data_1u57_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 1u57 _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 ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.51 78.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.435 1.494 . . . . 0.0 108.627 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -72.1 -35.13 69.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.928 0.491 . . . . 0.0 111.591 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.92 -43.82 96.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 123.47 0.708 . . . . 0.0 109.144 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.93 -57.81 11.4 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.93 -40.21 13.79 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.201 1.0 . . . . 0.0 112.081 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.42 -46.77 84.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.667 0.787 . . . . 0.0 110.822 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -39.91 65.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.293 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.4 -34.34 70.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 119.143 0.883 . . . . 0.0 108.878 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.4 t -61.59 -38.9 89.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -77.43 -39.64 46.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.57 1.148 . . . . 0.0 112.244 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -70.3 -49.39 54.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 C-N-CA 124.998 1.319 . . . . 0.0 108.243 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -35.29 78.43 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.172 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -64.33 -42.13 96.43 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.236 -0.654 . . . . 0.0 109.236 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 t -61.26 -35.72 78.04 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.49 60.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.3 0.24 . . . . 0.0 110.775 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -34.28 77.4 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -63.47 -32.39 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.375 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.14 -42.47 69.14 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.046 0.939 . . . . 0.0 111.258 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mmt -61.08 -51.01 70.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 N--CA 1.442 -0.844 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 174.428 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.98 -44.11 66.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.502 1.121 . . . . 0.0 108.834 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -69.54 -38.94 77.69 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 111.323 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -37.9 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.7 1.6 . . . . 0.0 109.205 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.6 -57.26 9.58 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.83 13.21 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.179 0.992 . . . . 0.0 112.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.74 -46.97 82.98 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.674 0.79 . . . . 0.0 110.974 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.78 65.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.575 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.46 -34.75 70.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.17 0.895 . . . . 0.0 108.843 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -38.86 89.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -77.68 -40.13 42.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.525 1.13 . . . . 0.0 112.028 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.26 -49.02 57.63 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 124.707 1.203 . . . . 0.0 108.237 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -35.1 78.61 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.888 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -63.4 -42.85 98.78 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.6 m -61.63 -30.49 70.74 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.13 -28.79 27.22 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.588 0.755 . . . . 0.0 111.344 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.11 77.11 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.14 -35.85 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.219 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -68.85 -44.18 73.91 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.594 1.158 . . . . 0.0 110.964 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -61.64 -51.35 68.86 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.443 -0.804 0 C-N-CA 127.19 2.196 . . . . 0.0 111.801 174.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.01 -34.39 64.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.5 1.52 . . . . 0.0 110.274 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -66.28 -45.19 81.29 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 118.494 0.588 . . . . 0.0 110.613 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.02 -43.32 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.909 1.284 . . . . 0.0 109.06 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.12 -54.46 46.77 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.587 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -37.22 54.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.684 0.794 . . . . 0.0 112.111 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -63.56 -48.4 77.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.807 0.843 . . . . 0.0 109.615 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 -34.52 72.55 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.095 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -78.96 6.07 10.14 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.45 1.1 . . . . 0.0 111.505 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -108.19 -37.9 5.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 172.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -78.37 -46.36 20.19 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.59 -47.33 65.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.297 17.8 m -55.75 -36.13 66.94 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 127.094 2.157 . . . . 0.0 110.52 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.8 -46.63 65.3 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 p -57.85 -36.28 72.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.625 0.77 . . . . 0.0 109.415 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.01 -34.02 66.13 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.641 0.777 . . . . 0.0 110.111 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -34.53 78.67 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.779 0.718 . . . . 0.0 109.605 174.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.83 -36.46 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.4 63.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.009 0.822 . . . . 0.0 111.667 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -37.22 74.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 N--CA 1.444 -0.74 0 C-N-CA 128.016 2.526 . . . . 0.0 108.376 174.321 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.49 73.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.456 1.103 . . . . 0.0 110.694 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -69.2 -39.52 78.59 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.795 0.725 . . . . 0.0 110.667 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.47 -42.26 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.001 0.92 . . . . 0.0 109.378 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.13 -50.86 71.51 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 118.318 -0.849 . . . . 0.0 108.935 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.54 62.78 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.1 0.864 . . . . 0.0 111.776 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -63.05 -51.77 65.38 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.665 0.786 . . . . 0.0 109.505 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.26 -38.04 81.35 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.963 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.25 -56.92 13.79 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -46.41 -43.1 16.05 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.998 0.811 . . . . 0.0 111.768 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.83 -41.8 61.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.379 1.472 . . . . 0.0 111.933 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -70.26 -51.28 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 C-N-CA 125.135 1.374 . . . . 0.0 107.496 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 87.9 m -56.4 -35.21 67.51 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 128.007 2.523 . . . . 0.0 111.209 174.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -45.71 69.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.443 0.565 . . . . 0.0 109.65 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -60.6 -23.49 64.75 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.359 0.664 . . . . 0.0 110.638 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.15 17.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.808 0.843 . . . . 0.0 110.313 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -33.8 74.92 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mm -58.07 -40.27 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.112 0.965 . . . . 0.0 108.657 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 mmt -70.81 -40.77 72.28 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.676 1.19 . . . . 0.0 110.925 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.05 -50.49 71.79 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 N--CA 1.443 -0.82 0 C-N-CA 126.919 2.088 . . . . 0.0 109.908 174.73 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.15 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.741 1.216 . . . . 0.0 110.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm105 -67.75 -41.67 82.99 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.723 0.692 . . . . 0.0 110.437 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.0 -40.99 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.166 0.986 . . . . 0.0 109.673 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.26 -52.45 64.68 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.147 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.26 -37.56 55.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.611 0.764 . . . . 0.0 111.994 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -63.2 -47.63 81.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.893 0.877 . . . . 0.0 110.019 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -34.6 71.92 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.301 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mmm -78.19 4.24 13.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.464 1.106 . . . . 0.0 111.515 175.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 t -106.44 -35.41 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -83.33 -44.86 14.42 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.152 1.781 . . . . 0.0 112.669 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.91 -50.26 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.283 10.3 m -55.97 -34.91 66.16 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 128.898 2.879 . . . . 0.0 111.432 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.95 -40.89 71.75 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.144 0.429 . . . . 0.0 110.216 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.21 -38.29 82.89 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.99 69.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.129 0.572 . . . . 0.0 110.726 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -34.17 77.37 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 121.331 -0.855 . . . . 0.0 110.074 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mm -72.95 -7.85 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 C-N-CA 123.445 0.698 . . . . 0.0 110.262 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -29.11 11.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 ptm -76.46 -40.67 49.77 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 N--CA 1.445 -0.682 0 C-N-CA 128.068 2.547 . . . . 0.0 107.994 174.108 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.79 84.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.262 1.425 . . . . 0.0 107.647 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -74.42 -38.97 62.9 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 117.966 0.348 . . . . 0.0 110.145 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.81 -42.95 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.662 0.785 . . . . 0.0 108.992 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.71 -55.05 37.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.29 -39.69 46.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.623 0.769 . . . . 0.0 112.062 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.11 -46.64 86.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.223 1.009 . . . . 0.0 109.93 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.41 73.21 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.114 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -79.53 6.39 10.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.713 1.205 . . . . 0.0 111.807 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -109.13 -35.67 6.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -82.15 -45.98 14.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.065 1.746 . . . . 0.0 112.202 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.81 -49.55 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.288 12.2 m -56.52 -33.56 66.17 Favored 'General case' 0 N--CA 1.42 -1.946 0 C-N-CA 128.873 2.869 . . . . 0.0 111.676 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -71.14 -41.66 70.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 118.382 0.537 . . . . 0.0 109.801 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.54 -37.88 82.64 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -26.87 61.76 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.17 0.188 . . . . 0.0 110.847 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -31.45 71.36 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.69 -30.11 49.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.5 -43.57 59.8 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.127 0.971 . . . . 0.0 110.974 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -37.47 86.41 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 N--CA 1.441 -0.902 0 C-N-CA 127.625 2.37 . . . . 0.0 108.322 174.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.57 73.53 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -69.67 -41.83 74.95 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 118.271 0.487 . . . . 0.0 111.064 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -37.66 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.801 1.241 . . . . 0.0 109.342 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.8 -53.09 44.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.95 -37.88 47.18 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.34 0.656 . . . . 0.0 112.202 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.8 -49.42 75.03 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.737 0.815 . . . . 0.0 110.002 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.0 79.53 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.685 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.0 mmt -80.5 1.02 31.12 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.407 1.083 . . . . 0.0 111.876 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.1 p -115.63 -7.62 12.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.292 1.037 . . . . 0.0 109.147 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -101.18 -48.04 4.53 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.174 1.789 . . . . 0.0 112.234 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.6 t -68.69 -51.36 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 C-N-CA 125.158 1.383 . . . . 0.0 107.413 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.264 5.5 m -56.94 -29.4 63.1 Favored 'General case' 0 N--CA 1.42 -1.947 0 C-N-CA 128.009 2.524 . . . . 0.0 111.874 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -42.63 48.5 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.271 0.628 . . . . 0.0 110.269 174.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 t -58.76 -36.04 73.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -32.0 72.95 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 120.573 -1.33 . . . . 0.0 107.43 173.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 mt -66.26 -38.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.017 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.4 ptp -74.73 -30.3 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.833 1.197 . . . . 0.0 111.179 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -38.14 69.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.42 0.554 . . . . 0.0 109.963 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 N--CA 1.446 -0.658 0 C-N-CA 128.118 2.567 . . . . 0.0 109.499 174.751 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -39.95 69.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.94 -43.35 79.29 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.482 0.583 . . . . 0.0 111.143 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -38.38 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.613 1.565 . . . . 0.0 109.589 -174.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 tp -66.82 -54.25 24.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.85 -39.13 52.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.9 -43.68 87.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.213 1.005 . . . . 0.0 110.385 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.56 75.64 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.696 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.4 mmt -76.56 1.99 15.19 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.905 1.682 . . . . 0.0 111.226 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 t -107.07 -23.75 12.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.138 1.375 . . . . 0.0 107.92 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -95.34 -41.88 8.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.935 1.694 . . . . 0.0 112.878 -176.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.4 -44.8 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 124.938 1.295 . . . . 0.0 108.294 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.321 32.5 p -58.81 -35.51 72.98 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 127.153 2.181 . . . . 0.0 110.025 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.33 -41.65 66.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.681 0.792 . . . . 0.0 110.137 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -61.72 -29.96 70.45 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.37 -30.49 27.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.79 1.236 . . . . 0.0 111.155 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -34.75 78.02 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.96 -35.25 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.358 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.23 -42.03 80.37 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.139 0.881 . . . . 0.0 110.861 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 mmt -60.83 -51.07 70.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 N--CA 1.449 -0.508 0 C-N-CA 129.376 3.07 . . . . 0.0 113.052 174.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 mttt . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.6 -40.44 66.54 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 174.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -68.21 -44.45 75.75 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 111.271 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -37.78 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.217 1.807 . . . . 0.0 109.382 -174.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.34 -51.34 53.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.11 60.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.225 0.92 . . . . 0.0 111.765 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.59 -49.08 76.64 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.099 0.96 . . . . 0.0 110.038 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.36 71.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.194 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.5 mmm -61.83 -56.13 22.67 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -47.8 -41.78 24.4 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 124.2 0.938 . . . . 0.0 112.124 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -71.13 -45.32 63.83 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 111.571 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.41 -48.48 77.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 C-N-CA 125.135 1.374 . . . . 0.0 108.006 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.276 99.8 m -58.14 -35.72 71.93 Favored 'General case' 0 N--CA 1.423 -1.799 0 C-N-CA 128.389 2.676 . . . . 0.0 111.143 174.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -45.2 67.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.164 0.586 . . . . 0.0 110.166 174.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.19 -27.81 67.44 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.463 0.705 . . . . 0.0 110.141 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.18 -27.72 22.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.977 0.911 . . . . 0.0 111.144 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.22 75.48 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 174.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.81 -41.38 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.33 -41.56 93.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -41.27 90.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 N--CA 1.443 -0.805 0 C-N-CA 127.842 2.457 . . . . 0.0 111.769 -179.086 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -36.45 65.36 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.183 1.393 . . . . 0.0 110.386 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -70.16 -37.43 75.2 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.544 0.611 . . . . 0.0 111.05 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.13 -43.46 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.978 1.311 . . . . 0.0 109.464 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.11 -53.09 61.9 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.637 -0.696 . . . . 0.0 109.425 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.15 51.87 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.066 0.946 . . . . 0.0 112.052 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.59 -47.06 83.0 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.689 0.796 . . . . 0.0 110.018 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.43 76.12 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.071 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 mmt -77.78 3.6 13.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.814 1.246 . . . . 0.0 111.667 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -104.35 -38.55 6.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 173.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -79.09 -47.47 16.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.713 2.005 . . . . 0.0 112.425 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.04 -49.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.281 9.1 m -55.07 -36.8 66.0 Favored 'General case' 0 N--CA 1.42 -1.928 0 C-N-CA 128.939 2.896 . . . . 0.0 111.515 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -45.55 67.3 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 122.926 0.49 . . . . 0.0 110.059 174.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 t -58.95 -32.05 69.26 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 123.162 0.585 . . . . 0.0 109.719 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.27 34.2 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.561 0.745 . . . . 0.0 111.106 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -31.46 72.06 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.9 mm -62.38 -33.42 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.2 mmm -70.89 -48.02 56.04 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.383 1.073 . . . . 0.0 110.469 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.52 76.13 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.914 0.486 . . . . 0.0 109.832 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.442 -0.871 0 C-N-CA 127.588 2.355 . . . . 0.0 110.183 174.695 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.21 65.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.264 1.025 . . . . 0.0 108.925 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -69.05 -40.43 78.55 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 117.911 0.323 . . . . 0.0 111.315 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -38.31 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 125.769 1.627 . . . . 0.0 108.901 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.28 -58.25 7.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.63 15.37 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 124.135 0.974 . . . . 0.0 111.971 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.775 0.83 . . . . 