47 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.082 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.06 30.19 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.769 0.795 . . . . 0.0 110.116 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.706 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.9 t70 -99.39 150.54 22.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.647 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 4.1 mp -83.31 -57.87 3.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 110.917 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.634 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -34.77 -52.04 0.51 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.043 . . . . 0.0 110.407 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.6 tt -76.78 -61.06 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.951 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -58.28 -52.47 65.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.967 HD11 ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.08 -44.86 79.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.51 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -50.69 -40.96 55.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.764 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -63.03 -58.32 7.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.069 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 1.025 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.27 0.1 OUTLIER . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.32 -0.863 . . . . 0.0 110.634 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.214 0.53 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.34 -18.43 58.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 88.3 mt-10 -63.9 -53.1 55.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 110.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 15.1 mtp180 -47.4 -47.96 26.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 4.1 mm100 -69.45 -57.29 5.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.431 -0.793 . . . . 0.0 110.446 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.38 -57.96 5.08 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.38 -52.9 7.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.199 -0.938 . . . . 0.0 109.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.08 -53.41 58.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.749 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 1.03 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.8 mmm180 -49.72 -38.41 33.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.518 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.948 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 9.1 tp10 -51.36 -41.91 60.96 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 16' ' ' THR . 2.4 t80 -65.32 -56.62 11.63 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.747 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 75.8 t -47.1 -26.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.93 -36.61 78.18 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.034 ' CG1' HD21 ' A' ' 38' ' ' LEU . 6.2 t -87.46 -53.98 8.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.87 0.843 . . . . 0.0 110.686 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 18' ' ' ALA . 3.0 t -80.88 -34.26 33.74 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.387 1.089 . . . . 0.0 109.635 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.747 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.66 15.49 66.53 Favored Glycine 0 C--N 1.284 -2.353 0 N-CA-C 105.399 -3.081 . . . . 0.0 105.399 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.917 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -54.96 -173.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.57 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -89.36 138.52 31.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.162 -0.962 . . . . 0.0 108.481 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.1 -47.29 0.1 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.245 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.539 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 27.6 m-20 -82.34 -43.26 17.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.882 -0.511 . . . . 0.0 112.264 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -56.07 -50.27 71.47 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.434 -1.417 . . . . 0.0 109.576 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -62.23 -57.7 10.47 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.643 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.19 -24.57 1.19 Allowed 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.482 179.187 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -66.64 -63.68 1.02 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.286 -0.884 . . . . 0.0 108.935 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 27.8 p90 -91.11 -13.82 32.35 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.273 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.994 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -63.31 -54.57 34.97 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -72.88 -44.81 60.87 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.575 0.702 . . . . 0.0 111.05 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.616 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.7 t -43.6 -37.2 2.43 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.885 0.85 . . . . 0.0 109.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -95.93 6.3 49.19 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.3 39.46 6.01 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.994 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER 35.17 30.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.851 0.834 . . . . 0.0 109.816 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.704 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.6 t70 -93.47 150.16 20.66 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.527 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -85.16 -53.61 5.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.146 -0.971 . . . . 0.0 110.742 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.655 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 2.5 mp0 -35.07 -50.34 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.944 -1.097 . . . . 0.0 109.865 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.907 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.1 tt -79.86 -61.64 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 0.0 110.726 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.907 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.73 -51.91 67.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 109.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.034 HD21 ' CG1' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -57.43 -50.28 73.52 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.856 . . . . 0.0 109.522 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.5 -28.4 5.39 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.565 -0.854 . . . . 0.0 109.15 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' ALA . 8.5 t -73.46 -65.33 0.83 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 111.02 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 111.161 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.251 0.548 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.13 -35.17 79.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 0.0 110.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 47.2 mm-40 -55.89 -41.21 74.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.89 . . . . 0.0 110.116 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.601 ' HD3' ' CE3' ' A' ' 32' ' ' TRP . 2.3 mmt-85 -51.06 -38.71 53.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.0 110.142 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.507 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.9 mm-40 -72.35 -62.49 1.42 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.394 -0.816 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.0 t70 -61.68 -45.02 95.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.407 -0.808 . . . . 0.0 110.431 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -53.6 -61.67 2.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -53.41 -37.94 62.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.035 -1.041 . . . . 0.0 109.277 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 19.1 mmm180 -57.1 -46.94 82.17 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.668 -1.27 . . . . 0.0 108.995 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -47.72 -40.25 19.8 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.778 ' HA ' HG12 ' A' ' 15' ' ' VAL . 5.2 t80 -65.91 -52.62 48.35 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.792 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 71.6 t -51.34 -24.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -74.12 -30.57 62.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.954 ' CG2' HD21 ' A' ' 38' ' ' LEU . 14.7 p -99.14 -43.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 121.897 0.856 . . . . 0.0 110.801 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.924 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -92.94 -8.72 42.39 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.792 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 45.43 23.24 0.77 Allowed Glycine 0 N--CA 1.486 2.024 0 N-CA-C 108.426 -1.87 . . . . 0.0 108.426 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.991 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -63.56 -158.92 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.857 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.928 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -107.41 146.28 31.88 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.661 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.21 -47.22 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.739 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.614 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 20.7 m-20 -85.92 -38.0 18.49 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.928 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.59 -44.97 94.98 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.077 -1.64 . . . . 0.0 108.998 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.991 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -65.37 -59.47 3.99 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 1.7 ttp85 -49.15 -21.02 0.67 Allowed 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 119.121 -1.031 . . . . 0.0 109.148 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.617 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.62 -63.46 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.533 -0.729 . . . . 0.0 109.039 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 12' ' ' PHE . 17.0 p90 -92.36 -13.0 30.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.053 -1.459 . . . . 0.0 109.496 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.018 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -59.65 -55.74 30.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 20.6 pt-20 -72.57 -46.92 52.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.432 0.634 . . . . 0.0 111.186 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.628 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 1.6 t -42.89 -31.97 0.57 Allowed 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.823 0.82 . . . . 0.0 109.132 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -104.25 5.23 34.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.819 -0.551 . . . . 0.0 110.945 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 94.04 40.09 4.69 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.018 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.9 m95 35.42 31.01 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.939 0.876 . . . . 0.0 109.935 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.608 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 2.3 t70 -90.4 160.78 15.89 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.586 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.14 -44.6 8.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 110.391 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -52.32 -68.97 0.13 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.28 -0.888 . . . . 0.0 111.333 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.861 HG23 ' H ' ' A' ' 37' ' ' ALA . 4.0 tt -61.14 -58.31 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.509 -0.744 . . . . 0.0 110.856 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -45.04 -40.68 6.87 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.783 0.801 . . . . 0.0 108.979 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.954 HD21 ' CG2' ' A' ' 15' ' ' VAL . 20.5 mt -63.68 -45.47 89.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -45.72 -40.71 9.71 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.586 -0.845 . . . . 0.0 108.743 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 37' ' ' ALA . 1.7 m -63.14 -69.93 0.24 Allowed 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.421 -0.799 . . . . 0.0 109.542 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.924 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.448 0 O-C-N 121.428 -0.795 . . . . 0.0 112.001 179.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.215 0.531 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -31.43 18.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 0.0 110.22 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 mt-10 -55.29 -37.59 67.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.873 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 30.1 mtp85 -55.44 -41.48 72.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 6' ' ' GLN . 3.1 mm100 -69.31 -56.96 6.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.52 -55.14 16.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.386 -0.821 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.96 -56.55 4.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.044 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.119 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.31 -50.95 71.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 108.677 179.208 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 1.119 ' N ' HD13 ' A' ' 9' ' ' LEU . 6.3 mmm180 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.734 -1.228 . . . . 0.0 108.734 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -50.56 -37.96 42.44 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 176.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.847 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.1 t80 -70.3 -56.11 7.53 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.967 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 18' ' ' ALA . 25.2 t -53.56 -23.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.148 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -78.53 -27.0 45.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.112 HG21 HD11 ' A' ' 38' ' ' LEU . 12.9 p -104.69 -43.14 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.376 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -77.1 -19.08 57.47 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.52 20.51 69.9 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.898 ' H ' HG22 ' A' ' 16' ' ' THR . . . -92.75 -171.04 2.61 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.547 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.841 ' CG ' ' HB2' ' A' ' 22' ' ' ARG . 10.8 pm0 -89.1 -174.46 4.45 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.66 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -70.19 -51.29 32.2 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.633 0.73 . . . . 0.0 110.65 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.79 -40.58 79.57 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' CG ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -59.1 -54.03 51.68 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.314 -1.491 . . . . 0.0 109.356 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.892 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -61.36 -54.95 37.12 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.286 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.674 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.04 -29.95 1.67 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.968 -1.083 . . . . 0.0 109.76 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -64.71 -64.52 0.85 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.599 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.743 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 14.7 p90 -92.95 -11.75 32.52 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.42 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -64.24 -55.2 23.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.737 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.6 pp20? -72.31 -45.86 58.18 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.459 0.647 . . . . 0.0 111.078 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.625 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 t -43.67 -36.31 2.13 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.808 0.814 . . . . 0.0 109.25 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 36' ' ' ILE . . . -97.33 6.2 48.69 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.203 0.525 . . . . 0.0 110.945 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.77 40.23 5.34 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.981 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.7 31.19 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 121.905 0.86 . . . . 0.0 110.064 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.681 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.6 t0 -94.84 149.18 21.52 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.504 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 6.4 mp -84.27 -56.52 3.6 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.233 -0.917 . . . . 0.0 110.929 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.704 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 9.7 pt20 -34.81 -45.97 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.184 -0.947 . . . . 0.0 110.513 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.951 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.9 tt -79.91 -63.93 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.93 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.951 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.64 -49.69 74.25 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.852 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.112 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -58.9 -48.24 82.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 0.0 109.858 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -43.57 -59.98 1.95 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.344 -0.848 . . . . 0.0 109.93 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 m -51.41 -52.29 47.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.538 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 16' ' ' THR 0.253 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 110.422 179.57 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.249 0.547 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 22.6 pt-20 -42.92 -42.87 3.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.235 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.9 -43.09 81.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.283 -0.885 . . . . 0.0 110.113 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -54.15 -36.75 63.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.26 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.5 mm-40 -67.8 -60.77 2.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.38 -0.825 . . . . 0.0 109.586 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -68.13 -30.67 69.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.56 -0.713 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -59.92 -62.18 2.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.058 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.78 ' HA ' HD11 ' A' ' 27' ' ' LEU . 3.9 pp -54.75 -39.44 68.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.708 HH11 HG11 ' A' ' 13' ' ' VAL . 23.6 mmm180 -56.22 -37.58 69.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.892 -1.13 . . . . 0.0 109.604 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.988 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 tp10 -57.47 -43.78 84.31 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CE2' ' HB1' ' A' ' 37' ' ' ALA . 4.4 t80 -68.11 -55.69 11.54 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.927 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 18' ' ' ALA . 73.8 t -49.24 -23.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -79.55 -29.45 41.36 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.988 HG13 ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -94.76 -44.1 13.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-O 121.888 0.851 . . . . 0.0 110.724 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.072 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -88.6 -18.24 28.44 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 66.29 19.68 68.64 Favored Glycine 0 N--CA 1.479 1.507 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.927 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.06 -175.36 4.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.787 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.595 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -89.3 148.99 23.25 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.329 0.585 . . . . 0.0 110.652 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -39.95 -51.09 2.52 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.674 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -76.38 -34.62 58.88 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.808 -0.557 . . . . 0.0 111.674 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -58.42 -55.12 39.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.762 -1.212 . . . . 0.0 109.349 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.023 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -56.99 -55.04 39.81 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 21.4 ttt180 -45.06 -34.74 2.68 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.5 m-85 -66.1 -61.3 2.11 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.541 -0.863 . . . . 0.0 110.012 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 15.0 p90 -89.93 -9.27 49.48 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.879 -1.129 . . . . 0.0 110.61 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.025 HD23 ' HA ' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.13 -56.86 11.84 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.675 ' HG3' ' N ' ' A' ' 29' ' ' SER . 23.1 pt-20 -62.82 -46.46 87.82 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.105 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.675 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.4 t -45.11 -34.17 2.51 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.694 0.759 . . . . 0.0 109.5 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -106.81 3.52 26.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.605 -0.684 . . . . 0.0 111.306 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 88.13 40.83 6.43 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.025 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 m95 37.76 27.63 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.82 -0.812 . . . . 0.0 110.705 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.824 ' HB3' HG12 ' A' ' 36' ' ' ILE . 1.2 t70 -94.12 144.72 25.24 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.198 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.936 HD21 HG11 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -77.03 -61.95 1.81 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.231 -0.918 . . . . 0.0 110.855 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.732 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -35.07 -36.97 0.06 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.87 -1.143 . . . . 0.0 109.778 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.824 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.1 mm -86.75 -70.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-O 122.264 1.031 . . . . 0.0 109.124 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.814 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -48.21 -48.33 35.01 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.991 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -63.98 -51.92 62.04 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.856 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.52 -37.67 27.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -0.916 . . . . 0.0 109.89 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -63.11 -56.36 17.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.206 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 1.072 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.578 0 O-C-N 121.2 -0.937 . . . . 0.0 110.439 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.237 0.541 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.08 -28.37 67.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.221 -0.924 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.689 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.7 mm-40 -61.16 -50.54 72.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.306 -0.871 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -49.45 -48.7 47.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 4.1 mm100 -69.24 -55.86 9.3 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.461 -0.775 . . . . 0.0 110.567 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.34 -59.4 2.89 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 110.609 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -47.14 -54.4 10.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.857 HD11 ' CA ' ' A' ' 24' ' ' ARG . 7.2 tt -58.11 -47.5 83.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 108.962 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 11.5 mmm180 -54.13 -43.63 70.66 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.811 -1.181 . . . . 0.0 108.804 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -48.59 -39.8 25.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 177.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.953 ' CZ ' ' HB1' ' A' ' 37' ' ' ALA . 7.1 t80 -66.64 -55.33 15.77 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.785 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 88.3 t -48.19 -25.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.33 -38.36 81.45 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.08 ' CG2' HD21 ' A' ' 38' ' ' LEU . 7.5 p -88.78 -49.48 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.916 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 12' ' ' PHE . 1.8 t -83.12 -34.22 26.13 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.516 1.151 . . . . 0.0 109.181 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.785 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.63 16.68 68.05 Favored Glycine 0 C--N 1.282 -2.42 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -57.33 -175.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.805 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.909 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -91.4 141.94 28.21 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.26 -47.8 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.2 -1.0 . . . . 0.0 108.924 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.548 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 7.1 m-20 -80.01 -45.88 17.59 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.91 -0.494 . . . . 0.0 111.637 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.909 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -59.35 -44.13 92.72 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.577 -1.327 . . . . 0.0 109.401 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -63.86 -56.82 12.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.857 ' CA ' HD11 ' A' ' 9' ' ' LEU . 1.2 ttm180 -49.76 -23.11 1.65 Allowed 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.124 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.35 -62.82 1.27 Allowed 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.76 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 20.5 p90 -92.06 -13.49 30.79 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.168 -1.413 . . . . 0.0 110.04 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.003 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -62.64 -57.15 12.06 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -70.98 -45.11 64.61 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.398 0.618 . . . . 0.0 111.326 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.623 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 3.0 t -43.77 -37.86 2.93 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.84 0.829 . . . . 0.0 109.107 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -96.85 6.36 48.81 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.322 0.582 . . . . 0.0 110.669 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.06 42.62 4.94 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.003 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.2 m95 35.57 31.31 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.982 0.896 . . . . 0.0 109.754 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 36' ' ' ILE . 