0.0 111.047 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -39.0 60.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.589 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -72.27 -36.3 68.96 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.424 1.011 . . . . 0.0 109.065 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.6 p -64.45 -31.03 72.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.182 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -80.69 -39.92 26.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.098 0.959 . . . . 0.0 112.565 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.87 -48.61 62.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 C-N-CA 125.013 1.325 . . . . 0.0 108.075 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -35.77 78.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 174.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -65.42 -39.77 92.54 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 t -61.84 -34.95 76.89 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.38 -27.5 41.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.405 0.682 . . . . 0.0 111.595 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -33.27 75.37 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mt -61.46 -38.05 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.0 mmm -65.14 -44.11 89.68 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 118.85 0.75 . . . . 0.0 109.765 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -66.6 -36.17 81.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.391 0.432 . . . . 0.0 109.867 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 N--CA 1.442 -0.831 0 C-N-CA 127.648 2.379 . . . . 0.0 111.226 178.02 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 103.373 -2.825 . . . . 0.0 103.373 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.41 82.21 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.666 1.587 . . . . 0.0 107.655 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.71 -43.25 69.34 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 121.153 0.501 . . . . 0.0 110.427 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.85 -41.64 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.279 1.032 . . . . 0.0 109.216 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.5 -53.64 51.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.71 51.03 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.844 0.747 . . . . 0.0 111.803 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.06 -47.29 80.72 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.481 1.113 . . . . 0.0 110.428 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.73 77.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.889 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.6 mmm -77.1 -2.73 35.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.619 1.167 . . . . 0.0 111.531 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.2 m -103.38 -19.18 14.53 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -96.98 -49.26 5.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.812 1.645 . . . . 0.0 112.715 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.85 -49.36 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 125.621 1.568 . . . . 0.0 107.831 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 14.1 m -55.97 -33.16 64.54 Favored 'General case' 0 N--CA 1.42 -1.93 0 C-N-CA 127.959 2.504 . . . . 0.0 111.451 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -43.05 59.76 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.778 0.831 . . . . 0.0 110.605 174.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -59.24 -34.47 72.24 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.01 -28.83 39.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.831 0.852 . . . . 0.0 111.739 174.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -33.41 75.9 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.88 -36.05 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 117.931 -1.033 . . . . 0.0 108.276 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.01 -43.32 88.03 Favored 'General case' 0 C--N 1.337 0.033 0 CA-C-N 119.441 1.019 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -32.12 73.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.207 0.603 . . . . 0.0 110.383 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.445 -0.723 0 C-N-CA 127.788 2.435 . . . . 0.0 111.949 -179.695 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.23 70.06 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -68.7 -41.8 78.65 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.4 0.545 . . . . 0.0 111.28 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -37.3 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.643 1.577 . . . . 0.0 109.229 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.89 -56.82 9.83 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.22 -41.32 18.1 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.486 1.115 . . . . 0.0 112.036 -177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.4 -43.23 98.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.51 1.124 . . . . 0.0 111.078 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.04 55.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.122 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -84.63 13.48 5.62 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 119.141 0.882 . . . . 0.0 111.922 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 p -118.39 -32.33 4.67 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.755 1.622 . . . . 0.0 106.65 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -79.72 -49.26 12.34 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.79 1.636 . . . . 0.0 111.961 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.47 -48.46 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -54.99 -37.03 66.03 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 129.078 2.951 . . . . 0.0 111.742 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.93 -46.23 65.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.077 0.465 . . . . 0.0 109.932 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 t -58.56 -30.39 67.12 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.334 0.654 . . . . 0.0 109.901 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.75 -28.63 28.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.556 0.743 . . . . 0.0 111.062 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.63 76.94 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.092 0.86 . . . . 0.0 108.732 174.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.08 -37.87 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.265 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.2 mmm -68.04 -41.64 81.75 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.867 0.867 . . . . 0.0 110.8 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -60.71 -48.97 79.4 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.751 0.82 . . . . 0.0 108.894 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 N--CA 1.445 -0.679 0 C-N-CA 127.771 2.428 . . . . 0.0 111.212 174.784 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.1 63.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.466 1.106 . . . . 0.0 110.242 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -67.14 -43.24 82.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 118.681 0.673 . . . . 0.0 110.408 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.37 -42.64 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.756 1.222 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.24 -54.18 49.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.247 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.51 -41.19 60.82 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.825 0.739 . . . . 0.0 111.74 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -62.07 -47.76 83.22 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.975 0.91 . . . . 0.0 110.062 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -37.15 72.51 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.253 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.54 -47.36 84.26 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -57.22 -38.92 74.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.58 0.55 . . . . 0.0 111.242 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -77.59 -38.21 48.78 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.546 0.738 . . . . 0.0 112.41 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.04 -49.38 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 125.531 1.532 . . . . 0.0 108.065 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -33.44 75.33 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.022 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -66.78 -40.28 88.12 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 t -60.52 -35.08 75.12 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.59 39.4 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -35.32 78.1 Favored 'General case' 0 C--O 1.227 -0.128 0 O-C-N 120.642 -1.286 . . . . 0.0 107.719 174.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.63 -37.25 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-O 117.259 -1.353 . . . . 0.0 110.234 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -73.85 -29.4 62.09 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.362 1.437 . . . . 0.0 111.68 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -68.33 -55.17 12.99 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 N--CA 1.444 -0.746 0 C-N-CA 127.635 2.374 . . . . 0.0 110.284 174.648 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.69 91.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.32 1.848 . . . . 0.0 109.519 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -71.62 -36.76 70.87 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.811 0.445 . . . . 0.0 111.37 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.69 -44.28 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.097 0.959 . . . . 0.0 109.31 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.15 44.44 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 111.799 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.69 -47.02 85.46 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.906 0.883 . . . . 0.0 110.295 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.58 80.12 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.567 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 mmt -79.04 1.36 24.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.813 1.245 . . . . 0.0 111.741 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -111.19 -12.98 14.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.082 1.353 . . . . 0.0 108.702 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -101.79 -47.59 4.56 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 126.04 1.736 . . . . 0.0 112.244 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.26 -51.79 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 C-N-CA 125.423 1.489 . . . . 0.0 107.186 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -54.43 -34.32 61.16 Favored 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 128.302 2.641 . . . . 0.0 111.51 174.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -44.64 62.62 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.221 0.608 . . . . 0.0 110.281 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 t -59.85 -28.86 67.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.992 0.517 . . . . 0.0 110.014 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 -28.98 25.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.715 0.806 . . . . 0.0 110.873 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.84 75.66 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 119.132 0.878 . . . . 0.0 108.672 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.8 -34.26 58.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.137 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -72.99 -40.85 64.88 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.365 1.066 . . . . 0.0 111.359 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.5 mmm -61.74 -49.64 75.63 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.44 -0.935 0 C-N-CA 126.924 2.09 . . . . 0.0 108.738 174.326 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.03 70.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.924 1.29 . . . . 0.0 110.61 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -69.34 -39.64 78.02 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.463 0.574 . . . . 0.0 110.694 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.36 -43.16 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.877 0.871 . . . . 0.0 109.454 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.21 -53.05 62.67 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.519 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.75 61.05 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.114 0.87 . . . . 0.0 111.937 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.33 -47.25 82.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.875 0.87 . . . . 0.0 110.023 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.65 73.22 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.183 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 75.2 mmm -63.28 -55.54 23.89 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -51.64 -37.01 48.43 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.061 0.851 . . . . 0.0 112.055 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.27 -44.95 62.04 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.7 1.2 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.96 -48.85 73.21 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 125.204 1.402 . . . . 0.0 107.896 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 99.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.423 -1.801 0 C-N-CA 128.513 2.725 . . . . 0.0 110.925 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -45.27 71.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.241 0.473 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 t -59.38 -31.27 69.07 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.218 0.607 . . . . 0.0 109.758 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.47 -27.47 31.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.365 0.666 . . . . 0.0 111.122 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -31.93 73.22 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.15 -34.04 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.67 -43.01 66.77 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.624 1.17 . . . . 0.0 110.688 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -37.04 80.84 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -178.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 N--CA 1.445 -0.68 0 C-N-CA 128.29 2.636 . . . . 0.0 109.945 174.671 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.35 76.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.781 1.633 . . . . 0.0 108.802 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -67.85 -43.61 79.1 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 122.942 0.497 . . . . 0.0 111.098 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.52 -42.72 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 124.628 1.171 . . . . 0.0 108.951 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.0 -58.68 7.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.94 -38.18 16.08 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.501 1.12 . . . . 0.0 112.28 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.26 -46.16 81.63 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.903 0.881 . . . . 0.0 110.781 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.46 63.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.171 0.988 . . . . 0.0 112.452 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -84.24 13.22 5.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.92 0.782 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -115.04 -37.17 4.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 106.435 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -78.23 -49.05 14.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.105 1.762 . . . . 0.0 111.633 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.32 -47.85 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -55.44 -36.4 66.49 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 128.51 2.724 . . . . 0.0 111.62 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.13 -46.32 65.03 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.131 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.1 m -58.53 -31.89 68.36 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.522 0.729 . . . . 0.0 109.83 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.24 -27.36 35.26 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.191 0.596 . . . . 0.0 110.691 174.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -31.11 71.61 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.22 -33.83 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mmm -72.56 -45.38 59.51 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.883 1.273 . . . . 0.0 110.781 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -35.27 79.99 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 N--CA 1.438 -1.05 0 C-N-CA 126.897 2.079 . . . . 0.0 109.154 174.589 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.44 74.42 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.216 1.406 . . . . 0.0 108.799 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -68.66 -44.76 73.43 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.277 0.631 . . . . 0.0 111.249 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -38.45 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.233 1.813 . . . . 0.0 109.309 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.01 -51.77 50.81 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -38.72 57.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.204 0.911 . . . . 0.0 111.927 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.03 -45.1 86.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.491 1.116 . . . . 0.0 110.656 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.94 68.98 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.13 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.0 mmm -63.03 -54.88 31.32 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -50.59 -37.88 42.49 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.791 0.682 . . . . 0.0 111.708 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -72.96 -43.28 62.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.03 1.332 . . . . 0.0 112.138 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.74 -50.42 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 C-N-CA 125.222 1.409 . . . . 0.0 107.688 -174.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 88.0 m -56.12 -36.56 68.35 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 128.267 2.627 . . . . 0.0 111.094 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -41.31 71.92 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.027 0.531 . . . . 0.0 110.63 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 t -61.35 -36.41 80.1 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.15 63.64 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.896 0.478 . . . . 0.0 110.423 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.05 74.91 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 118.769 0.713 . . . . 0.0 109.345 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 mt -64.41 -39.93 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 118.293 -0.861 . . . . 0.0 108.742 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.42 64.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.529 0.604 . . . . 0.0 111.197 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -71.14 -43.72 67.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.443 -0.815 0 C-N-CA 127.239 2.215 . . . . 0.0 109.811 174.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -42.72 66.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -69.46 -39.59 77.66 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.261 0.224 . . . . 0.0 111.365 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.61 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.413 1.485 . . . . 0.0 109.64 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.04 -54.58 20.27 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -40.05 40.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.63 0.772 . . . . 0.0 111.926 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -62.53 -46.03 90.26 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.269 1.028 . . . . 0.0 110.515 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.62 71.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.959 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.91 1.87 25.56 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.194 1.398 . . . . 0.0 111.382 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -109.24 -18.58 13.57 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.784 1.634 . . . . 0.0 107.993 173.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -97.93 -44.49 6.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.903 1.681 . . . . 0.0 112.261 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.2 -46.54 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -57.71 -38.99 76.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.65 1.18 . . . . 0.0 111.765 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.12 -41.17 90.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.297 0.639 . . . . 0.0 110.31 175.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.87 -29.55 70.27 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.85 -29.28 27.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.009 0.924 . . . . 0.0 111.34 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.22 77.35 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -60.56 -37.74 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.238 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.12 -43.23 87.75 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.793 0.837 . . . . 0.0 110.636 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.2 -51.45 68.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 N--CA 1.445 -0.682 0 C-N-CA 127.638 2.375 . . . . 0.0 111.981 174.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 119.731 -0.176 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -76.64 71.13 3.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.808 1.243 . . . . 0.0 108.321 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.12 12.89 0.48 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.01 -46.14 79.01 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 126.276 1.83 . . . . 0.0 109.002 174.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -65.99 -30.93 71.57 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.062 1.345 . . . . 0.0 111.603 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -72.49 -43.48 63.59 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.728 0.811 . . . . 0.0 109.918 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.67 -50.06 64.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.007 0.923 . . . . 0.0 110.854 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.62 57.46 4.36 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.631 1.172 . . . . 0.0 110.549 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -134.34 -8.9 2.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.702 1.601 . . . . 0.0 112.545 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.54 -33.89 2.5 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.3 1.429 . . . . 0.0 110.815 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.5 -42.56 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 123.788 0.835 . . . . 0.0 111.744 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.74 -83.63 1.58 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.43 162.77 27.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -64.31 -75.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.723 2.282 . . . . 0.0 107.708 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.25 -44.47 1.11 Allowed Glycine 0 C--N 1.339 0.738 0 C-N-CA 130.325 3.821 . . . . 0.0 113.903 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -117.75 -34.31 4.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 127.677 2.391 . . . . 0.0 107.774 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -62.99 -24.23 67.81 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.51 78.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.435 1.494 . . . . 0.0 108.627 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -72.1 -35.13 69.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.928 0.491 . . . . 0.0 111.591 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.92 -43.82 96.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 123.47 0.708 . . . . 0.0 109.144 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.93 -57.81 11.4 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.93 -40.21 13.79 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.201 1.0 . . . . 0.0 112.081 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.42 -46.77 84.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.667 0.787 . . . . 0.0 110.822 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -39.91 65.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.293 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.4 -34.34 70.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 119.143 0.883 . . . . 0.0 108.878 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.4 t -61.59 -38.9 89.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -77.43 -39.64 46.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.57 1.148 . . . . 0.0 112.244 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -70.3 -49.39 54.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 C-N-CA 124.998 1.319 . . . . 