47.6 t0 -87.37 165.01 15.91 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.663 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.703 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.56 -62.44 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.256 -0.902 . . . . 0.0 110.719 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' C ' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -48.89 -33.62 11.07 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.379 -0.826 . . . . 0.0 110.908 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.793 ' N ' HD13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -81.51 -71.02 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 122.204 1.002 . . . . 0.0 109.419 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.953 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -41.08 -34.89 0.48 Allowed 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.08 HD21 ' CG2' ' A' ' 15' ' ' VAL . 13.2 mt -65.92 -51.47 58.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' LEU . . . -43.77 -31.63 0.86 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -71.2 -70.68 0.3 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.57 -0.706 . . . . 0.0 109.828 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.76 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.256 0.1 OUTLIER . . . . . 0 C--N 1.301 -1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 110.791 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.213 0.53 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.52 64.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -63.73 -52.23 61.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.713 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -44.03 -47.8 8.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.123 -0.986 . . . . 0.0 110.39 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 6' ' ' GLN . 2.3 mm100 -70.69 -60.32 2.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.389 -0.819 . . . . 0.0 110.278 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -63.37 -51.42 65.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.408 -0.808 . . . . 0.0 110.325 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -48.62 -63.01 1.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 110.136 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -56.14 -39.84 72.89 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.023 -1.048 . . . . 0.0 109.39 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.589 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 7.4 mmm180 -57.04 -42.59 80.74 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.717 -1.239 . . . . 0.0 108.385 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.808 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 tp10 -49.12 -42.35 38.93 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 13.5 t80 -67.55 -56.96 7.42 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.698 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 53.0 t -47.33 -23.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 118.778 -1.169 . . . . 0.0 107.884 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -77.77 -30.6 51.49 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 38' ' ' LEU . 14.6 p -92.53 -42.64 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 122.092 0.949 . . . . 0.0 110.217 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.139 HG23 ' CZ ' ' A' ' 41' ' ' PHE 0.251 0.3 OUTLIER -89.41 -18.93 25.83 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.698 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.698 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.78 22.74 60.18 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.944 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.19 -173.17 3.1 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.429 -1.309 . . . . 0.0 110.89 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -87.84 145.01 26.28 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.197 0.522 . . . . 0.0 110.395 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -33.29 -51.08 0.33 Allowed 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.678 0.752 . . . . 0.0 109.779 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -74.27 -47.26 36.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.806 -0.559 . . . . 0.0 111.447 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.675 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -51.25 -46.38 62.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.846 -1.159 . . . . 0.0 109.326 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.782 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.12 -62.13 1.65 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -46.98 -22.68 0.35 Allowed 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.158 178.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.606 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -66.65 -64.44 0.86 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.383 -0.823 . . . . 0.0 108.973 179.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -87.97 -15.21 37.12 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.689 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.98 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -60.03 -60.87 3.14 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.763 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -69.95 -45.75 66.77 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.403 0.621 . . . . 0.0 111.55 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -43.43 -36.14 1.85 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.9 0.857 . . . . 0.0 109.442 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -101.44 5.33 41.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.773 -0.58 . . . . 0.0 110.813 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 95.48 44.2 3.25 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.98 ' HA ' HD22 ' A' ' 27' ' ' LEU . 3.1 m95 36.18 32.28 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.103 0.954 . . . . 0.0 109.87 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.665 ' HB3' HG12 ' A' ' 36' ' ' ILE . 45.2 t0 -89.43 163.84 15.11 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.471 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -92.92 -62.81 1.31 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.178 -0.951 . . . . 0.0 111.311 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.32 -33.5 9.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.223 -0.923 . . . . 0.0 111.362 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.816 ' N ' HD13 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -78.26 -71.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-O 122.225 1.012 . . . . 0.0 109.819 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.885 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . . . -49.34 -37.96 26.42 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 15' ' ' VAL . 52.0 mt -59.24 -50.44 74.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.764 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.85 21.0 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.331 -0.855 . . . . 0.0 108.742 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 41' ' ' PHE . 1.6 m -55.01 -60.56 3.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.259 -0.9 . . . . 0.0 109.401 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 1.139 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.264 0.1 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 O-C-N 121.475 -0.766 . . . . 0.0 110.899 178.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.279 0.562 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.57 -38.11 9.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.207 -0.933 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.1 mm-40 -56.63 -42.6 79.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.211 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 27.3 mtp180 -52.64 -38.85 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -0.892 . . . . 0.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 6.3 mm100 -68.12 -59.75 3.0 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.412 -0.805 . . . . 0.0 109.737 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ALA . 7.9 t0 -70.22 -58.49 3.72 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.453 -0.779 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.59 -38.63 4.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 110.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -64.69 -58.78 5.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.256 -0.903 . . . . 0.0 108.841 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 1.057 ' N ' HD13 ' A' ' 9' ' ' LEU . 15.6 mmm180 -55.12 -38.9 68.78 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.671 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 11.1 tp10 -53.98 -38.15 64.72 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.841 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 3.0 t80 -73.04 -52.66 13.53 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 18' ' ' ALA . 72.8 t -55.64 -21.99 11.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -79.64 -27.27 40.93 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 12' ' ' PHE . 14.5 p -101.3 -43.68 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.079 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -90.3 -13.68 34.74 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 62.59 18.04 58.27 Favored Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.93 ' H ' HG22 ' A' ' 16' ' ' THR . . . -73.35 -165.27 0.24 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -1.143 . . . . 0.0 110.501 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.802 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -105.22 140.11 38.87 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.527 -0.733 . . . . 0.0 109.098 179.406 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.9 -46.18 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.265 -0.974 . . . . 0.0 108.707 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.564 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -78.49 -39.2 38.97 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.201 -179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.802 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.68 -55.01 39.7 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.459 -1.401 . . . . 0.0 109.419 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.951 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.07 -52.46 64.19 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.831 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 1.1 ttm180 -46.5 -35.31 5.56 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.258 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -62.4 1.6 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.637 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.77 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 18.5 p90 -89.01 -9.71 50.3 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.061 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.951 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.5 mt -59.75 -63.22 1.38 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 13.3 pt-20 -62.34 -44.72 95.83 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.246 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.666 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.2 t -41.42 -35.71 0.72 Allowed 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -108.1 3.01 23.42 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.301 0.572 . . . . 0.0 110.571 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.98 47.81 3.52 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.748 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 16.7 m95 34.68 30.9 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.934 0.873 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.666 ' HB3' HG12 ' A' ' 36' ' ' ILE . 17.9 t0 -86.2 156.53 20.27 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.78 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.752 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -88.44 -62.44 1.49 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.88 . . . . 0.0 110.439 -179.353 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -50.68 -38.7 48.34 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.191 -0.943 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.756 ' N ' HD13 ' A' ' 36' ' ' ILE . 1.2 mm -74.24 -70.22 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-O 122.391 1.091 . . . . 0.0 109.134 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -44.98 -38.75 4.97 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.892 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 34.4 mt -62.67 -51.53 66.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.529 -0.732 . . . . 0.0 109.502 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' LEU . . . -42.99 -47.0 5.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.371 -0.83 . . . . 0.0 109.548 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -58.12 -62.6 1.7 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.342 -0.849 . . . . 0.0 109.615 179.544 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 1.079 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.286 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 121.856 0.836 . . . . 0.0 110.148 178.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.486 ' HB1' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.298 0.571 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -32.85 1.42 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.238 -0.914 . . . . 0.0 110.178 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 22.0 mm-40 -51.32 -30.89 19.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.255 -0.903 . . . . 0.0 110.035 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.14 -47.37 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.325 -0.859 . . . . 0.0 110.12 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 6' ' ' GLN . 4.1 mm100 -56.35 -48.69 76.28 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.366 -0.834 . . . . 0.0 109.426 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.3 t70 -74.17 -60.91 2.05 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.58 -0.7 . . . . 0.0 110.485 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 11' ' ' GLU . . . -41.66 -42.07 2.41 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.225 -0.922 . . . . 0.0 110.159 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -63.86 -59.64 4.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.235 -0.916 . . . . 0.0 108.743 179.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.612 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 35.7 mmm-85 -51.89 -37.59 52.94 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.776 -1.169 . . . . 