0.0 108.243 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -35.29 78.43 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.172 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -64.33 -42.13 96.43 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.236 -0.654 . . . . 0.0 109.236 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 t -61.26 -35.72 78.04 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.49 60.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.3 0.24 . . . . 0.0 110.775 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -34.28 77.4 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -63.47 -32.39 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.375 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.14 -42.47 69.14 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.046 0.939 . . . . 0.0 111.258 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mmt -61.08 -51.01 70.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -51.47 -40.31 59.23 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -77.65 63.65 2.79 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 124.111 1.91 . . . . 0.0 109.016 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.67 -57.97 0.21 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 127.425 2.441 . . . . 0.0 107.654 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -79.77 56.64 2.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.014 1.326 . . . . 0.0 109.188 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -170.36 -58.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 127.5 2.32 . . . . 0.0 106.166 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ttp-105 -51.14 -55.4 17.99 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.423 1.489 . . . . 0.0 110.775 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -65.79 -45.83 80.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.321 1.048 . . . . 0.0 110.125 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -65.58 177.75 1.14 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.892 1.677 . . . . 0.0 113.947 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.0 29.41 17.66 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.259 1.824 . . . . 0.0 111.591 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -116.13 -125.95 0.29 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.9 mm -104.12 77.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 128.673 2.789 . . . . 0.0 106.017 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.958 -1.496 . . . . 0.0 109.457 -174.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.462 ' H2 ' HD23 ' A' ' 1' ' ' LEU . 2.2 mm? . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.562 -0.162 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.9 62.66 1.61 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.052 1.341 . . . . 0.0 111.883 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.63 12.11 0.7 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -104.07 -49.99 3.48 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.356 2.662 . . . . 0.0 108.458 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.3 mtp -65.94 -39.75 90.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.621 1.168 . . . . 0.0 110.354 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 m -66.43 -39.6 89.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.923 0.889 . . . . 0.0 110.045 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -63.24 1.1 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.974 0.509 . . . . 0.0 109.877 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -87.13 59.91 5.87 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.913 1.285 . . . . 0.0 109.717 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.05 178.08 8.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.919 1.287 . . . . 0.0 111.107 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.73 28.12 4.09 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.203 0.906 . . . . 0.0 113.163 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.81 -32.74 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.867 0.867 . . . . 0.0 111.304 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.77 92.05 0.86 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.51 163.38 22.97 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.44 0.543 . . . . 0.0 111.992 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.46 -51.37 10.65 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 124.966 3.778 . . . . 0.0 112.343 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.47 -37.03 12.18 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.245 1.403 . . . . 0.0 113.385 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -88.87 -33.56 17.29 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 118.088 0.944 . . . . 0.0 111.609 174.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -59.5 -28.11 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.099 0.863 . . . . 0.0 109.818 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.98 -44.11 66.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.502 1.121 . . . . 0.0 108.834 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -69.54 -38.94 77.69 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 111.323 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -37.9 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.7 1.6 . . . . 0.0 109.205 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.6 -57.26 9.58 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.83 13.21 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.179 0.992 . . . . 0.0 112.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.74 -46.97 82.98 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.674 0.79 . . . . 0.0 110.974 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.78 65.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.575 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.46 -34.75 70.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.17 0.895 . . . . 0.0 108.843 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -38.86 89.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -77.68 -40.13 42.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.525 1.13 . . . . 0.0 112.028 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.26 -49.02 57.63 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 124.707 1.203 . . . . 0.0 108.237 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -35.1 78.61 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.888 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -63.4 -42.85 98.78 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.6 m -61.63 -30.49 70.74 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.13 -28.79 27.22 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.588 0.755 . . . . 0.0 111.344 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.11 77.11 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.14 -35.85 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.219 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -68.85 -44.18 73.91 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.594 1.158 . . . . 0.0 110.964 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -61.64 -51.35 68.86 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.09 -27.8 55.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.19 2.196 . . . . 0.0 111.801 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.04 48.19 0.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.28 1.832 . . . . 0.0 112.191 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.7 -57.43 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.37 2.414 . . . . 0.0 108.365 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.05 62.79 3.55 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.92 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -176.73 -54.87 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.218 2.207 . . . . 0.0 106.725 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.79 -55.34 35.6 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.262 1.825 . . . . 0.0 110.48 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.4 -46.18 77.44 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.425 1.09 . . . . 0.0 109.7 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -52.61 -65.59 0.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.791 1.636 . . . . 0.0 111.325 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.44 71.03 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.693 1.597 . . . . 0.0 108.843 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -93.45 -125.2 0.1 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.4 mm -87.79 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 C-N-CA 127.275 2.23 . . . . 0.0 106.93 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.297 1.439 . . . . 0.0 109.759 -178.674 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 155.06 25.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.241 1.016 . . . . 0.0 110.903 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.78 11.13 0.55 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mtt -71.25 -46.65 60.51 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 126.277 1.831 . . . . 0.0 108.637 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.1 mtp -66.6 -36.15 81.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.848 1.259 . . . . 0.0 110.624 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.6 m -67.83 -38.15 82.84 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.999 0.92 . . . . 0.0 110.411 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.65 54.95 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.363 0.665 . . . . 0.0 110.924 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -110.18 70.25 0.72 Allowed 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.437 1.495 . . . . 0.0 109.534 -174.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.73 75.94 2.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.255 1.022 . . . . 0.0 109.678 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.45 -53.84 40.82 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.333 8.6 p 42.73 48.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.33 0 C-N-CA 128.015 2.526 . . . . 0.0 110.41 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.99 -46.62 1.03 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.299 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.36 157.89 33.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -55.55 -53.72 5.29 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 124.772 3.648 . . . . 0.0 112.804 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.83 -41.87 20.95 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.975 1.274 . . . . 0.0 113.047 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -85.46 -31.59 22.74 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 117.52 0.66 . . . . 0.0 111.76 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -60.83 -32.21 71.6 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.01 -34.39 64.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.5 1.52 . . . . 0.0 110.274 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -66.28 -45.19 81.29 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 118.494 0.588 . . . . 0.0 110.613 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.02 -43.32 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.909 1.284 . . . . 0.0 109.06 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.12 -54.46 46.77 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.587 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -37.22 54.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.684 0.794 . . . . 0.0 112.111 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -63.56 -48.4 77.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.807 0.843 . . . . 0.0 109.615 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 -34.52 72.55 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.095 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -78.96 6.07 10.14 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.45 1.1 . . . . 0.0 111.505 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -108.19 -37.9 5.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 172.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -78.37 -46.36 20.19 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.59 -47.33 65.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.297 17.8 m -55.75 -36.13 66.94 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 127.094 2.157 . . . . 0.0 110.52 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.8 -46.63 65.3 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 p -57.85 -36.28 72.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.625 0.77 . . . . 0.0 109.415 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.01 -34.02 66.13 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.641 0.777 . . . . 0.0 110.111 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -34.53 78.67 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.779 0.718 . . . . 0.0 109.605 174.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.83 -36.46 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.4 63.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.009 0.822 . . . . 0.0 111.667 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -37.22 74.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -65.21 -39.15 92.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 128.016 2.526 . . . . 0.0 108.376 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -81.52 48.03 1.12 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 109.61 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -162.3 -62.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 C-N-CA 126.952 2.215 . . . . 0.0 108.538 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 24.22 45.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 129.411 3.085 . . . . 0.0 116.212 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -172.36 -61.77 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.958 1.703 . . . . 0.0 106.937 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -71.25 -41.98 69.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.672 1.189 . . . . 0.0 108.824 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -66.18 -32.18 73.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 126.12 1.768 . . . . 0.0 111.308 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -61.44 177.73 0.36 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.797 1.639 . . . . 0.0 113.37 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 59.12 57.5 3.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.015 1.326 . . . . 0.0 108.811 -174.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 32.4 ttmt -109.98 -125.35 0.27 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.31 2.244 . . . . 0.0 105.776 -174.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.1 mm -131.58 141.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 C-N-CA 130.218 3.407 . . . . 0.0 106.867 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.7 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.203 -1.38 . . . . 0.0 108.821 179.056 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' A' ' 4' ' ' MET . 97.3 mt-10 -76.3 78.2 3.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.949 0.9 . . . . 0.0 108.703 174.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.91 14.08 0.24 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 117.795 2.517 . . . . 0.0 117.795 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' GLU . 2.4 mpt? -65.98 -53.87 33.4 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 127.633 2.373 . . . . 0.0 108.835 174.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.6 ptm -63.13 -31.57 72.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.858 1.263 . . . . 0.0 111.29 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -69.6 -39.58 77.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.721 0.808 . . . . 0.0 110.128 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -63.18 1.16 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.303 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -88.24 54.02 2.93 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.656 0.741 . . . . 0.0 111.098 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -80.54 -39.53 27.6 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.308 1.043 . . . . 0.0 110.932 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.23 49.91 19.02 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.25 -37.84 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.906 0.882 . . . . 0.0 111.195 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.19 -36.0 3.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.374 0.988 . . . . 0.0 111.649 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.5 154.47 18.94 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.697 1.618 . . . . 0.0 109.815 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -65.32 -64.42 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.547 2.832 . . . . 0.0 111.733 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.71 -34.64 36.77 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.063 1.316 . . . . 0.0 112.327 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -78.56 -35.17 46.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.339 0.655 . . . . 0.0 111.653 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.05 -36.85 82.88 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.49 73.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.456 1.103 . . . . 0.0 110.694 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -69.2 -39.52 78.59 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.795 0.725 . . . . 0.0 110.667 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.47 -42.26 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.001 0.92 . . . . 0.0 109.378 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.13 -50.86 71.51 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 118.318 -0.849 . . . . 0.0 108.935 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.54 62.78 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.1 0.864 . . . . 0.0 111.776 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -63.05 -51.77 65.38 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.665 0.786 . . . . 0.0 109.505 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.26 -38.04 81.35 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.963 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.25 -56.92 13.79 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -46.41 -43.1 16.05 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.998 0.811 . . . . 0.0 111.768 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.83 -41.8 61.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.379 1.472 . . . . 0.0 111.933 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.0 t -70.26 -51.28 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 C-N-CA 125.135 1.374 . . . . 0.0 107.496 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 87.9 m -56.4 -35.21 67.51 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 128.007 2.523 . . . . 0.0 111.209 174.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -45.71 69.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.443 0.565 . . . . 0.0 109.65 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -60.6 -23.49 64.75 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.359 0.664 . . . . 0.0 110.638 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.15 17.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.808 0.843 . . . . 0.0 110.313 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -33.8 74.92 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mm -58.07 -40.27 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.112 0.965 . . . . 0.0 108.657 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 mmt -70.81 -40.77 72.28 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.676 1.19 . . . . 0.0 110.925 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.05 -50.49 71.79 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -54.27 -39.02 66.49 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 126.919 2.088 . . . . 0.0 109.908 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.9 48.63 1.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.864 2.065 . . . . 0.0 109.41 174.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.41 -69.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.745 2.593 . . . . 0.0 108.279 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -82.05 55.55 2.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.18 0.992 . . . . 0.0 110.76 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -159.2 -52.2 0.06 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.048 1.739 . . . . 0.0 107.235 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -59.59 -45.23 92.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.767 1.227 . . . . 0.0 109.671 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -63.8 -44.77 92.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.676 1.191 . . . . 0.0 109.927 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -69.0 -171.35 0.3 Allowed 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.82 1.648 . . . . 0.0 111.865 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 70.02 80.1 0.18 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.554 1.542 . . . . 0.0 110.436 174.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -86.6 53.12 2.7 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.511 1.924 . . . . 0.0 107.984 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm 68.27 60.66 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.219 2.208 . . . . 0.0 108.551 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.251 1.132 0 C-N-CA 125.415 1.486 . . . . 0.0 107.755 177.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.769 -0.086 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -65.49 175.82 1.66 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.012 0.925 . . . . 0.0 110.874 174.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -68.49 11.37 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.403 ' H ' ' C ' ' A' ' 2' ' ' GLU . 27.9 ttt -70.11 -37.65 75.41 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.618 1.967 . . . . 0.0 108.61 174.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.6 ptm -65.3 -24.3 67.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.909 1.284 . . . . 0.0 111.4 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 m -86.33 -39.83 16.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.951 0.5 . . . . 0.0 110.008 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.67 -20.36 33.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.251 1.42 . . . . 0.0 113.644 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -85.1 -138.83 0.07 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -8.73 111.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 130.965 3.706 . . . . 0.0 114.801 -174.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.6 -57.45 0.72 Allowed Glycine 0 C--N 1.338 0.678 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.68 -30.04 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.72 0.808 . . . . 0.0 111.269 174.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.67 47.28 0.56 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.0 -176.99 43.76 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.214 0.911 . . . . 0.0 111.48 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.55 -57.43 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.731 2.954 . . . . 0.0 110.406 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.06 -30.82 17.27 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.532 1.539 . . . . 0.0 113.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -81.63 -37.83 26.95 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.272 1.036 . . . . 0.0 111.501 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -60.46 -36.75 78.99 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.15 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.741 1.216 . . . . 0.0 110.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm105 -67.75 -41.67 82.99 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.723 0.692 . . . . 0.0 110.437 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.0 -40.99 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.166 0.986 . . . . 0.0 109.673 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.26 -52.45 64.68 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.147 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.26 -37.56 55.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.611 0.764 . . . . 0.0 111.994 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -63.2 -47.63 81.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.893 0.877 . . . . 0.0 110.019 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -34.6 71.92 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.301 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mmm -78.19 4.24 13.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.464 1.106 . . . . 0.0 111.515 175.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 t -106.44 -35.41 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -83.33 -44.86 14.42 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.152 1.781 . . . . 0.0 112.669 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.91 -50.26 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.283 10.3 m -55.97 -34.91 66.16 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 128.898 2.879 . . . . 0.0 111.432 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.95 -40.89 71.75 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.144 0.429 . . . . 0.0 110.216 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.21 -38.29 82.89 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.99 69.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.129 0.572 . . . . 0.0 110.726 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -34.17 77.37 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 121.331 -0.855 . . . . 0.0 110.074 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mm -72.95 -7.85 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 C-N-CA 123.445 0.698 . . . . 0.0 110.262 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -29.11 11.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 ptm -76.46 -40.67 49.77 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.14 -42.91 91.78 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 128.068 2.547 . . . . 0.0 107.994 174.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 50.28 1.37 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.681 2.792 . . . . 0.0 109.657 175.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.39 -59.19 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 C-N-CA 127.25 2.357 . . . . 0.0 107.533 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.0 57.16 2.56 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.067 1.347 . . . . 0.0 109.232 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -178.05 -51.76 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.301 2.24 . . . . 0.0 107.162 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -65.27 -55.73 16.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.155 1.382 . . . . 0.0 110.919 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.12 -44.89 90.85 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.419 1.087 . . . . 0.0 109.567 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -51.83 -42.68 62.73 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.169 1.788 . . . . 0.0 110.712 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 72.77 47.55 0.22 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.274 2.23 . . . . 0.0 108.414 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -104.51 51.43 0.77 Allowed 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.921 2.088 . . . . 0.0 107.286 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -77.4 74.57 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 125.006 1.322 . . . . 0.0 109.549 -174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 116.895 -1.526 . . . . 0.0 109.159 177.656 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.579 -0.156 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -76.19 81.65 2.99 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -74.36 9.54 1.65 Allowed 'General case' 0 C--N 1.34 0.187 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -76.55 -46.06 27.97 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 127.543 2.337 . . . . 0.0 107.609 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.8 mtp -66.26 -31.25 71.95 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.453 1.101 . . . . 0.0 110.546 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.417 0.687 . . . . 0.0 110.806 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.4 -58.43 8.65 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.572 0.749 . . . . 0.0 109.499 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -86.69 60.97 6.54 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -48.69 -39.37 24.31 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.392 1.477 . . . . 0.0 113.61 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.37 -29.88 7.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.058 1.313 . . . . 0.0 114.437 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 p -67.89 -36.58 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 118.45 1.125 . . . . 0.0 111.386 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.65 46.24 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 123.91 0.767 . . . . 0.0 111.857 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.83 175.39 38.18 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.04 -60.07 0.58 Allowed 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 124.266 3.31 . . . . 0.0 111.917 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.99 -48.75 51.26 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.974 175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -89.61 61.98 5.7 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 123.155 1.455 . . . . 0.0 110.572 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.14 -51.91 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 130.184 3.393 . . . . 0.0 103.057 174.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.79 84.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.262 1.425 . . . . 0.0 107.647 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -74.42 -38.97 62.9 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 117.966 0.348 . . . . 0.0 110.145 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.81 -42.95 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.662 0.785 . . . . 0.0 108.992 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.71 -55.05 37.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.29 -39.69 46.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.623 0.769 . . . . 0.0 112.062 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.11 -46.64 86.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.223 1.009 . . . . 0.0 109.93 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.41 73.21 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.114 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -79.53 6.39 10.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.713 1.205 . . . . 0.0 111.807 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -109.13 -35.67 6.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -82.15 -45.98 14.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.065 1.746 . . . . 0.0 112.202 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.81 -49.55 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.288 12.2 m -56.52 -33.56 66.17 Favored 'General case' 0 N--CA 1.42 -1.946 0 C-N-CA 128.873 2.869 . . . . 0.0 111.676 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -71.14 -41.66 70.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 118.382 0.537 . . . . 0.0 109.801 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.54 -37.88 82.64 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -26.87 61.76 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.17 0.188 . . . . 0.0 110.847 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -31.45 71.36 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.69 -30.11 49.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.5 -43.57 59.8 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.127 0.971 . . . . 0.0 110.974 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -37.47 86.41 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -61.5 -41.62 97.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 127.625 2.37 . . . . 0.0 108.322 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -76.53 72.7 3.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 123.779 1.752 . . . . 0.0 108.188 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.23 -45.69 0.49 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.142 1.829 . . . . 0.0 109.202 -174.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -49.63 -54.07 20.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.407 1.083 . . . . 0.0 110.577 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.3 113.18 9.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 122.353 1.073 . . . . 0.0 111.062 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -62.62 0.14 Allowed 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 127.813 2.445 . . . . 0.0 106.961 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -112.99 -11.08 13.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.459 2.304 . . . . 0.0 111.264 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -51.77 159.66 0.78 Allowed 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 50.79 66.43 1.17 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.738 -174.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -91.02 51.99 2.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.882 1.673 . . . . 0.0 108.219 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mt 67.67 70.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 127.141 2.177 . . . . 0.0 108.593 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.088 0 C-N-CA 124.972 1.309 . . . . 0.0 107.921 177.17 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.213 0.054 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.8 pm0 -58.81 152.95 18.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.794 1.237 . . . . 0.0 110.826 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -71.48 10.15 0.68 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -174.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 mmt -91.07 -55.44 3.54 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 128.05 2.54 . . . . 0.0 108.577 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.36 74.93 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 127.745 2.418 . . . . 0.0 110.956 174.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.6 m -65.25 -40.09 93.51 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.978 0.911 . . . . 0.0 109.993 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.23 -60.06 2.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.683 0.393 . . . . 0.0 109.987 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 p -88.24 53.89 2.89 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.587 0.755 . . . . 0.0 111.384 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.28 171.02 13.81 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.723 1.209 . . . . 0.0 109.52 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.32 -92.48 0.21 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.309 7.4 p 37.65 42.31 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 128.259 2.624 . . . . 0.0 110.405 -174.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.69 -57.38 0.5 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 112.146 -2.297 . . . . 0.0 109.176 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.31 135.63 2.19 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -80.22 -53.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.925 3.083 . . . . 0.0 112.45 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.6 -47.2 30.01 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.287 1.899 . . . . 0.0 112.362 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -75.85 -29.55 58.61 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.08 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -66.51 -28.13 68.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.311 0.959 . . . . 0.0 109.448 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.57 73.53 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -69.67 -41.83 74.95 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 118.271 0.487 . . . . 0.0 111.064 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -37.66 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.801 1.241 . . . . 0.0 109.342 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.8 -53.09 44.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.95 -37.88 47.18 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.34 0.656 . . . . 0.0 112.202 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.8 -49.42 75.03 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.737 0.815 . . . . 0.0 110.002 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.0 79.53 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.685 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.0 mmt -80.5 1.02 31.12 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.407 1.083 . . . . 0.0 111.876 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.1 p -115.63 -7.62 12.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.292 1.037 . . . . 0.0 109.147 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -101.18 -48.04 4.53 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.174 1.789 . . . . 0.0 112.234 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.6 t -68.69 -51.36 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 C-N-CA 125.158 1.383 . . . . 0.0 107.413 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.264 5.5 m -56.94 -29.4 63.1 Favored 'General case' 0 N--CA 1.42 -1.947 0 C-N-CA 128.009 2.524 . . . . 0.0 111.874 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -42.63 48.5 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.271 0.628 . . . . 0.0 110.269 174.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 t -58.76 -36.04 73.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -32.0 72.95 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 120.573 -1.33 . . . . 0.0 107.43 173.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 mt -66.26 -38.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.017 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.4 ptp -74.73 -30.3 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.833 1.197 . . . . 0.0 111.179 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -38.14 69.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.42 0.554 . . . . 0.0 109.963 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -64.45 -40.16 95.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.118 2.567 . . . . 0.0 109.499 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -78.62 49.56 0.89 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.235 2.214 . . . . 0.0 110.363 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.86 -58.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 127.795 2.617 . . . . 0.0 107.641 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.46 60.28 2.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.673 1.589 . . . . 0.0 109.187 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -175.42 -52.75 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.73 2.012 . . . . 0.0 107.357 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -58.6 -55.37 35.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.004 1.722 . . . . 0.0 110.552 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -65.42 -46.9 78.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.396 1.078 . . . . 0.0 109.731 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.04 -40.9 86.5 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.049 1.74 . . . . 0.0 112.937 -176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 77.69 48.79 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.532 2.333 . . . . 0.0 106.813 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -95.63 48.64 1.15 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.122 1.769 . . . . 0.0 109.535 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.7 -35.67 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.423 1.489 . . . . 0.0 111.109 175.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.605 1.562 . . . . 0.0 108.728 174.431 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.897 -0.038 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 4' ' ' MET . 50.4 mt-10 -78.57 68.1 4.48 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.139 0.976 . . . . 0.0 109.55 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -72.64 9.45 1.09 Allowed 'General case' 0 C--N 1.34 0.186 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.402 ' H ' ' C ' ' A' ' 2' ' ' GLU . 2.3 mpt? -81.13 -41.43 22.48 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 129.083 2.953 . . . . 0.0 108.009 174.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -68.41 -37.5 80.39 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.25 1.42 . . . . 0.0 109.681 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -68.48 -43.01 77.85 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.419 1.088 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.09 -63.37 1.12 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.336 0.654 . . . . 0.0 110.185 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.0 t -89.05 62.76 6.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 109.408 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -83.5 63.78 7.53 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.95 43.12 97.02 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.0 p -77.61 -33.91 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.562 0.745 . . . . 0.0 111.555 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.62 42.2 0.6 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.74 -175.15 47.58 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.74 -59.11 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.56 2.84 . . . . 0.0 110.864 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.34 -39.81 21.82 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.123 1.344 . . . . 0.0 112.211 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -75.52 -33.97 60.77 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.886 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -62.79 -29.85 71.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.849 1.204 . . . . 0.0 109.17 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -39.95 69.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.94 -43.35 79.29 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.482 0.583 . . . . 0.0 111.143 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -38.38 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.613 1.565 . . . . 0.0 109.589 -174.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 tp -66.82 -54.25 24.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.85 -39.13 52.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.9 -43.68 87.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.213 1.005 . . . . 0.0 110.385 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.56 75.64 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.696 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.4 mmt -76.56 1.99 15.19 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.905 1.682 . . . . 0.0 111.226 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 t -107.07 -23.75 12.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.138 1.375 . . . . 0.0 107.92 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -95.34 -41.88 8.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.935 1.694 . . . . 0.0 112.878 -176.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.4 -44.8 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 124.938 1.295 . . . . 0.0 108.294 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.321 32.5 p -58.81 -35.51 72.98 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 127.153 2.181 . . . . 0.0 110.025 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.33 -41.65 66.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.681 0.792 . . . . 0.0 110.137 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -61.72 -29.96 70.45 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.37 -30.49 27.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.79 1.236 . . . . 0.0 111.155 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -34.75 78.02 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.96 -35.25 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.358 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.23 -42.03 80.37 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.139 0.881 . . . . 0.0 110.861 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 mmt -60.83 -51.07 70.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.376 3.07 . . . . 0.0 113.052 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -60.16 124.05 19.05 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 122.03 0.919 . . . . 0.0 109.363 -174.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.25 -33.9 5.48 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.06 -1.882 . . . . 0.0 112.165 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.79 54.75 10.65 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.237 1.519 . . . . 0.0 109.963 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -157.23 -52.89 0.07 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 126.919 2.088 . . . . 0.0 106.067 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -64.28 -39.05 93.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.295 1.438 . . . . 0.0 108.224 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.61 -53.1 56.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.086 1.754 . . . . 0.0 109.663 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.14 -43.8 78.59 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.975 1.71 . . . . 0.0 110.33 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 81.0 87.6 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.411 2.685 . . . . 0.0 110.189 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -90.06 50.78 1.92 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.621 1.568 . . . . 0.0 107.836 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm 64.2 77.55 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.085 2.154 . . . . 0.0 109.42 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.251 1.165 0 CA-C-O 116.794 -1.574 . . . . 0.0 108.107 177.765 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -79.34 76.1 5.91 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.45 13.21 0.26 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -174.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 ttp -66.45 -44.33 83.07 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 126.549 1.94 . . . . 0.0 108.841 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -65.41 -34.36 78.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.049 1.34 . . . . 0.0 111.309 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 m -72.14 -40.92 67.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.106 0.962 . . . . 0.0 110.053 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.34 -56.03 14.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.612 0.765 . . . . 0.0 109.884 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 t -84.98 60.64 6.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.587 1.155 . . . . 0.0 109.485 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -108.74 -60.63 1.72 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.174 1.39 . . . . 0.0 108.773 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.05 -59.29 6.0 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.319 9.2 p 44.44 45.67 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 127.706 2.402 . . . . 0.0 110.721 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.7 91.53 0.56 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 107.199 -2.36 . . . . 0.0 107.199 -174.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 160.29 28.79 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.194 0.426 . . . . 0.0 112.121 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.97 -52.43 5.13 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 124.842 3.694 . . . . 0.0 112.119 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.83 -44.0 23.81 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.348 1.452 . . . . 0.0 112.552 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -79.68 -33.13 41.38 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.444 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -61.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 118.941 0.791 . . . . 0.0 110.209 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.6 -40.44 66.54 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 174.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -68.21 -44.45 75.75 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 111.271 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -37.78 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.217 1.807 . . . . 0.0 109.382 -174.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.34 -51.34 53.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.11 60.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.225 0.92 . . . . 0.0 111.765 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.59 -49.08 76.64 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.099 0.96 . . . . 0.0 110.038 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.36 71.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.194 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.5 mmm -61.83 -56.13 22.67 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -47.8 -41.78 24.4 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 124.2 0.938 . . . . 0.0 112.124 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -71.13 -45.32 63.83 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 111.571 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.41 -48.48 77.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 C-N-CA 125.135 1.374 . . . . 0.0 108.006 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.276 99.8 m -58.14 -35.72 71.93 Favored 'General case' 0 N--CA 1.423 -1.799 0 C-N-CA 128.389 2.676 . . . . 0.0 111.143 174.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -45.2 67.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.164 0.586 . . . . 0.0 110.166 174.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.19 -27.81 67.44 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.463 0.705 . . . . 0.0 110.141 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.18 -27.72 22.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.977 0.911 . . . . 0.0 111.144 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.22 75.48 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 174.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.81 -41.38 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.33 -41.56 93.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -41.27 90.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -69.42 -30.86 68.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 127.842 2.457 . . . . 0.0 111.769 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -79.04 47.07 0.75 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.178 1.791 . . . . 0.0 111.155 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.5 -58.49 0.11 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 128.513 2.959 . . . . 0.0 107.546 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -77.5 70.11 3.84 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 124.229 1.012 . . . . 0.0 109.217 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -172.74 -55.23 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 127.126 2.17 . . . . 