0.0 108.455 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 6.3 tp10 -53.72 -40.94 66.52 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.946 ' CZ ' ' CE1' ' A' ' 26' ' ' PHE . 25.6 t80 -71.12 -56.14 6.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 18' ' ' ALA . 49.0 t -50.72 -21.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 C-N-CA 118.841 -1.144 . . . . 0.0 108.146 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.57 -27.4 37.49 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 38' ' ' LEU . 11.3 p -96.79 -43.53 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-O 121.964 0.888 . . . . 0.0 110.503 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.015 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -83.71 -17.91 39.7 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.09 26.97 64.23 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.879 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -102.37 -165.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.566 -1.254 . . . . 0.0 110.791 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 1.5 pm0 -83.99 -166.17 1.34 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.789 0.804 . . . . 0.0 109.31 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -81.99 -47.08 13.11 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.782 0.801 . . . . 0.0 109.7 179.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -62.22 -47.64 83.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.872 -0.518 . . . . 0.0 111.383 -178.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.766 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.23 -46.74 75.98 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.944 -1.097 . . . . 0.0 109.411 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -69.05 -56.43 7.78 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.057 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.666 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -51.78 -21.39 2.77 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.948 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -68.4 -64.9 0.77 Allowed 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.468 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.969 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -85.24 -14.41 46.82 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.385 -1.326 . . . . 0.0 110.385 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.46 -63.96 0.99 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.399 177.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.679 ' HG3' ' H ' ' A' ' 29' ' ' SER . 2.6 pp20? -56.77 -47.47 80.06 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.115 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.679 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.2 t -50.38 -34.65 24.93 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.934 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -105.87 3.51 28.68 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.473 -0.767 . . . . 0.0 111.351 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.39 44.13 4.11 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.832 ' CB ' HD23 ' A' ' 27' ' ' LEU . 19.4 m95 38.37 27.44 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.813 -0.816 . . . . 0.0 110.612 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.779 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -90.68 137.08 32.64 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.102 178.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -75.17 -53.64 8.48 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.521 -0.737 . . . . 0.0 110.654 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -34.84 -49.11 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 109.936 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.916 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.4 tt -79.8 -62.1 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.503 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.916 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -55.35 -50.42 69.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.579 -0.701 . . . . 0.0 109.791 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.073 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.58 -50.34 72.21 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.244 -0.91 . . . . 0.0 109.07 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -51.95 -27.94 14.92 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.91 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -67.8 -63.62 1.02 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.551 -0.718 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 1.015 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.257 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.465 0 O-C-N 121.382 -0.824 . . . . 0.0 110.844 179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.234 0.54 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.39 -32.55 11.75 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.176 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -17.02 63.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.2 mt-10 -53.3 -36.11 60.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.865 . . . . 0.0 110.067 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.595 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.7 mpt_? -53.82 -45.62 70.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 110.143 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.2 mm-40 -66.31 -55.25 16.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.474 -0.766 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 4.6 t70 -67.28 -49.47 64.16 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.264 -0.898 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -50.58 -60.6 2.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.159 -0.963 . . . . 0.0 110.335 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 1.1 pp -54.13 -38.43 65.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.108 -0.995 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 23.4 mmm-85 -57.61 -44.71 85.66 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.722 -1.236 . . . . 0.0 108.757 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -49.11 -41.54 36.22 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.741 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.1 t80 -65.82 -53.24 42.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.005 HG13 ' O ' ' A' ' 18' ' ' ALA . 55.9 t -47.62 -23.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.61 -31.53 36.62 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.97 HG11 HD11 ' A' ' 38' ' ' LEU . 13.2 t -82.89 -50.43 15.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.189 0.995 . . . . 0.0 109.98 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.0 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -89.52 -17.72 28.05 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.553 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 72.76 17.74 78.42 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.005 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -71.13 -170.51 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.187 -1.184 . . . . 0.0 110.669 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.831 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -101.22 144.08 30.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.614 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -32.05 -47.26 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.806 179.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.566 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -80.26 -42.54 22.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.299 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.831 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.87 -51.07 68.85 Favored 'General case' 0 C--N 1.307 -1.248 0 O-C-N 120.315 -1.49 . . . . 0.0 109.574 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.837 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -60.08 -57.57 12.27 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.198 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.652 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.2 ttt180 -44.41 -29.76 0.74 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.681 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -65.03 -64.23 0.91 Allowed 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 119.384 -0.927 . . . . 0.0 108.91 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.725 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p90 -93.13 -10.72 34.91 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.286 -0.966 . . . . 0.0 110.411 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.985 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.24 -53.39 49.81 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.75 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.9 pp20? -73.16 -45.23 57.79 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.55 0.69 . . . . 0.0 110.894 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.615 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.9 t -43.9 -35.59 2.05 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.809 0.814 . . . . 0.0 109.149 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.61 5.76 47.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.833 -0.542 . . . . 0.0 110.818 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.43 40.01 5.19 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.985 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.36 31.4 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.859 0.838 . . . . 0.0 109.841 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 36' ' ' ILE . 5.5 t0 -87.81 153.57 21.23 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.415 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -92.36 -37.68 12.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.0 110.858 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -61.37 2.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.93 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.887 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.8 tt -66.06 -59.09 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 0.0 110.802 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.887 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -43.07 -38.91 2.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.635 0.731 . . . . 0.0 109.304 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.97 HD11 HG11 ' A' ' 15' ' ' VAL . 12.8 mt -65.51 -55.17 19.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.545 -0.722 . . . . 0.0 109.806 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.03 5.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.526 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ASP . 45.2 t -63.01 -61.07 2.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.372 -0.83 . . . . 0.0 109.984 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.0 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.271 0.1 OUTLIER -42.51 -51.92 4.9 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 110.472 179.185 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.705 ' OH ' HD22 ' A' ' 38' ' ' LEU . 4.0 m-30 -68.48 -49.15 61.85 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.576 -0.703 . . . . 0.0 110.406 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 15.54 3.74 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.198 0.999 . . . . 0.0 110.548 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.7 t70 -71.3 -23.7 62.0 Favored 'General case' 0 C--N 1.28 -2.443 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.42 73.29 0.04 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.542 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.232 0.539 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 6' ' ' GLN . . . -50.83 -34.64 28.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.261 -0.899 . . . . 0.0 110.175 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -67.56 -36.34 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.908 . . . . 0.0 110.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.78 -43.63 81.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.249 -0.907 . . . . 0.0 109.954 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.1 mtp180 -58.1 -40.03 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 110.134 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 5.4 mm100 -70.12 -55.26 9.87 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.9 t70 -68.38 -57.59 5.66 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.848 . . . . 0.0 110.374 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.05 -51.91 7.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.783 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.083 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.61 -55.38 34.04 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.047 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 1.083 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.1 mmm180 -53.02 -40.03 63.59 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.44 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.643 ' OE2' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.69 -35.59 31.77 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 176.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.858 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.0 t80 -74.04 -52.16 13.56 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.923 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 18' ' ' ALA . 45.9 t -58.12 -20.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' ARG . . . -82.62 -26.39 32.27 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HD11 ' A' ' 38' ' ' LEU . 11.6 p -101.65 -43.85 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 O-C-N 121.395 -0.816 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -84.52 -22.33 30.2 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 70.77 19.53 76.8 Favored Glycine 0 N--CA 1.478 1.478 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.974 ' HB1' ' HG2' ' A' ' 22' ' ' ARG . . . -77.44 -179.88 6.04 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.653 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.71 ' CB ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -80.07 143.44 34.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.593 -0.692 . . . . 0.0 110.452 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -37.12 -52.93 1.02 Allowed 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.553 -0.717 . . . . 0.0 110.532 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.62 -32.58 36.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.597 -0.69 . . . . 0.0 112.119 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.974 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -61.69 -60.79 3.14 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.844 -1.16 . . . . 