0.0 106.319 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.39 -46.17 87.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.886 1.274 . . . . 0.0 109.122 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.4 -41.75 88.85 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.882 1.273 . . . . 0.0 110.567 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.9 172.2 1.03 Allowed 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.338 1.455 . . . . 0.0 113.601 -174.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 59.31 71.14 0.6 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.487 1.515 . . . . 0.0 110.06 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -88.91 53.41 2.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.41 1.884 . . . . 0.0 107.92 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm 71.74 60.63 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 127.586 2.354 . . . . 0.0 108.293 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.25 1.096 0 C-N-CA 125.841 1.656 . . . . 0.0 107.529 177.35 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.86 101.59 1.77 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.481 0.712 . . . . 0.0 109.213 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.71 160.83 1.24 Allowed 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.359 2.028 . . . . 0.0 114.785 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.3 ttt 174.09 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 1 CA-C-N 107.945 -4.207 . . . . 0.0 107.948 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -62.07 -36.86 82.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.764 1.226 . . . . 0.0 110.052 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 m -71.01 -38.68 72.65 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.149 0.579 . . . . 0.0 110.531 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.36 92.89 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.299 0.64 . . . . 0.0 110.204 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.0 m -81.61 57.45 3.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.939 1.296 . . . . 0.0 108.71 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.37 -47.52 81.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.506 1.122 . . . . 0.0 111.807 -174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.09 51.45 0.77 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.329 8.7 p 44.96 42.86 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 127.825 2.45 . . . . 0.0 111.013 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.71 49.73 0.14 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 112.307 -2.224 . . . . 0.0 109.697 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.17 -176.7 19.26 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.847 1.213 . . . . 0.0 112.738 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -51.7 -48.58 20.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 124.945 3.764 . . . . 0.0 112.419 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.37 17.49 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.676 1.131 . . . . 0.0 112.211 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -79.56 -30.93 41.85 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 117.636 0.718 . . . . 0.0 111.837 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -61.39 -34.38 75.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.809 0.731 . . . . 0.0 109.268 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -36.45 65.36 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.183 1.393 . . . . 0.0 110.386 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -70.16 -37.43 75.2 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.544 0.611 . . . . 0.0 111.05 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.13 -43.46 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.978 1.311 . . . . 0.0 109.464 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.11 -53.09 61.9 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.637 -0.696 . . . . 0.0 109.425 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.15 51.87 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.066 0.946 . . . . 0.0 112.052 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.59 -47.06 83.0 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.689 0.796 . . . . 0.0 110.018 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.43 76.12 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.071 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 mmt -77.78 3.6 13.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.814 1.246 . . . . 0.0 111.667 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -104.35 -38.55 6.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 173.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -79.09 -47.47 16.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.713 2.005 . . . . 0.0 112.425 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.04 -49.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.281 9.1 m -55.07 -36.8 66.0 Favored 'General case' 0 N--CA 1.42 -1.928 0 C-N-CA 128.939 2.896 . . . . 0.0 111.515 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -45.55 67.3 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 122.926 0.49 . . . . 0.0 110.059 174.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 t -58.95 -32.05 69.26 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 123.162 0.585 . . . . 0.0 109.719 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.27 34.2 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.561 0.745 . . . . 0.0 111.106 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -31.46 72.06 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.9 mm -62.38 -33.42 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.2 mmm -70.89 -48.02 56.04 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.383 1.073 . . . . 0.0 110.469 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.52 76.13 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.914 0.486 . . . . 0.0 109.832 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -71.47 -40.08 70.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.588 2.355 . . . . 0.0 110.183 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 111.66 1.26 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 109.059 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.72 -26.72 4.57 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.728 -1.04 . . . . 0.0 112.985 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 t30 68.62 -15.26 0.24 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.693 1.597 . . . . 0.0 114.313 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -143.15 -43.25 0.29 Allowed 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 125.86 1.664 . . . . 0.0 109.865 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -52.27 -63.06 1.26 Allowed 'General case' 0 C--N 1.34 0.189 0 C-N-CA 126.691 1.996 . . . . 0.0 111.696 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -67.38 -38.91 85.49 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.23 1.012 . . . . 0.0 110.285 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -57.12 -37.68 72.35 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.281 1.433 . . . . 0.0 111.707 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 69.43 52.34 0.46 Allowed 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.916 2.086 . . . . 0.0 108.395 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -105.66 -129.23 0.27 Allowed 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 105.141 -2.17 . . . . 0.0 105.141 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.1 pt -154.37 157.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 C-N-CA 130.857 3.663 . . . . 0.0 107.671 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.799 -1.572 . . . . 0.0 111.043 177.181 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.97 -176.62 0.29 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.383 1.473 . . . . 0.0 112.215 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -52.7 -178.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 129.258 3.023 . . . . 0.0 114.718 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.7 mmt 70.42 -16.25 0.32 Allowed 'General case' 0 N--CA 1.428 -1.553 0 C-N-CA 130.853 3.661 . . . . 0.0 112.946 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -68.56 -31.12 70.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.608 1.163 . . . . 0.0 109.97 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -64.47 -38.22 90.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.497 1.119 . . . . 0.0 109.956 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.68 -54.27 7.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.79 0.836 . . . . 0.0 110.04 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.8 m -84.84 58.82 5.2 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.999 1.32 . . . . 0.0 109.343 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -82.8 71.78 9.89 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.564 1.146 . . . . 0.0 109.455 -174.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.19 43.08 95.97 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -73.87 -34.03 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.661 0.784 . . . . 0.0 111.444 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.22 91.63 0.74 Allowed Glycine 0 C--N 1.339 0.73 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.12 163.53 20.78 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.483 0.563 . . . . 0.0 111.945 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.51 -51.3 10.8 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 125.028 3.819 . . . . 0.0 112.42 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.45 -40.31 15.89 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.125 1.345 . . . . 0.0 113.059 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -85.21 -33.34 22.27 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 117.954 0.877 . . . . 0.0 111.754 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -59.51 -27.71 66.41 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.128 0.876 . . . . 0.0 109.83 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.21 65.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.264 1.025 . . . . 0.0 108.925 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -69.05 -40.43 78.55 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 117.911 0.323 . . . . 0.0 111.315 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -38.31 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 125.769 1.627 . . . . 0.0 108.901 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.28 -58.25 7.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.63 15.37 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 124.135 0.974 . . . . 0.0 111.971 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.775 0.83 . . . . 0.0 111.047 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -39.0 60.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.589 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -72.27 -36.3 68.96 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.424 1.011 . . . . 0.0 109.065 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.6 p -64.45 -31.03 72.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.182 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -80.69 -39.92 26.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.098 0.959 . . . . 0.0 112.565 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.87 -48.61 62.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 C-N-CA 125.013 1.325 . . . . 0.0 108.075 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -35.77 78.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 174.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -65.42 -39.77 92.54 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 t -61.84 -34.95 76.89 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.38 -27.5 41.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.405 0.682 . . . . 0.0 111.595 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -33.27 75.37 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mt -61.46 -38.05 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.0 mmm -65.14 -44.11 89.68 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 118.85 0.75 . . . . 0.0 109.765 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -66.6 -36.17 81.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.391 0.432 . . . . 0.0 109.867 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' C ' ' H ' ' A' ' 39' ' ' GLY . 15.8 tt0 -72.03 -32.38 67.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 127.648 2.379 . . . . 0.0 111.226 178.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.13 44.1 0.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.275 1.83 . . . . 0.0 111.186 175.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 37' ' ' GLN . . . -168.06 -54.76 0.03 OUTLIER Glycine 0 CA--C 1.523 0.583 0 C-N-CA 128.458 2.932 . . . . 0.0 107.622 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -79.29 63.53 3.94 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.032 1.333 . . . . 0.0 108.195 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.3 -57.08 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 128.631 2.773 . . . . 0.0 106.387 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttp-105 -57.99 -43.83 86.8 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.302 1.441 . . . . 0.0 110.271 174.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -64.73 -52.46 56.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.45 1.1 . . . . 0.0 109.648 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.54 -43.78 80.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.191 1.796 . . . . 0.0 112.754 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 61.69 53.42 3.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 127.486 2.314 . . . . 0.0 108.773 -174.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -120.42 -128.91 0.28 Allowed 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 127.02 2.128 . . . . 0.0 105.991 -174.594 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 pt -128.58 171.12 17.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 C-N-CA 129.382 3.073 . . . . 0.0 109.625 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.087 177.249 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.871 -0.048 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.37 68.8 4.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.167 0.987 . . . . 0.0 109.615 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.75 8.56 1.44 Allowed 'General case' 0 C--N 1.341 0.206 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.5 ttm -80.35 -41.35 24.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 127.695 2.398 . . . . 0.0 107.571 174.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 92.3 mtp -66.44 -38.42 87.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.949 1.3 . . . . 0.0 109.636 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -70.11 -39.66 75.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 110.574 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.28 -62.76 1.41 Allowed 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.072 0.549 . . . . 0.0 110.135 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 t -90.24 62.3 5.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.497 1.119 . . . . 0.0 109.169 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -84.77 64.56 8.64 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.992 0.917 . . . . 0.0 109.097 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.4 53.65 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.76 -36.17 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.706 0.802 . . . . 0.0 111.357 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.23 -49.06 0.4 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.47 -169.74 54.87 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.89 -50.01 10.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 124.667 3.578 . . . . 0.0 111.655 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.78 -58.06 13.85 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.321 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -92.42 68.63 4.94 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 123.426 1.584 . . . . 0.0 109.745 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -158.81 -49.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 131.344 3.857 . . . . 0.0 103.373 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.41 82.21 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.666 1.587 . . . . 0.0 107.655 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.71 -43.25 69.34 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 121.153 0.501 . . . . 0.0 110.427 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.85 -41.64 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.279 1.032 . . . . 0.0 109.216 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.5 -53.64 51.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.71 51.03 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.844 0.747 . . . . 0.0 111.803 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.06 -47.29 80.72 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.481 1.113 . . . . 0.0 110.428 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.73 77.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.889 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.6 mmm -77.1 -2.73 35.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.619 1.167 . . . . 0.0 111.531 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.2 m -103.38 -19.18 14.53 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -96.98 -49.26 5.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.812 1.645 . . . . 0.0 112.715 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.85 -49.36 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 125.621 1.568 . . . . 0.0 107.831 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 14.1 m -55.97 -33.16 64.54 Favored 'General case' 0 N--CA 1.42 -1.93 0 C-N-CA 127.959 2.504 . . . . 0.0 111.451 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -43.05 59.76 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.778 0.831 . . . . 0.0 110.605 174.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -59.24 -34.47 72.24 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.01 -28.83 39.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.831 0.852 . . . . 0.0 111.739 174.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -33.41 75.9 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.88 -36.05 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 117.931 -1.033 . . . . 0.0 108.276 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.01 -43.32 88.03 Favored 'General case' 0 C--N 1.337 0.033 0 CA-C-N 119.441 1.019 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -32.12 73.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.207 0.603 . . . . 0.0 110.383 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.33 -30.63 27.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.788 2.435 . . . . 0.0 111.949 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.25 122.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -176.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.34 -34.08 5.21 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 113.389 -1.732 . . . . 0.0 110.476 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -74.81 -51.16 14.79 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.7 1.25 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -47.37 -49.12 25.28 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.672 1.189 . . . . 0.0 112.51 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -49.61 -53.63 22.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.876 2.47 . . . . 0.0 111.276 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.09 -40.82 78.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.642 1.177 . . . . 0.0 111.592 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.72 175.1 0.13 Allowed 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.916 2.086 . . . . 0.0 114.273 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 65.6 70.07 0.45 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.67 1.588 . . . . 0.0 108.915 -174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.329 2.3 mmmp? -80.56 -121.66 0.02 OUTLIER 'General case' 0 N--CA 1.402 -2.852 0 C-N-CA 130.358 3.463 . . . . 0.0 107.66 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.5 mm -75.53 76.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 127.267 2.227 . . . . 0.0 107.98 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.196 -1.383 . . . . 0.0 108.777 177.398 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 119.814 -0.136 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.53 66.09 4.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -98.74 11.7 37.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.6 mmm -72.62 -35.24 67.79 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 127.12 2.168 . . . . 0.0 109.967 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.0 ttp -68.56 -43.96 75.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 C-N-CA 129.371 3.069 . . . . 0.0 108.36 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.0 m -66.55 -40.34 88.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.429 1.092 . . . . 0.0 110.016 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.19 -65.18 0.71 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.696 0.798 . . . . 0.0 110.168 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.8 59.35 5.34 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.463 1.105 . . . . 0.0 109.623 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -79.64 -51.01 9.8 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.082 0.953 . . . . 0.0 110.157 -178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.42 46.23 0.72 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.64 -37.5 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.64 0.776 . . . . 0.0 111.134 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.49 3.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.503 1.049 . . . . 0.0 111.114 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.89 -177.79 48.16 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.862 0.744 . . . . 0.0 111.781 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.63 -56.1 1.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 124.239 3.293 . . . . 0.0 111.89 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.44 -42.29 13.36 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.354 1.454 . . . . 0.0 112.336 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -79.29 -33.73 43.07 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 117.732 -1.127 . . . . 0.0 112.016 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.29 -29.33 69.8 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 120.157 1.344 . . . . 0.0 109.416 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.23 70.06 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -68.7 -41.8 78.65 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.4 0.545 . . . . 0.0 111.28 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -37.3 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.643 1.577 . . . . 0.0 109.229 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.89 -56.82 9.83 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.22 -41.32 18.1 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.486 1.115 . . . . 0.0 112.036 -177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.4 -43.23 98.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.51 1.124 . . . . 0.0 111.078 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.04 55.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.122 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -84.63 13.48 5.62 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 119.141 0.882 . . . . 0.0 111.922 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 p -118.39 -32.33 4.67 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.755 1.622 . . . . 0.0 106.65 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -79.72 -49.26 12.34 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.79 1.636 . . . . 0.0 111.961 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.47 -48.46 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -54.99 -37.03 66.03 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 129.078 2.951 . . . . 0.0 111.742 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.93 -46.23 65.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.077 0.465 . . . . 0.0 109.932 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 t -58.56 -30.39 67.12 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.334 0.654 . . . . 0.0 109.901 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.75 -28.63 28.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.556 0.743 . . . . 0.0 111.062 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.63 76.94 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.092 0.86 . . . . 0.0 108.732 174.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.08 -37.87 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.265 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.2 mmm -68.04 -41.64 81.75 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.867 0.867 . . . . 0.0 110.8 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -60.71 -48.97 79.4 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.751 0.82 . . . . 0.0 108.894 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 39' ' ' GLY . 12.1 tt0 -58.64 -35.3 72.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.771 2.428 . . . . 0.0 111.212 174.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -81.56 46.0 0.93 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.079 2.152 . . . . 0.0 110.603 174.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 37' ' ' GLN . . . 153.17 44.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 C-N-CA 128.265 2.841 . . . . 0.0 109.916 176.