0.0 108.819 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.851 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -54.36 -51.73 63.86 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -48.72 -29.59 4.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.148 -0.97 . . . . 0.0 109.869 179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.52 -61.96 1.71 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.323 179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.776 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 10.1 p90 -89.75 -11.65 41.64 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.212 -0.995 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.082 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -64.06 -50.8 66.97 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 176.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.868 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 21.7 pt-20 -72.45 -46.64 54.06 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.686 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.654 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.8 t -43.73 -35.12 1.72 Allowed 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.806 0.812 . . . . 0.0 109.07 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -97.38 6.07 48.83 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.229 0.538 . . . . 0.0 110.821 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 89.7 38.68 6.47 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.082 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.06 30.19 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.769 0.795 . . . . 0.0 110.116 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.706 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.9 t70 -99.39 150.54 22.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.647 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 4.1 mp -83.31 -57.87 3.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 110.917 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.634 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -34.77 -52.04 0.51 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.043 . . . . 0.0 110.407 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.6 tt -76.78 -61.06 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.179 -0.951 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -58.28 -52.47 65.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.967 HD11 ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.08 -44.86 79.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.366 -0.834 . . . . 0.0 109.51 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -50.69 -40.96 55.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.764 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.597 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -63.03 -58.32 7.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.069 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.025 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.27 0.1 OUTLIER -41.68 -52.67 3.8 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.32 -0.863 . . . . 0.0 110.634 179.197 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.5 m-30 -76.02 -46.93 26.87 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.429 -0.794 . . . . 0.0 110.463 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 40' ' ' SER . 1.1 mt-10 -117.69 148.15 42.25 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.255 -0.903 . . . . 0.0 110.559 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -105.66 -0.19 25.81 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' O ' ' OXT' ' A' ' 46' ' ' GLY . . . 108.05 45.73 1.07 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' OXT' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 118.024 -1.431 . . . . 0.0 109.548 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.76 -22.14 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.34 -18.43 58.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 88.3 mt-10 -63.9 -53.1 55.77 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 110.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.626 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 15.1 mtp180 -47.4 -47.96 26.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 4.1 mm100 -69.45 -57.29 5.44 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.431 -0.793 . . . . 0.0 110.446 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.38 -57.96 5.08 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 0.0 110.515 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.38 -52.9 7.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.199 -0.938 . . . . 0.0 109.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -60.08 -53.41 58.12 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.749 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 1.03 ' N ' HD13 ' A' ' 9' ' ' LEU . 9.8 mmm180 -49.72 -38.41 33.18 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.518 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.948 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 9.1 tp10 -51.36 -41.91 60.96 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 16' ' ' THR . 2.4 t80 -65.32 -56.62 11.63 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.747 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 75.8 t -47.1 -26.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.93 -36.61 78.18 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.034 ' CG1' HD21 ' A' ' 38' ' ' LEU . 6.2 t -87.46 -53.98 8.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.87 0.843 . . . . 0.0 110.686 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.857 HG23 ' H ' ' A' ' 18' ' ' ALA . 3.0 t -80.88 -34.26 33.74 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.387 1.089 . . . . 0.0 109.635 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.747 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.66 15.49 66.53 Favored Glycine 0 C--N 1.284 -2.353 0 N-CA-C 105.399 -3.081 . . . . 0.0 105.399 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.917 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -54.96 -173.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.57 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -89.36 138.52 31.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.162 -0.962 . . . . 0.0 108.481 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.1 -47.29 0.1 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.245 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.539 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 27.6 m-20 -82.34 -43.26 17.67 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.882 -0.511 . . . . 0.0 112.264 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -56.07 -50.27 71.47 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.434 -1.417 . . . . 0.0 109.576 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -62.23 -57.7 10.47 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.643 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.19 -24.57 1.19 Allowed 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.098 -1.041 . . . . 0.0 109.482 179.187 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.2 OUTLIER -66.64 -63.68 1.02 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.286 -0.884 . . . . 0.0 108.935 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 27.8 p90 -91.11 -13.82 32.35 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.273 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.994 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -63.31 -54.57 34.97 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.736 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -72.88 -44.81 60.87 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.575 0.702 . . . . 0.0 111.05 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.616 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.7 t -43.6 -37.2 2.43 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.885 0.85 . . . . 0.0 109.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -95.93 6.3 49.19 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.3 39.46 6.01 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.994 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER 35.17 30.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.851 0.834 . . . . 0.0 109.816 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.704 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.6 t70 -93.47 150.16 20.66 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.527 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -85.16 -53.61 5.15 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.146 -0.971 . . . . 0.0 110.742 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.655 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 2.5 mp0 -35.07 -50.34 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.944 -1.097 . . . . 0.0 109.865 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.907 HG23 ' H ' ' A' ' 37' ' ' ALA . 5.1 tt -79.86 -61.64 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 0.0 110.726 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.907 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.73 -51.91 67.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 109.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.034 HD21 ' CG1' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -57.43 -50.28 73.52 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.856 . . . . 0.0 109.522 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.5 -28.4 5.39 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.565 -0.854 . . . . 0.0 109.15 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' ALA . 8.5 t -73.46 -65.33 0.83 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.41 -0.806 . . . . 0.0 111.02 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -50.98 -43.77 60.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 111.161 -179.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 38' ' ' LEU . 4.7 m-85 -72.17 -35.48 69.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.288 -0.882 . . . . 0.0 110.851 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 6.5 mm-40 -90.29 15.12 11.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.933 -1.104 . . . . 0.0 110.206 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -79.26 -1.88 38.62 Favored 'General case' 0 C--N 1.281 -2.402 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.2 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 136.87 76.65 0.07 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.606 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.278 0.561 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.03 57.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.195 -0.941 . . . . 0.0 110.235 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.13 -35.17 79.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 0.0 110.155 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 47.2 mm-40 -55.89 -41.21 74.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.89 . . . . 0.0 110.116 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' HD3' ' CE3' ' A' ' 32' ' ' TRP . 2.3 mmt-85 -51.06 -38.71 53.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.0 110.142 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.507 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.9 mm-40 -72.35 -62.49 1.42 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.394 -0.816 . . . . 0.0 109.868 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.0 t70 -61.68 -45.02 95.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.407 -0.808 . . . . 0.0 110.431 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -53.6 -61.67 2.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 110.255 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -53.41 -37.94 62.97 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.035 -1.041 . . . . 0.0 109.277 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 19.1 mmm180 -57.1 -46.94 82.17 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 120.668 -1.27 . . . . 0.0 108.995 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -47.72 -40.25 19.8 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.778 ' HA ' HG12 ' A' ' 15' ' ' VAL . 5.2 t80 -65.91 -52.62 48.35 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.792 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 71.6 t -51.34 -24.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -74.12 -30.57 62.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.954 ' CG2' HD21 ' A' ' 38' ' ' LEU . 14.7 p -99.14 -43.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 121.897 0.856 . . . . 0.0 110.801 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.924 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -92.94 -8.72 42.39 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.792 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 45.43 23.24 0.77 Allowed Glycine 0 N--CA 1.486 2.024 0 N-CA-C 108.426 -1.87 . . . . 0.0 108.426 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.991 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -63.56 -158.92 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 118.615 -1.234 . . . . 0.0 109.857 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.928 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -107.41 146.28 31.88 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.661 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -31.21 -47.22 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.739 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.614 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 20.7 m-20 -85.92 -38.0 18.49 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.928 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.59 -44.97 94.98 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.077 -1.64 . . . . 0.0 108.998 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.991 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -65.37 -59.47 3.99 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 1.7 ttp85 -49.15 -21.02 0.67 Allowed 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 119.121 -1.031 . . . . 0.0 109.148 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.617 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.62 -63.46 1.06 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.533 -0.729 . . . . 0.0 109.039 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.738 ' CE2' ' CE2' ' A' ' 12' ' ' PHE . 17.0 p90 -92.36 -13.0 30.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.053 -1.459 . . . . 0.0 109.496 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.018 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -59.65 -55.74 30.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 176.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 20.6 pt-20 -72.57 -46.92 52.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.432 0.634 . . . . 0.0 111.186 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.628 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 1.6 t -42.89 -31.97 0.57 Allowed 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.823 0.82 . . . . 0.0 109.132 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 36' ' ' ILE . . . -104.25 5.23 34.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.819 -0.551 . . . . 0.0 110.945 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 94.04 40.09 4.69 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.018 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.9 m95 35.42 31.01 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.939 0.876 . . . . 0.0 109.935 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.608 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 2.3 t70 -90.4 160.78 15.89 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.586 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.14 -44.6 8.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 110.391 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -52.32 -68.97 0.13 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.28 -0.888 . . . . 0.0 111.333 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.861 HG23 ' H ' ' A' ' 37' ' ' ALA . 4.0 tt -61.14 -58.31 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.509 -0.744 . . . . 0.0 110.856 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -45.04 -40.68 6.87 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.783 0.801 . . . . 0.0 108.979 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.954 HD21 ' CG2' ' A' ' 15' ' ' VAL . 20.5 mt -63.68 -45.47 89.96 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -45.72 -40.71 9.71 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.586 -0.845 . . . . 0.0 108.743 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 44' ' ' ASP . 1.7 m -63.14 -69.93 0.24 Allowed 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.421 -0.799 . . . . 0.0 109.542 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.924 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER -37.08 -39.51 0.25 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.428 -0.795 . . . . 0.0 112.001 179.187 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.659 ' CD1' ' HB3' ' A' ' 41' ' ' PHE . 7.8 m-85 -94.31 -42.63 8.81 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 111.279 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 39' ' ' ALA . 5.4 mm-40 -85.78 14.54 5.76 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.049 -1.032 . . . . 0.0 110.575 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 40' ' ' SER . 11.2 t70 -95.05 9.46 39.42 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.161 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.3 73.0 0.04 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 118.027 -1.429 . . . . 0.0 109.546 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.277 0.561 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.57 -32.01 0.51 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.933 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -31.43 18.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 0.0 110.22 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 mt-10 -55.29 -37.59 67.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.304 -0.873 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 30.1 mtp85 -55.44 -41.48 72.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 6' ' ' GLN . 3.1 mm100 -69.31 -56.96 6.0 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.52 -55.14 16.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.386 -0.821 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -44.96 -56.55 4.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.044 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.119 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.31 -50.95 71.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.206 -0.934 . . . . 0.0 108.677 179.208 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 1.119 ' N ' HD13 ' A' ' 9' ' ' LEU . 6.3 mmm180 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.734 -1.228 . . . . 0.0 108.734 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -50.56 -37.96 42.44 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 176.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.847 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.1 t80 -70.3 -56.11 7.53 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.967 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 18' ' ' ALA . 25.2 t -53.56 -23.19 7.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 C-N-CA 119.043 -1.063 . . . . 0.0 108.148 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -78.53 -27.0 45.9 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.112 HG21 HD11 ' A' ' 38' ' ' LEU . 12.9 p -104.69 -43.14 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 119.588 -0.845 . . . . 0.0 111.376 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.057 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -77.1 -19.08 57.47 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.52 20.51 69.9 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.898 ' H ' HG22 ' A' ' 16' ' ' THR . . . -92.75 -171.04 2.61 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.348 -1.341 . . . . 0.0 109.547 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.841 ' CG ' ' HB2' ' A' ' 22' ' ' ARG . 10.8 pm0 -89.1 -174.46 4.45 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.66 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -70.19 -51.29 32.2 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.633 0.73 . . . . 0.0 110.65 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.79 -40.58 79.57 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' CG ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -59.1 -54.03 51.68 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.314 -1.491 . . . . 0.0 109.356 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.892 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -61.36 -54.95 37.12 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.286 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.674 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.04 -29.95 1.67 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.968 -1.083 . . . . 0.0 109.76 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -64.71 -64.52 0.85 Allowed 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.166 -1.014 . . . . 0.0 108.599 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.743 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 14.7 p90 -92.95 -11.75 32.52 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.42 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -64.24 -55.2 23.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.737 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.6 pp20? -72.31 -45.86 58.18 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.459 0.647 . . . . 0.0 111.078 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.625 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 t -43.67 -36.31 2.13 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.808 0.814 . . . . 0.0 109.25 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 36' ' ' ILE . . . -97.33 6.2 48.69 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.203 0.525 . . . . 0.0 110.945 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.77 40.23 5.34 Favored Glycine 0 N--CA 1.485 1.924 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.981 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.1 m95 35.7 31.19 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 121.905 0.86 . . . . 0.0 110.064 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.681 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.6 t0 -94.84 149.18 21.52 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.504 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 6.4 mp -84.27 -56.52 3.6 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.233 -0.917 . . . . 0.0 110.929 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.704 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 9.7 pt20 -34.81 -45.97 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.184 -0.947 . . . . 0.0 110.513 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.951 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.9 tt -79.91 -63.93 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.93 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.951 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -56.64 -49.69 74.25 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.852 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.112 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -58.9 -48.24 82.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 0.0 109.858 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -43.57 -59.98 1.95 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.344 -0.848 . . . . 0.0 109.93 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' GLY . 32.3 m -51.41 -52.29 47.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.538 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.057 ' CE2' HG23 ' A' ' 16' ' ' THR 0.253 0.1 OUTLIER -46.04 -64.51 0.73 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 110.422 179.57 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.7 m-85 -68.5 -35.21 77.18 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.298 -0.876 . . . . 0.0 109.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.612 ' C ' ' H ' ' A' ' 45' ' ' GLY . 25.9 mm-40 -67.89 178.08 1.9 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.31 -0.869 . . . . 0.0 110.546 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.31 2.97 0.12 Allowed 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 43' ' ' GLU . . . -100.17 33.74 6.08 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 41' ' ' PHE . . . . . . . . 0 N--CA 1.486 2.003 0 CA-C-O 118.017 -1.435 . . . . 0.0 109.538 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.227 0.537 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -50.74 -68.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.34 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 22.6 pt-20 -42.92 -42.87 3.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.308 -0.87 . . . . 0.0 110.235 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.9 -43.09 81.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.283 -0.885 . . . . 0.0 110.113 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -54.15 -36.75 63.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 110.26 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.5 mm-40 -67.8 -60.77 2.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.38 -0.825 . . . . 0.0 109.586 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -68.13 -30.67 69.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.56 -0.713 . . . . 0.0 110.227 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -59.92 -62.18 2.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.058 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.78 ' HA ' HD11 ' A' ' 27' ' ' LEU . 3.9 pp -54.75 -39.44 68.31 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.708 HH11 HG11 ' A' ' 13' ' ' VAL . 23.6 mmm180 -56.22 -37.58 69.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.892 -1.13 . . . . 0.0 109.604 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.988 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 tp10 -57.47 -43.78 84.31 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.814 ' CE2' ' HB1' ' A' ' 37' ' ' ALA . 4.4 t80 -68.11 -55.69 11.54 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.927 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 18' ' ' ALA . 73.8 t -49.24 -23.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -79.55 -29.45 41.36 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.988 HG13 ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -94.76 -44.1 13.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-O 121.888 0.851 . . . . 0.0 110.724 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.072 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -88.6 -18.24 28.44 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 66.29 19.68 68.64 Favored Glycine 0 N--CA 1.479 1.507 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.927 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.06 -175.36 4.04 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.48 -1.288 . . . . 0.0 110.787 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.595 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -89.3 148.99 23.25 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.329 0.585 . . . . 0.0 110.652 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -39.95 -51.09 2.52 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.674 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -76.38 -34.62 58.88 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.808 -0.557 . . . . 0.0 111.674 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -58.42 -55.12 39.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.762 -1.212 . . . . 0.0 109.349 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.023 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -56.99 -55.04 39.81 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 21.4 ttt180 -45.06 -34.74 2.68 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.219 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.5 m-85 -66.1 -61.3 2.11 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.541 -0.863 . . . . 0.0 110.012 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.723 ' CZ ' ' CE2' ' A' ' 12' ' ' PHE . 15.0 p90 -89.93 -9.27 49.48 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.879 -1.129 . . . . 0.0 110.61 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.025 HD23 ' HA ' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.13 -56.86 11.84 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.675 ' HG3' ' N ' ' A' ' 29' ' ' SER . 23.1 pt-20 -62.82 -46.46 87.82 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.105 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.675 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 1.4 t -45.11 -34.17 2.51 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.694 0.759 . . . . 0.0 109.5 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -106.81 3.52 26.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.605 -0.684 . . . . 0.0 111.306 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 88.13 40.83 6.43 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.025 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 m95 37.76 27.63 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.82 -0.812 . . . . 0.0 110.705 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.824 ' HB3' HG12 ' A' ' 36' ' ' ILE . 1.2 t70 -94.12 144.72 25.24 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.198 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.936 HD21 HG11 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -77.03 -61.95 1.81 Allowed 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.231 -0.918 . . . . 