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -55.27 -49.61 71.62 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 123.615 0.766 . . . . 0.0 111.565 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -55.1 -47.75 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.417 1.087 . . . . 0.0 111.554 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -64.28 -47.2 80.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.578 1.151 . . . . 0.0 111.921 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -62.63 -43.05 99.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.268 1.427 . . . . 0.0 110.69 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -53.64 163.79 0.62 Allowed 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 56.82 51.69 10.47 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.72 1.608 . . . . 0.0 110.014 -174.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -96.87 53.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.345 1.858 . . . . 0.0 107.607 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm 71.93 60.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.022 2.129 . . . . 0.0 106.902 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.7 t . . . . . 0 C--O 1.249 1.064 0 C-N-CA 126.172 1.789 . . . . 0.0 106.765 -178.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -117.57 166.39 12.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.742 1.617 . . . . 0.0 108.576 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.23 168.34 0.53 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 125.459 2.552 . . . . 0.0 116.156 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ttt -167.54 31.22 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.609 1 CA-C-N 106.882 -4.69 . . . . 0.0 107.434 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.4 mtm 38.24 38.32 0.21 Allowed 'General case' 0 N--CA 1.434 -1.274 0 C-N-CA 130.207 3.403 . . . . 0.0 107.619 -171.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.5 m -174.38 -48.29 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 111.436 -2.62 . . . . 0.0 106.464 -173.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 -29.17 70.25 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.887 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.3 m -146.21 55.35 1.16 Allowed 'General case' 0 C--N 1.342 0.269 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.97 106.74 1.66 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.817 1.247 . . . . 0.0 110.772 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.27 37.02 93.95 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.332 -0.704 . . . . 0.0 112.792 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.58 -40.1 87.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 117.975 0.887 . . . . 0.0 109.888 174.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.01 -51.05 5.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.27 -168.46 31.43 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.189 0.899 . . . . 0.0 110.929 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -59.08 -49.9 10.04 Favored 'Trans proline' 0 C--N 1.345 0.381 1 C-N-CA 125.756 4.304 . . . . 0.0 110.534 174.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.39 -44.35 28.04 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.781 174.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -32.51 56.91 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.468 0.707 . . . . 0.0 111.528 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -33.1 73.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.576 0.626 . . . . 0.0 109.445 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.1 63.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.466 1.106 . . . . 0.0 110.242 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -67.14 -43.24 82.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 118.681 0.673 . . . . 0.0 110.408 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.37 -42.64 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.756 1.222 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.24 -54.18 49.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.247 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.51 -41.19 60.82 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.825 0.739 . . . . 0.0 111.74 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -62.07 -47.76 83.22 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.975 0.91 . . . . 0.0 110.062 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -37.15 72.51 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.253 -176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.54 -47.36 84.26 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -57.22 -38.92 74.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.58 0.55 . . . . 0.0 111.242 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -77.59 -38.21 48.78 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.546 0.738 . . . . 0.0 112.41 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.04 -49.38 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 125.531 1.532 . . . . 0.0 108.065 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -33.44 75.33 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.022 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -66.78 -40.28 88.12 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 t -60.52 -35.08 75.12 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.59 39.4 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -35.32 78.1 Favored 'General case' 0 C--O 1.227 -0.128 0 O-C-N 120.642 -1.286 . . . . 0.0 107.719 174.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.63 -37.25 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-O 117.259 -1.353 . . . . 0.0 110.234 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -73.85 -29.4 62.09 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.362 1.437 . . . . 0.0 111.68 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -68.33 -55.17 12.99 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.93 -44.82 20.19 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.635 2.374 . . . . 0.0 110.284 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -70.25 82.02 0.53 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.175 1.39 . . . . 0.0 107.309 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.48 -62.03 0.6 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 126.633 2.064 . . . . 0.0 109.847 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -85.15 24.61 1.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -168.84 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.451 1.1 . . . . 0.0 108.605 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -52.16 -51.23 59.3 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.144 1.778 . . . . 0.0 110.92 -175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -78.45 -50.36 11.8 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.76 1.224 . . . . 0.0 110.828 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.65 -71.39 0.08 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.347 1.859 . . . . 0.0 113.527 -174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 48.0 51.74 14.08 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.427 1.091 . . . . 0.0 111.293 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -93.91 51.84 1.58 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.983 2.113 . . . . 0.0 106.859 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mt 62.93 60.28 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.472 1.909 . . . . 0.0 107.748 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.326 -1.321 . . . . 0.0 109.018 -177.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.365 0.602 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -82.27 69.76 9.07 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 108.883 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.64 13.23 0.83 Allowed 'General case' 0 C--N 1.34 0.167 0 N-CA-C 117.19 2.293 . . . . 0.0 117.19 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -63.57 -38.95 93.06 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.898 2.079 . . . . 0.0 110.292 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.7 mtt -67.51 -30.03 69.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.406 1.082 . . . . 0.0 111.014 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -73.03 -43.28 62.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.425 0.69 . . . . 0.0 109.445 174.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -69.35 0.3 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.372 1.069 . . . . 0.0 111.703 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.55 59.59 2.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.74 0.816 . . . . 0.0 109.902 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -81.86 70.15 8.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.686 0.794 . . . . 0.0 110.405 -176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.45 -60.39 6.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 109.869 -1.293 . . . . 0.0 109.869 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.324 8.8 p 46.88 43.06 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.937 2.495 . . . . 0.0 111.46 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.79 34.42 4.78 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.613 -2.085 . . . . 0.0 111.564 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 160.88 48.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.66 -75.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.487 2.791 . . . . 0.0 108.641 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 -33.85 1.12 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 127.334 2.397 . . . . 0.0 113.68 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -125.03 -36.3 2.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.605 1.962 . . . . 0.0 108.792 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -61.44 -29.3 69.86 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.69 91.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.32 1.848 . . . . 0.0 109.519 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -71.62 -36.76 70.87 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.811 0.445 . . . . 0.0 111.37 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.69 -44.28 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.097 0.959 . . . . 0.0 109.31 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.15 44.44 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 111.799 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.69 -47.02 85.46 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.906 0.883 . . . . 0.0 110.295 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.58 80.12 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.567 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 mmt -79.04 1.36 24.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.813 1.245 . . . . 0.0 111.741 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -111.19 -12.98 14.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.082 1.353 . . . . 0.0 108.702 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -101.79 -47.59 4.56 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 126.04 1.736 . . . . 0.0 112.244 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.26 -51.79 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 C-N-CA 125.423 1.489 . . . . 0.0 107.186 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -54.43 -34.32 61.16 Favored 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 128.302 2.641 . . . . 0.0 111.51 174.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -44.64 62.62 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.221 0.608 . . . . 0.0 110.281 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 t -59.85 -28.86 67.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.992 0.517 . . . . 0.0 110.014 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 -28.98 25.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.715 0.806 . . . . 0.0 110.873 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.84 75.66 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 119.132 0.878 . . . . 0.0 108.672 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.8 -34.26 58.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.137 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -72.99 -40.85 64.88 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.365 1.066 . . . . 0.0 111.359 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.5 mmm -61.74 -49.64 75.63 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 39' ' ' GLY . 16.8 tt0 -53.98 -42.21 68.71 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.924 2.09 . . . . 0.0 108.738 174.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.05 46.54 0.81 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.3 2.24 . . . . 0.0 111.111 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 37' ' ' GLN . . . -137.55 -61.24 0.05 OUTLIER Glycine 0 CA--C 1.526 0.771 0 C-N-CA 130.049 3.69 . . . . 0.0 105.283 174.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -84.72 61.73 6.93 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -176.29 -51.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 127.507 2.323 . . . . 0.0 106.62 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.64 -45.35 89.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.232 1.813 . . . . 0.0 109.59 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.67 -48.5 69.14 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.934 1.294 . . . . 0.0 110.265 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -57.07 -51.98 67.1 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.677 1.591 . . . . 0.0 112.841 -174.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 59.9 54.63 4.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.736 1.614 . . . . 0.0 109.417 -174.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -112.85 -123.04 0.28 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.777 2.031 . . . . 0.0 106.129 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -58.56 149.23 5.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 C-N-CA 128.306 2.643 . . . . 0.0 109.452 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.098 1.359 . . . . 0.0 109.004 178.783 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.955 -0.069 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -85.81 169.11 13.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.89 166.55 1.91 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 123.91 1.814 . . . . 0.0 114.539 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ttt 70.82 -25.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 109.359 -3.564 . . . . 0.0 111.799 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.4 mtt -66.25 -31.17 71.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.96 1.304 . . . . 0.0 110.676 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -62.73 -38.48 90.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.313 1.045 . . . . 0.0 110.129 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.41 -58.01 3.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.975 0.91 . . . . 0.0 110.154 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.9 m -83.09 59.25 4.84 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 125.366 1.466 . . . . 0.0 109.157 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -83.7 72.43 10.34 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.536 -174.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.87 43.68 93.38 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.66 -45.71 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.397 0.679 . . . . 0.0 110.215 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.95 23.82 32.42 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.148 1.833 . . . . 0.0 115.25 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 -141.23 9.08 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.737 1.16 . . . . 0.0 114.228 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.84 -45.39 2.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.202 3.268 . . . . 0.0 111.621 -175.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.11 -46.92 20.84 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 125.682 1.611 . . . . 0.0 111.931 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -77.66 -30.49 52.13 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.892 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -37.88 83.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.03 70.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.924 1.29 . . . . 0.0 110.61 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -69.34 -39.64 78.02 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.463 0.574 . . . . 0.0 110.694 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.36 -43.16 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.877 0.871 . . . . 0.0 109.454 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.21 -53.05 62.67 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.519 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.75 61.05 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.114 0.87 . . . . 0.0 111.937 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.33 -47.25 82.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.875 0.87 . . . . 0.0 110.023 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.65 73.22 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.183 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 75.2 mmm -63.28 -55.54 23.89 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -51.64 -37.01 48.43 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.061 0.851 . . . . 0.0 112.055 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.27 -44.95 62.04 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.7 1.2 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.96 -48.85 73.21 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 125.204 1.402 . . . . 0.0 107.896 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 99.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.423 -1.801 0 C-N-CA 128.513 2.725 . . . . 0.0 110.925 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -45.27 71.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.241 0.473 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 t -59.38 -31.27 69.07 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.218 0.607 . . . . 0.0 109.758 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.47 -27.47 31.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.365 0.666 . . . . 0.0 111.122 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -31.93 73.22 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.15 -34.04 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.67 -43.01 66.77 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.624 1.17 . . . . 0.0 110.688 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -37.04 80.84 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -178.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.23 -35.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 128.29 2.636 . . . . 0.0 109.945 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 102.47 0.62 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.11 43.74 31.88 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.914 -1.275 . . . . 0.0 109.914 -174.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -32.0 -69.01 0.08 Allowed 'General case' 0 C--N 1.346 0.439 0 C-N-CA 127.132 2.173 . . . . 0.0 113.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -51.37 -44.38 62.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.68 1.192 . . . . 0.0 112.882 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -56.91 -44.25 82.19 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.351 1.06 . . . . 0.0 111.359 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -68.94 -45.15 71.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.42 1.088 . . . . 0.0 110.288 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -55.42 -53.45 56.11 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.734 1.214 . . . . 0.0 110.199 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -53.47 -56.53 16.16 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.793 1.637 . . . . 0.0 110.87 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -106.19 53.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.088 1.355 . . . . 0.0 109.701 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.2 tp -66.35 143.94 15.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.385 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.93 -1.509 . . . . 0.0 110.798 -179.069 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -77.18 59.53 1.76 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.571 1.548 . . . . 0.0 111.621 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -18.14 107.64 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.52 3.128 . . . . 0.0 116.944 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.24 -48.15 2.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.142 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -59.53 -38.23 80.47 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.97 1.308 . . . . 0.0 109.942 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 m -69.52 -37.39 77.13 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 123.402 0.439 . . . . 0.0 110.745 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.72 91.9 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.976 0.511 . . . . 0.0 110.812 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.89 56.86 0.73 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.375 1.07 . . . . 0.0 110.256 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 123.9 16.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 109.977 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.28 61.81 4.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -174.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -68.78 -34.26 63.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 111.077 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.08 -75.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.34 164.42 28.09 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.294 0.473 . . . . 0.0 111.992 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.85 -75.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.438 2.759 . . . . 0.0 108.173 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.97 -47.5 2.24 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 129.686 3.517 . . . . 0.0 113.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -115.05 -35.63 4.67 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 128.185 2.594 . . . . 0.0 107.412 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.97 -23.72 66.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.35 76.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.781 1.633 . . . . 0.0 108.802 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -67.85 -43.61 79.1 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 122.942 0.497 . . . . 0.0 111.098 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.52 -42.72 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 124.628 1.171 . . . . 0.0 108.951 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.0 -58.68 7.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.94 -38.18 16.08 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.501 1.12 . . . . 0.0 112.28 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.26 -46.16 81.63 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.903 0.881 . . . . 0.0 110.781 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.46 63.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.171 0.988 . . . . 0.0 112.452 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -84.24 13.22 5.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.92 0.782 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -115.04 -37.17 4.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 106.435 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -78.23 -49.05 14.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.105 1.762 . . . . 0.0 111.633 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.32 -47.85 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -55.44 -36.4 66.49 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 128.51 2.724 . . . . 0.0 111.62 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.13 -46.32 65.03 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.131 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.1 m -58.53 -31.89 68.36 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.522 0.729 . . . . 0.0 109.83 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.24 -27.36 35.26 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.191 0.596 . . . . 0.0 110.691 174.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -31.11 71.61 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.22 -33.83 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mmm -72.56 -45.38 59.51 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.883 1.273 . . . . 0.0 110.781 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -35.27 79.99 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -68.89 -39.8 79.53 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 126.897 2.079 . . . . 0.0 109.154 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 100.13 0.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 174.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.12 -60.55 0.66 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 107.111 -2.395 . . . . 0.0 107.111 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -81.46 59.12 3.92 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.841 1.256 . . . . 0.0 109.001 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -168.63 -52.9 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 126.089 1.756 . . . . 0.0 107.022 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.2 -47.4 79.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.118 1.367 . . . . 0.0 108.785 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.38 -45.95 92.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.854 1.262 . . . . 