0.0 110.855 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.732 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -35.07 -36.97 0.06 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.87 -1.143 . . . . 0.0 109.778 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.824 HG12 ' HB3' ' A' ' 33' ' ' ASP . 1.1 mm -86.75 -70.0 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-O 122.264 1.031 . . . . 0.0 109.124 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.814 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -48.21 -48.33 35.01 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.991 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -63.98 -51.92 62.04 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.856 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 35' ' ' GLN . . . -49.52 -37.67 27.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.234 -0.916 . . . . 0.0 109.89 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.592 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -63.11 -56.36 17.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.206 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.072 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.268 0.1 OUTLIER -42.08 -50.68 4.69 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.2 -0.937 . . . . 0.0 110.439 179.141 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.0 m-30 -81.08 -48.16 12.55 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.49 -0.756 . . . . 0.0 110.401 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 40' ' ' SER . 2.2 mt-10 -108.74 149.62 28.76 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.338 -0.851 . . . . 0.0 110.644 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -73.47 -1.67 19.38 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.65 80.75 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 117.922 -1.488 . . . . 0.0 109.586 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 2' ' ' ALA . 3.5 mtt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.261 0.553 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.78 -30.95 0.43 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 110.239 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.08 -28.37 67.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.221 -0.924 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.689 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.7 mm-40 -61.16 -50.54 72.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.306 -0.871 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -49.45 -48.7 47.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 6' ' ' GLN . 4.1 mm100 -69.24 -55.86 9.3 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.461 -0.775 . . . . 0.0 110.567 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.34 -59.4 2.89 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 110.609 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -47.14 -54.4 10.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.857 HD11 ' CA ' ' A' ' 24' ' ' ARG . 7.2 tt -58.11 -47.5 83.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 108.962 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 11.5 mmm180 -54.13 -43.63 70.66 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.811 -1.181 . . . . 0.0 108.804 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 tt0 -48.59 -39.8 25.08 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 177.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.953 ' CZ ' ' HB1' ' A' ' 37' ' ' ALA . 7.1 t80 -66.64 -55.33 15.77 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.785 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 88.3 t -48.19 -25.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -68.33 -38.36 81.45 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.08 ' CG2' HD21 ' A' ' 38' ' ' LEU . 7.5 p -88.78 -49.48 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.916 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 12' ' ' PHE . 1.8 t -83.12 -34.22 26.13 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.516 1.151 . . . . 0.0 109.181 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.785 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 67.63 16.68 68.05 Favored Glycine 0 C--N 1.282 -2.42 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . . . -57.33 -175.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.805 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.909 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -91.4 141.94 28.21 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.26 -47.8 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.2 -1.0 . . . . 0.0 108.924 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.548 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 7.1 m-20 -80.01 -45.88 17.59 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.91 -0.494 . . . . 0.0 111.637 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.909 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -59.35 -44.13 92.72 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.577 -1.327 . . . . 0.0 109.401 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -63.86 -56.82 12.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.857 ' CA ' HD11 ' A' ' 9' ' ' LEU . 1.2 ttm180 -49.76 -23.11 1.65 Allowed 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.124 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -66.35 -62.82 1.27 Allowed 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.76 ' CZ ' ' CE1' ' A' ' 41' ' ' PHE . 20.5 p90 -92.06 -13.49 30.79 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 118.168 -1.413 . . . . 0.0 110.04 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.003 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -62.64 -57.15 12.06 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -70.98 -45.11 64.61 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.398 0.618 . . . . 0.0 111.326 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.623 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 3.0 t -43.77 -37.86 2.93 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.84 0.829 . . . . 0.0 109.107 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HB ' ' A' ' 36' ' ' ILE . . . -96.85 6.36 48.81 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.322 0.582 . . . . 0.0 110.669 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 91.06 42.62 4.94 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.003 ' HA ' HD22 ' A' ' 27' ' ' LEU . 1.2 m95 35.57 31.31 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.982 0.896 . . . . 0.0 109.754 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 36' ' ' ILE . 47.6 t0 -87.37 165.01 15.91 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.663 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.703 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -92.56 -62.44 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.256 -0.902 . . . . 0.0 110.719 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' C ' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -48.89 -33.62 11.07 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.379 -0.826 . . . . 0.0 110.908 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.793 ' N ' HD13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -81.51 -71.02 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 122.204 1.002 . . . . 0.0 109.419 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.953 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -41.08 -34.89 0.48 Allowed 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.08 HD21 ' CG2' ' A' ' 15' ' ' VAL . 13.2 mt -65.92 -51.47 58.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -43.77 -31.63 0.86 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -71.2 -70.68 0.3 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.57 -0.706 . . . . 0.0 109.828 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.76 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE 0.256 0.1 OUTLIER -42.85 -47.89 5.66 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 110.791 179.117 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CE1' HD22 ' A' ' 38' ' ' LEU . 27.1 m-85 -80.16 -40.43 27.34 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.615 -0.678 . . . . 0.0 110.413 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 40' ' ' SER . 3.3 mm-40 -125.69 152.31 45.45 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 122.029 0.919 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -119.7 -1.92 10.5 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . . . 129.66 71.03 0.12 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.977 -1.457 . . . . 0.0 109.542 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 66.1 mtm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.323 0.582 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.31 -28.28 18.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 0.0 110.246 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.52 64.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -63.73 -52.23 61.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.713 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -44.03 -47.8 8.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.123 -0.986 . . . . 0.0 110.39 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 6' ' ' GLN . 2.3 mm100 -70.69 -60.32 2.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.389 -0.819 . . . . 0.0 110.278 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -63.37 -51.42 65.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.408 -0.808 . . . . 0.0 110.325 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 4' ' ' GLU . . . -48.62 -63.01 1.21 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.92 . . . . 0.0 110.136 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -56.14 -39.84 72.89 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.023 -1.048 . . . . 0.0 109.39 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.589 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 7.4 mmm180 -57.04 -42.59 80.74 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.717 -1.239 . . . . 0.0 108.385 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.808 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 tp10 -49.12 -42.35 38.93 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 13.5 t80 -67.55 -56.96 7.42 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.698 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 53.0 t -47.33 -23.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 118.778 -1.169 . . . . 0.0 107.884 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -77.77 -30.6 51.49 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 38' ' ' LEU . 14.6 p -92.53 -42.64 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 122.092 0.949 . . . . 0.0 110.217 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.139 HG23 ' CZ ' ' A' ' 41' ' ' PHE 0.251 0.3 OUTLIER -89.41 -18.93 25.83 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.698 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.698 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.78 22.74 60.18 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.944 ' H ' HG22 ' A' ' 16' ' ' THR . . . -78.19 -173.17 3.1 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 118.429 -1.309 . . . . 0.0 110.89 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -87.84 145.01 26.28 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.197 0.522 . . . . 0.0 110.395 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -33.29 -51.08 0.33 Allowed 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.678 0.752 . . . . 0.0 109.779 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -74.27 -47.26 36.11 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.806 -0.559 . . . . 0.0 111.447 -179.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.675 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -51.25 -46.38 62.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.846 -1.159 . . . . 0.0 109.326 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.782 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -66.12 -62.13 1.65 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -46.98 -22.68 0.35 Allowed 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.158 178.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.606 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -66.65 -64.44 0.86 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.383 -0.823 . . . . 0.0 108.973 179.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.949 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -87.97 -15.21 37.12 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.689 179.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.98 HD22 ' HA ' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -60.03 -60.87 3.14 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.763 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.2 pp20? -69.95 -45.75 66.77 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.403 0.621 . . . . 0.0 111.55 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -43.43 -36.14 1.85 Allowed 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 121.9 0.857 . . . . 0.0 109.442 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -101.44 5.33 41.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.773 -0.58 . . . . 0.0 110.813 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 95.48 44.2 3.25 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.98 ' HA ' HD22 ' A' ' 27' ' ' LEU . 3.1 m95 36.18 32.28 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 122.103 0.954 . . . . 0.0 109.87 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.665 ' HB3' HG12 ' A' ' 36' ' ' ILE . 45.2 t0 -89.43 163.84 15.11 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.471 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -92.92 -62.81 1.31 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.178 -0.951 . . . . 0.0 111.311 -179.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.32 -33.5 9.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.223 -0.923 . . . . 0.0 111.362 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.816 ' N ' HD13 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -78.26 -71.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-O 122.225 1.012 . . . . 0.0 109.819 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.885 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . . . -49.34 -37.96 26.42 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 15' ' ' VAL . 52.0 mt -59.24 -50.44 74.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.764 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -47.67 -40.85 21.0 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.331 -0.855 . . . . 0.0 108.742 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 m -55.01 -60.56 3.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.259 -0.9 . . . . 0.0 109.401 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.139 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.264 0.1 OUTLIER -37.41 -53.18 1.14 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.475 -0.766 . . . . 0.0 110.899 178.84 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 17.3 m-85 -82.55 -44.35 15.99 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.563 -0.711 . . . . 0.0 109.842 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.621 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.4 mm-40 -70.36 172.47 8.24 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.42 -0.8 . . . . 0.0 110.307 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.68 -1.03 0.33 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.558 ' H ' ' C ' ' A' ' 43' ' ' GLU . . . 97.9 75.62 1.23 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.627 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.211 0.529 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' MET . . . -42.29 -40.07 2.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -0.934 . . . . 0.0 110.218 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.57 -38.11 9.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.207 -0.933 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.1 mm-40 -56.63 -42.6 79.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.211 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 27.3 mtp180 -52.64 -38.85 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -0.892 . . . . 0.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 5' ' ' ARG . 6.3 mm100 -68.12 -59.75 3.0 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.412 -0.805 . . . . 0.0 109.737 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ALA . 7.9 t0 -70.22 -58.49 3.72 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.453 -0.779 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -44.59 -38.63 4.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 110.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -64.69 -58.78 5.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.256 -0.903 . . . . 0.0 108.841 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 1.057 ' N ' HD13 ' A' ' 9' ' ' LEU . 15.6 mmm180 -55.12 -38.9 68.78 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.671 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 11.1 tp10 -53.98 -38.15 64.72 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.841 ' HD2' ' HB1' ' A' ' 23' ' ' ALA . 3.0 t80 -73.04 -52.66 13.53 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 18' ' ' ALA . 72.8 t -55.64 -21.99 11.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -79.64 -27.27 40.93 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 12' ' ' PHE . 14.5 p -101.3 -43.68 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.079 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -90.3 -13.68 34.74 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 62.59 18.04 58.27 Favored Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.024 -1.631 . . . . 0.0 109.024 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.93 ' H ' HG22 ' A' ' 16' ' ' THR . . . -73.35 -165.27 0.24 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -1.143 . . . . 0.0 110.501 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.802 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -105.22 140.11 38.87 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.527 -0.733 . . . . 0.0 109.098 179.406 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -31.9 -46.18 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.265 -0.974 . . . . 0.0 108.707 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.564 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -78.49 -39.2 38.97 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.201 -179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.802 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.68 -55.01 39.7 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.459 -1.401 . . . . 0.0 109.419 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.951 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -56.07 -52.46 64.19 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.831 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 1.1 ttm180 -46.5 -35.31 5.56 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.258 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -62.4 1.6 Allowed 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.637 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.77 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 18.5 p90 -89.01 -9.71 50.3 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.061 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.951 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.5 mt -59.75 -63.22 1.38 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.703 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 13.3 pt-20 -62.34 -44.72 95.83 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.246 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.666 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.2 t -41.42 -35.71 0.72 Allowed 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -108.1 3.01 23.42 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.301 0.572 . . . . 0.0 110.571 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 90.98 47.81 3.52 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.096 -1.601 . . . . 0.0 109.096 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.748 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 16.7 m95 34.68 30.9 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.934 0.873 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.666 ' HB3' HG12 ' A' ' 36' ' ' ILE . 17.9 t0 -86.2 156.53 20.27 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.78 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.752 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -88.44 -62.44 1.49 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.88 . . . . 0.0 110.439 -179.353 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -50.68 -38.7 48.34 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.191 -0.943 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.756 ' N ' HD13 ' A' ' 36' ' ' ILE . 1.2 mm -74.24 -70.22 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-O 122.391 1.091 . . . . 0.0 109.134 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 12' ' ' PHE . . . -44.98 -38.75 4.97 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.892 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' LEU . 34.4 mt -62.67 -51.53 66.86 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.529 -0.732 . . . . 0.0 109.502 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -42.99 -47.0 5.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.371 -0.83 . . . . 0.0 109.548 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -58.12 -62.6 1.7 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.342 -0.849 . . . . 0.0 109.615 179.544 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.079 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.286 0.1 OUTLIER -39.32 -40.03 0.73 Allowed 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.856 0.836 . . . . 0.0 110.148 178.604 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.4 m-85 -83.1 -33.07 26.43 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.587 0.708 . . . . 0.0 109.953 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.2 OUTLIER 55.6 19.95 3.58 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.728 1.252 . . . . 0.0 109.605 179.342 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.22 35.07 0.38 Allowed 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.8 69.18 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.951 -1.472 . . . . 0.0 109.597 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.322 0.582 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.486 ' HB1' ' NH1' ' A' ' 5' ' ' ARG . . . -49.69 -26.05 3.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.217 -0.927 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -32.85 1.42 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.238 -0.914 . . . . 0.0 110.178 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 22.0 mm-40 -51.32 -30.89 19.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.255 -0.903 . . . . 0.0 110.035 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.14 -47.37 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.325 -0.859 . . . . 0.0 110.12 179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 6' ' ' GLN . 4.1 mm100 -56.35 -48.69 76.28 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.366 -0.834 . . . . 0.0 109.426 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ALA . 5.3 t70 -74.17 -60.91 2.05 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.58 -0.7 . . . . 0.0 110.485 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 11' ' ' GLU . . . -41.66 -42.07 2.41 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.225 -0.922 . . . . 0.0 110.159 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -63.86 -59.64 4.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.235 -0.916 . . . . 0.0 108.743 179.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.612 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . 35.7 mmm-85 -51.89 -37.59 52.94 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.776 -1.169 . . . . 0.0 108.455 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 6.3 tp10 -53.72 -40.94 66.52 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.946 ' CZ ' ' CE1' ' A' ' 26' ' ' PHE . 25.6 t80 -71.12 -56.14 6.72 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 18' ' ' ALA . 49.0 t -50.72 -21.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 C-N-CA 118.841 -1.144 . . . . 0.0 108.146 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 11' ' ' GLU . . . -80.57 -27.4 37.49 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 38' ' ' LEU . 11.3 p -96.79 -43.53 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-O 121.964 0.888 . . . . 0.0 110.503 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.015 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -83.71 -17.91 39.7 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 13' ' ' VAL . . . 60.09 26.97 64.23 Favored Glycine 0 N--CA 1.479 1.513 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.879 ' O ' HG13 ' A' ' 13' ' ' VAL . . . -102.37 -165.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 118.566 -1.254 . . . . 0.0 110.791 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 1.5 pm0 -83.99 -166.17 1.34 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.789 0.804 . . . . 0.0 109.31 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -81.99 -47.08 13.11 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.782 0.801 . . . . 0.0 109.7 179.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -62.22 -47.64 83.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.872 -0.518 . . . . 0.0 111.383 -178.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.766 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.23 -46.74 75.98 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.944 -1.097 . . . . 0.0 109.411 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -69.05 -56.43 7.78 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.057 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.666 ' CG ' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -51.78 -21.39 2.77 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.948 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -68.4 -64.9 0.77 Allowed 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 119.744 -0.783 . . . . 0.0 109.468 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.969 ' CE1' ' HA ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -85.24 -14.41 46.82 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.385 -1.326 . . . . 0.0 110.385 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.46 -63.96 0.99 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.399 177.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.679 ' HG3' ' H ' ' A' ' 29' ' ' SER . 2.6 pp20? -56.77 -47.47 80.06 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.115 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.679 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 1.2 t -50.38 -34.65 24.93 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.934 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 36' ' ' ILE . . . -105.87 3.51 28.68 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.473 -0.767 . . . . 0.0 111.351 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' ASP . . . 92.39 44.13 4.11 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.832 ' CB ' HD23 ' A' ' 27' ' ' LEU . 19.4 m95 38.37 27.44 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.813 -0.816 . . . . 0.0 110.612 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.779 ' HB3' HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -90.68 137.08 32.64 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.102 178.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -75.17 -53.64 8.48 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.521 -0.737 . . . . 0.0 110.654 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -34.84 -49.11 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 109.936 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.916 HG23 ' H ' ' A' ' 37' ' ' ALA . 2.4 tt -79.8 -62.1 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.319 -0.863 . . . . 0.0 110.503 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.916 ' H ' HG23 ' A' ' 36' ' ' ILE . . . -55.35 -50.42 69.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.579 -0.701 . . . . 0.0 109.791 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.073 HD11 HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -56.58 -50.34 72.21 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.244 -0.91 . . . . 0.0 109.07 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -51.95 -27.94 14.92 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.673 -0.811 . . . . 0.0 108.91 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -67.8 -63.62 1.02 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.551 -0.718 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 1.015 ' CZ ' HG23 ' A' ' 16' ' ' THR 0.257 0.2 OUTLIER -40.03 -50.36 2.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.382 -0.824 . . . . 0.0 110.844 179.427 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-30 -74.22 -47.05 37.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.539 -0.726 . . . . 0.0 110.589 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 37.0 mm-40 -82.13 14.3 2.94 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.174 0.987 . . . . 0.0 110.9 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.4 t70 -99.55 29.88 3.85 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.3 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.91 59.97 0.04 OUTLIER Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 118.02 -1.433 . . . . 0.0 109.525 -179.96 . . . . . . . . 0 0 . 1 stop_ save_