0.0 109.221 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -66.86 -178.09 0.7 Allowed 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.117 1.367 . . . . 0.0 111.153 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 51.18 50.83 18.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.402 1.081 . . . . 0.0 109.96 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.259 0.4 OUTLIER -102.62 -122.0 0.18 Allowed 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -175.269 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.1 mt -82.77 63.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.168 1.787 . . . . 0.0 107.263 -174.692 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.588 -0.152 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -79.57 66.55 5.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.804 1.241 . . . . 0.0 109.426 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.58 12.51 1.0 Allowed 'General case' 0 C--N 1.339 0.147 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -174.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.9 mtp -67.21 -52.12 44.95 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 127.541 2.337 . . . . 0.0 108.297 174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.43 -37.46 83.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.845 1.258 . . . . 0.0 110.371 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.5 m -66.23 -35.58 80.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.936 0.894 . . . . 0.0 110.488 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.83 -72.54 0.29 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.587 0.755 . . . . 0.0 110.796 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -90.6 65.87 6.09 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.641 1.176 . . . . 0.0 109.865 -176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -56.88 115.04 2.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 110.06 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.94 53.63 22.03 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.23 -38.15 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.282 0.633 . . . . 0.0 110.305 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.05 40.56 2.42 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 174.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.97 161.18 54.24 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.72 -75.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.551 2.834 . . . . 0.0 108.799 174.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.7 -44.76 2.79 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 127.792 2.615 . . . . 0.0 111.693 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -111.18 -36.54 5.58 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 125.645 1.578 . . . . 0.0 109.598 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -61.36 -26.06 67.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 108.57 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.44 74.42 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.216 1.406 . . . . 0.0 108.799 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -68.66 -44.76 73.43 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.277 0.631 . . . . 0.0 111.249 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -38.45 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.233 1.813 . . . . 0.0 109.309 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.01 -51.77 50.81 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -38.72 57.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.204 0.911 . . . . 0.0 111.927 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.03 -45.1 86.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.491 1.116 . . . . 0.0 110.656 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.94 68.98 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.13 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.0 mmm -63.03 -54.88 31.32 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -50.59 -37.88 42.49 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.791 0.682 . . . . 0.0 111.708 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -72.96 -43.28 62.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.03 1.332 . . . . 0.0 112.138 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.74 -50.42 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 C-N-CA 125.222 1.409 . . . . 0.0 107.688 -174.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 88.0 m -56.12 -36.56 68.35 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 128.267 2.627 . . . . 0.0 111.094 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -41.31 71.92 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.027 0.531 . . . . 0.0 110.63 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 t -61.35 -36.41 80.1 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.15 63.64 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.896 0.478 . . . . 0.0 110.423 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.05 74.91 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 118.769 0.713 . . . . 0.0 109.345 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 mt -64.41 -39.93 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 118.293 -0.861 . . . . 0.0 108.742 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.42 64.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.529 0.604 . . . . 0.0 111.197 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -71.14 -43.72 67.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.34 -38.0 79.25 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.239 2.215 . . . . 0.0 109.811 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.24 79.57 1.31 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.49 -63.74 0.5 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 127.164 2.316 . . . . 0.0 107.921 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -78.89 60.19 2.8 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.206 1.002 . . . . 0.0 110.346 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -171.65 -50.35 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.707 2.003 . . . . 0.0 107.292 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -51.54 46.61 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.785 1.234 . . . . 0.0 110.589 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.37 -47.74 78.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.264 1.026 . . . . 0.0 109.061 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.33 -44.93 65.4 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 126.072 1.749 . . . . 0.0 110.079 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 73.91 67.51 0.1 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 128.133 2.573 . . . . 0.0 108.799 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -90.21 53.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.984 1.714 . . . . 0.0 108.041 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mp 73.51 85.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 128.382 2.673 . . . . 0.0 109.009 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.003 1.721 . . . . 0.0 108.625 174.682 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.431 0.634 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -79.78 72.34 6.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.086 1.355 . . . . 0.0 108.999 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.12 12.26 0.58 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -174.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.4 tpp -105.56 -48.7 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 128.027 2.531 . . . . 0.0 108.983 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.91 -39.75 90.84 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.533 1.133 . . . . 0.0 110.22 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.7 m -65.91 -41.9 90.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.819 0.847 . . . . 0.0 109.929 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.28 -53.79 38.85 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.745 0.818 . . . . 0.0 110.547 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -82.61 60.91 5.46 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.979 1.311 . . . . 0.0 108.61 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -61.5 -45.91 92.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.793 1.237 . . . . 0.0 111.686 -174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.13 42.98 96.24 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.958 0.79 . . . . 0.0 111.217 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.53 -34.49 70.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.796 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.93 99.7 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.41 -163.0 36.12 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.639 0.638 . . . . 0.0 112.691 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.99 -47.31 28.26 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 125.296 3.997 . . . . 0.0 111.333 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.24 48.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.757 -1.565 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -82.47 -30.04 30.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.201 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -61.66 -26.33 67.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.282 0.946 . . . . 0.0 110.172 174.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -42.72 66.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -69.46 -39.59 77.66 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.261 0.224 . . . . 0.0 111.365 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.61 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.413 1.485 . . . . 0.0 109.64 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.04 -54.58 20.27 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -40.05 40.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.63 0.772 . . . . 0.0 111.926 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -62.53 -46.03 90.26 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.269 1.028 . . . . 0.0 110.515 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.62 71.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.959 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.91 1.87 25.56 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.194 1.398 . . . . 0.0 111.382 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -109.24 -18.58 13.57 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.784 1.634 . . . . 0.0 107.993 173.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -97.93 -44.49 6.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.903 1.681 . . . . 0.0 112.261 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.2 -46.54 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -57.71 -38.99 76.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.65 1.18 . . . . 0.0 111.765 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.12 -41.17 90.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.297 0.639 . . . . 0.0 110.31 175.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.87 -29.55 70.27 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.85 -29.28 27.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.009 0.924 . . . . 0.0 111.34 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.22 77.35 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -60.56 -37.74 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.238 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.12 -43.23 87.75 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.793 0.837 . . . . 0.0 110.636 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.2 -51.45 68.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 39' ' ' GLY . 8.6 tt0 -57.21 -28.57 62.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.638 2.375 . . . . 0.0 111.981 174.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.2 41.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.615 1.566 . . . . 0.0 112.65 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 37' ' ' GLN . . . 175.65 -61.26 0.11 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 127.809 2.623 . . . . 0.0 108.717 -177.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -83.98 41.61 0.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.123 0.969 . . . . 0.0 112.022 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -175.91 -55.25 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 127.039 2.135 . . . . 0.0 106.897 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -49.71 -61.73 1.96 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.681 1.592 . . . . 0.0 111.589 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -71.39 -39.71 71.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.739 0.816 . . . . 0.0 110.55 -176.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -52.47 -55.11 24.15 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.552 1.541 . . . . 0.0 111.871 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 60.61 51.03 5.25 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.621 1.569 . . . . 0.0 108.722 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 82.5 tttt -101.16 -116.57 0.17 Allowed 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.098 2.159 . . . . 0.0 106.724 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 pt -57.24 159.62 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 128.147 2.579 . . . . 0.0 111.055 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 125.113 1.365 . . . . 0.0 110.101 176.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.51 78.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.435 1.494 . . . . 0.0 108.627 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -72.1 -35.13 69.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.928 0.491 . . . . 0.0 111.591 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.92 -43.82 96.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 123.47 0.708 . . . . 0.0 109.144 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.93 -57.81 11.4 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.93 -40.21 13.79 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.201 1.0 . . . . 0.0 112.081 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.42 -46.77 84.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.667 0.787 . . . . 0.0 110.822 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.18 -39.91 65.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.293 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.4 -34.34 70.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 119.143 0.883 . . . . 0.0 108.878 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.4 t -61.59 -38.9 89.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -77.43 -39.64 46.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.57 1.148 . . . . 0.0 112.244 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.3 -49.39 54.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 C-N-CA 124.998 1.319 . . . . 0.0 108.243 -176.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -35.29 78.43 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.172 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -64.33 -42.13 96.43 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.236 -0.654 . . . . 0.0 109.236 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 t -61.26 -35.72 78.04 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.49 60.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.3 0.24 . . . . 0.0 110.775 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -34.28 77.4 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -63.47 -32.39 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.375 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.14 -42.47 69.14 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.046 0.939 . . . . 0.0 111.258 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mmt -61.08 -51.01 70.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 N--CA 1.442 -0.844 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 174.428 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.98 -44.11 66.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.502 1.121 . . . . 0.0 108.834 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -69.54 -38.94 77.69 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 111.323 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -37.9 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.7 1.6 . . . . 0.0 109.205 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.6 -57.26 9.58 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.83 13.21 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.179 0.992 . . . . 0.0 112.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.74 -46.97 82.98 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.674 0.79 . . . . 0.0 110.974 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.24 -38.78 65.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.575 -174.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.46 -34.75 70.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.17 0.895 . . . . 0.0 108.843 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -38.86 89.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -77.68 -40.13 42.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.525 1.13 . . . . 0.0 112.028 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.4 t -70.26 -49.02 57.63 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 124.707 1.203 . . . . 0.0 108.237 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -35.1 78.61 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.888 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -63.4 -42.85 98.78 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.6 m -61.63 -30.49 70.74 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.13 -28.79 27.22 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.588 0.755 . . . . 0.0 111.344 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.11 77.11 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.14 -35.85 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.219 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -68.85 -44.18 73.91 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.594 1.158 . . . . 0.0 110.964 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -61.64 -51.35 68.86 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.443 -0.804 0 C-N-CA 127.19 2.196 . . . . 0.0 111.801 174.91 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.01 -34.39 64.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.5 1.52 . . . . 0.0 110.274 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -66.28 -45.19 81.29 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 118.494 0.588 . . . . 0.0 110.613 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.02 -43.32 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.909 1.284 . . . . 0.0 109.06 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.12 -54.46 46.77 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.587 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -37.22 54.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.684 0.794 . . . . 0.0 112.111 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -63.56 -48.4 77.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.807 0.843 . . . . 0.0 109.615 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 -34.52 72.55 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.095 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -78.96 6.07 10.14 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.45 1.1 . . . . 0.0 111.505 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -108.19 -37.9 5.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 172.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -78.37 -46.36 20.19 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.59 -47.33 65.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.297 17.8 m -55.75 -36.13 66.94 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 127.094 2.157 . . . . 0.0 110.52 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.8 -46.63 65.3 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 p -57.85 -36.28 72.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.625 0.77 . . . . 0.0 109.415 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.01 -34.02 66.13 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.641 0.777 . . . . 0.0 110.111 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -34.53 78.67 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.779 0.718 . . . . 0.0 109.605 174.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.83 -36.46 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.4 63.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.009 0.822 . . . . 0.0 111.667 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -37.22 74.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 N--CA 1.444 -0.74 0 C-N-CA 128.016 2.526 . . . . 0.0 108.376 174.321 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.49 73.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.456 1.103 . . . . 0.0 110.694 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -69.2 -39.52 78.59 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.795 0.725 . . . . 0.0 110.667 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.47 -42.26 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.001 0.92 . . . . 0.0 109.378 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.13 -50.86 71.51 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 118.318 -0.849 . . . . 0.0 108.935 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.54 62.78 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.1 0.864 . . . . 0.0 111.776 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -63.05 -51.77 65.38 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.665 0.786 . . . . 0.0 109.505 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -68.26 -38.04 81.35 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.963 -174.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.25 -56.92 13.79 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -46.41 -43.1 16.05 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.998 0.811 . . . . 0.0 111.768 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.83 -41.8 61.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.379 1.472 . . . . 0.0 111.933 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.26 -51.28 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 C-N-CA 125.135 1.374 . . . . 0.0 107.496 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 87.9 m -56.4 -35.21 67.51 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 128.007 2.523 . . . . 0.0 111.209 174.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -45.71 69.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.443 0.565 . . . . 0.0 109.65 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -60.6 -23.49 64.75 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.359 0.664 . . . . 0.0 110.638 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.15 17.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.808 0.843 . . . . 0.0 110.313 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -33.8 74.92 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mm -58.07 -40.27 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.112 0.965 . . . . 0.0 108.657 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 mmt -70.81 -40.77 72.28 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.676 1.19 . . . . 0.0 110.925 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.05 -50.49 71.79 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 N--CA 1.443 -0.82 0 C-N-CA 126.919 2.088 . . . . 0.0 109.908 174.73 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.15 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.741 1.216 . . . . 0.0 110.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm105 -67.75 -41.67 82.99 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.723 0.692 . . . . 0.0 110.437 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.0 -40.99 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.166 0.986 . . . . 0.0 109.673 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.26 -52.45 64.68 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.147 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.26 -37.56 55.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.611 0.764 . . . . 0.0 111.994 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -63.2 -47.63 81.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.893 0.877 . . . . 0.0 110.019 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -34.6 71.92 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.301 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mmm -78.19 4.24 13.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.464 1.106 . . . . 0.0 111.515 175.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 t -106.44 -35.41 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -83.33 -44.86 14.42 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.152 1.781 . . . . 0.0 112.669 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.91 -50.26 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.283 10.3 m -55.97 -34.91 66.16 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 128.898 2.879 . . . . 0.0 111.432 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.95 -40.89 71.75 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.144 0.429 . . . . 0.0 110.216 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.21 -38.29 82.89 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.99 69.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.129 0.572 . . . . 0.0 110.726 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -34.17 77.37 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 121.331 -0.855 . . . . 0.0 110.074 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mm -72.95 -7.85 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 C-N-CA 123.445 0.698 . . . . 0.0 110.262 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -29.11 11.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 ptm -76.46 -40.67 49.77 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 N--CA 1.445 -0.682 0 C-N-CA 128.068 2.547 . . . . 0.0 107.994 174.108 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.79 84.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.262 1.425 . . . . 0.0 107.647 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -74.42 -38.97 62.9 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 117.966 0.348 . . . . 0.0 110.145 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.81 -42.95 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.662 0.785 . . . . 0.0 108.992 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.71 -55.05 37.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.29 -39.69 46.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.623 0.769 . . . . 0.0 112.062 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.11 -46.64 86.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.223 1.009 . . . . 0.0 109.93 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.41 73.21 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.114 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -79.53 6.39 10.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.713 1.205 . . . . 0.0 111.807 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -109.13 -35.67 6.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -82.15 -45.98 14.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.065 1.746 . . . . 0.0 112.202 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.81 -49.55 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.288 12.2 m -56.52 -33.56 66.17 Favored 'General case' 0 N--CA 1.42 -1.946 0 C-N-CA 128.873 2.869 . . . . 0.0 111.676 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -71.14 -41.66 70.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 118.382 0.537 . . . . 0.0 109.801 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.54 -37.88 82.64 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -26.87 61.76 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.17 0.188 . . . . 0.0 110.847 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -31.45 71.36 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.69 -30.11 49.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.5 -43.57 59.8 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.127 0.971 . . . . 0.0 110.974 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -37.47 86.41 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 N--CA 1.441 -0.902 0 C-N-CA 127.625 2.37 . . . . 0.0 108.322 174.258 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 20' ' ' VAL . 30.6 ttmt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.57 73.53 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -69.67 -41.83 74.95 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 118.271 0.487 . . . . 0.0 111.064 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.06 -37.66 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.801 1.241 . . . . 0.0 109.342 -175.418 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.8 -53.09 44.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.95 -37.88 47.18 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.34 0.656 . . . . 0.0 112.202 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.8 -49.42 75.03 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.737 0.815 . . . . 0.0 110.002 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.0 79.53 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.685 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.0 mmt -80.5 1.02 31.12 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.407 1.083 . . . . 0.0 111.876 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.1 p -115.63 -7.62 12.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.292 1.037 . . . . 0.0 109.147 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -101.18 -48.04 4.53 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.174 1.789 . . . . 0.0 112.234 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.6 t -68.69 -51.36 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 C-N-CA 125.158 1.383 . . . . 0.0 107.413 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.264 5.5 m -56.94 -29.4 63.1 Favored 'General case' 0 N--CA 1.42 -1.947 0 C-N-CA 128.009 2.524 . . . . 0.0 111.874 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -42.63 48.5 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.271 0.628 . . . . 0.0 110.269 174.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 t -58.76 -36.04 73.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 174.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -32.0 72.95 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 120.573 -1.33 . . . . 0.0 107.43 173.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 mt -66.26 -38.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.017 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.4 ptp -74.73 -30.3 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.833 1.197 . . . . 0.0 111.179 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -38.14 69.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.42 0.554 . . . . 0.0 109.963 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 N--CA 1.446 -0.658 0 C-N-CA 128.118 2.567 . . . . 0.0 109.499 174.751 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -39.95 69.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.94 -43.35 79.29 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.482 0.583 . . . . 0.0 111.143 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -38.38 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.613 1.565 . . . . 0.0 109.589 -174.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 tp -66.82 -54.25 24.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.85 -39.13 52.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.9 -43.68 87.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.213 1.005 . . . . 0.0 110.385 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.56 75.64 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.696 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.4 mmt -76.56 1.99 15.19 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.905 1.682 . . . . 0.0 111.226 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 t -107.07 -23.75 12.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.138 1.375 . . . . 0.0 107.92 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -95.34 -41.88 8.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.935 1.694 . . . . 0.0 112.878 -176.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.4 -44.8 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 124.938 1.295 . . . . 0.0 108.294 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.321 32.5 p -58.81 -35.51 72.98 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 127.153 2.181 . . . . 0.0 110.025 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.33 -41.65 66.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.681 0.792 . . . . 0.0 110.137 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -61.72 -29.96 70.45 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.37 -30.49 27.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.79 1.236 . . . . 0.0 111.155 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -34.75 78.02 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.96 -35.25 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.358 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.23 -42.03 80.37 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.139 0.881 . . . . 0.0 110.861 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 mmt -60.83 -51.07 70.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 N--CA 1.449 -0.508 0 C-N-CA 129.376 3.07 . . . . 0.0 113.052 174.861 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' HG12 ' A' ' 20' ' ' VAL . 56.9 mttt . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.6 -40.44 66.54 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 174.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -68.21 -44.45 75.75 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 111.271 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.75 -37.78 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.217 1.807 . . . . 0.0 109.382 -174.833 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.34 -51.34 53.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.11 60.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.225 0.92 . . . . 0.0 111.765 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.59 -49.08 76.64 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.099 0.96 . . . . 0.0 110.038 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.16 -36.36 71.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.194 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.5 mmm -61.83 -56.13 22.67 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -47.8 -41.78 24.4 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 124.2 0.938 . . . . 0.0 112.124 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -71.13 -45.32 63.83 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 111.571 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 24' ' ' ALA . 59.9 t -67.41 -48.48 77.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 C-N-CA 125.135 1.374 . . . . 0.0 108.006 -174.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.276 99.8 m -58.14 -35.72 71.93 Favored 'General case' 0 N--CA 1.423 -1.799 0 C-N-CA 128.389 2.676 . . . . 0.0 111.143 174.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -45.2 67.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.164 0.586 . . . . 0.0 110.166 174.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.19 -27.81 67.44 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.463 0.705 . . . . 0.0 110.141 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.18 -27.72 22.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.977 0.911 . . . . 0.0 111.144 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.22 75.48 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 174.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.81 -41.38 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.33 -41.56 93.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -41.27 90.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 N--CA 1.443 -0.805 0 C-N-CA 127.842 2.457 . . . . 0.0 111.769 -179.086 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -36.45 65.36 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.183 1.393 . . . . 0.0 110.386 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -70.16 -37.43 75.2 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.544 0.611 . . . . 0.0 111.05 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.13 -43.46 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.978 1.311 . . . . 0.0 109.464 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.11 -53.09 61.9 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.637 -0.696 . . . . 0.0 109.425 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.15 51.87 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.066 0.946 . . . . 0.0 112.052 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.59 -47.06 83.0 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.689 0.796 . . . . 0.0 110.018 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.43 76.12 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.071 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 mmt -77.78 3.6 13.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.814 1.246 . . . . 0.0 111.667 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -104.35 -38.55 6.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 173.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -79.09 -47.47 16.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.713 2.005 . . . . 0.0 112.425 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.04 -49.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.281 9.1 m -55.07 -36.8 66.0 Favored 'General case' 0 N--CA 1.42 -1.928 0 C-N-CA 128.939 2.896 . . . . 0.0 111.515 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -45.55 67.3 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 122.926 0.49 . . . . 0.0 110.059 174.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 t -58.95 -32.05 69.26 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 123.162 0.585 . . . . 0.0 109.719 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.27 34.2 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.561 0.745 . . . . 0.0 111.106 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -31.46 72.06 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.9 mm -62.38 -33.42 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.2 mmm -70.89 -48.02 56.04 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.383 1.073 . . . . 0.0 110.469 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.52 76.13 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.914 0.486 . . . . 0.0 109.832 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.442 -0.871 0 C-N-CA 127.588 2.355 . . . . 0.0 110.183 174.695 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.21 65.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.264 1.025 . . . . 0.0 108.925 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -69.05 -40.43 78.55 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 117.911 0.323 . . . . 0.0 111.315 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -38.31 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 125.769 1.627 . . . . 0.0 108.901 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.28 -58.25 7.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.63 15.37 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 124.135 0.974 . . . . 0.0 111.971 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.775 0.83 . . . . 0.0 111.047 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -75.22 -39.0 60.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.589 -175.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -72.27 -36.3 68.96 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.424 1.011 . . . . 0.0 109.065 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.6 p -64.45 -31.03 72.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.182 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -80.69 -39.92 26.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.098 0.959 . . . . 0.0 112.565 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ALA . 53.6 t -69.87 -48.61 62.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 C-N-CA 125.013 1.325 . . . . 0.0 108.075 -176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -35.77 78.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 174.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -65.42 -39.77 92.54 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 t -61.84 -34.95 76.89 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.38 -27.5 41.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.405 0.682 . . . . 0.0 111.595 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -33.27 75.37 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mt -61.46 -38.05 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.0 mmm -65.14 -44.11 89.68 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 118.85 0.75 . . . . 0.0 109.765 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -66.6 -36.17 81.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.391 0.432 . . . . 0.0 109.867 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 N--CA 1.442 -0.831 0 C-N-CA 127.648 2.379 . . . . 0.0 111.226 178.02 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 103.373 -2.825 . . . . 0.0 103.373 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.41 82.21 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.666 1.587 . . . . 0.0 107.655 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.71 -43.25 69.34 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 121.153 0.501 . . . . 0.0 110.427 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.85 -41.64 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.279 1.032 . . . . 0.0 109.216 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.5 -53.64 51.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.71 51.03 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.844 0.747 . . . . 0.0 111.803 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.06 -47.29 80.72 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.481 1.113 . . . . 0.0 110.428 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.73 77.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.889 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.6 mmm -77.1 -2.73 35.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.619 1.167 . . . . 0.0 111.531 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.2 m -103.38 -19.18 14.53 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -96.98 -49.26 5.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.812 1.645 . . . . 0.0 112.715 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.85 -49.36 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 125.621 1.568 . . . . 0.0 107.831 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 14.1 m -55.97 -33.16 64.54 Favored 'General case' 0 N--CA 1.42 -1.93 0 C-N-CA 127.959 2.504 . . . . 0.0 111.451 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -43.05 59.76 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.778 0.831 . . . . 0.0 110.605 174.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -59.24 -34.47 72.24 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.01 -28.83 39.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.831 0.852 . . . . 0.0 111.739 174.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -33.41 75.9 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.88 -36.05 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 117.931 -1.033 . . . . 0.0 108.276 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.01 -43.32 88.03 Favored 'General case' 0 C--N 1.337 0.033 0 CA-C-N 119.441 1.019 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -32.12 73.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.207 0.603 . . . . 0.0 110.383 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.445 -0.723 0 C-N-CA 127.788 2.435 . . . . 0.0 111.949 -179.695 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.23 70.06 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -68.7 -41.8 78.65 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.4 0.545 . . . . 0.0 111.28 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -37.3 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.643 1.577 . . . . 0.0 109.229 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.89 -56.82 9.83 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.22 -41.32 18.1 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.486 1.115 . . . . 0.0 112.036 -177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.4 -43.23 98.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.51 1.124 . . . . 0.0 111.078 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.04 55.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.122 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -84.63 13.48 5.62 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 119.141 0.882 . . . . 0.0 111.922 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 p -118.39 -32.33 4.67 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.755 1.622 . . . . 0.0 106.65 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -79.72 -49.26 12.34 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.79 1.636 . . . . 0.0 111.961 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.47 -48.46 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -54.99 -37.03 66.03 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 129.078 2.951 . . . . 0.0 111.742 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.93 -46.23 65.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.077 0.465 . . . . 0.0 109.932 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 t -58.56 -30.39 67.12 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.334 0.654 . . . . 0.0 109.901 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.75 -28.63 28.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.556 0.743 . . . . 0.0 111.062 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.63 76.94 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.092 0.86 . . . . 0.0 108.732 174.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.08 -37.87 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.265 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.2 mmm -68.04 -41.64 81.75 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.867 0.867 . . . . 0.0 110.8 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -60.71 -48.97 79.4 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.751 0.82 . . . . 0.0 108.894 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 N--CA 1.445 -0.679 0 C-N-CA 127.771 2.428 . . . . 0.0 111.212 174.784 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.1 63.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.466 1.106 . . . . 0.0 110.242 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -67.14 -43.24 82.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 118.681 0.673 . . . . 0.0 110.408 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.37 -42.64 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.756 1.222 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.24 -54.18 49.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.247 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.51 -41.19 60.82 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.825 0.739 . . . . 0.0 111.74 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -62.07 -47.76 83.22 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.975 0.91 . . . . 0.0 110.062 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.06 -37.15 72.51 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.253 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.54 -47.36 84.26 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -57.22 -38.92 74.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.58 0.55 . . . . 0.0 111.242 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -77.59 -38.21 48.78 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.546 0.738 . . . . 0.0 112.41 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' ALA . 55.4 t -71.04 -49.38 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 125.531 1.532 . . . . 0.0 108.065 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -33.44 75.33 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.022 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -66.78 -40.28 88.12 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 t -60.52 -35.08 75.12 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -80.12 -26.59 39.4 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 174.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -35.32 78.1 Favored 'General case' 0 C--O 1.227 -0.128 0 O-C-N 120.642 -1.286 . . . . 0.0 107.719 174.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.63 -37.25 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-O 117.259 -1.353 . . . . 0.0 110.234 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.9 ptp -73.85 -29.4 62.09 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.362 1.437 . . . . 0.0 111.68 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -68.33 -55.17 12.99 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 N--CA 1.444 -0.746 0 C-N-CA 127.635 2.374 . . . . 0.0 110.284 174.648 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.69 91.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.32 1.848 . . . . 0.0 109.519 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -71.62 -36.76 70.87 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.811 0.445 . . . . 0.0 111.37 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.69 -44.28 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.097 0.959 . . . . 0.0 109.31 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.15 44.44 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 111.799 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.69 -47.02 85.46 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.906 0.883 . . . . 0.0 110.295 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.58 80.12 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.567 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 mmt -79.04 1.36 24.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.813 1.245 . . . . 0.0 111.741 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -111.19 -12.98 14.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.082 1.353 . . . . 0.0 108.702 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -101.79 -47.59 4.56 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 126.04 1.736 . . . . 0.0 112.244 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.26 -51.79 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 C-N-CA 125.423 1.489 . . . . 0.0 107.186 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -54.43 -34.32 61.16 Favored 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 128.302 2.641 . . . . 0.0 111.51 174.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -44.64 62.62 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.221 0.608 . . . . 0.0 110.281 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 t -59.85 -28.86 67.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.992 0.517 . . . . 0.0 110.014 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 -28.98 25.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.715 0.806 . . . . 0.0 110.873 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.84 75.66 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 119.132 0.878 . . . . 0.0 108.672 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.8 -34.26 58.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.137 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -72.99 -40.85 64.88 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.365 1.066 . . . . 0.0 111.359 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.5 mmm -61.74 -49.64 75.63 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.44 -0.935 0 C-N-CA 126.924 2.09 . . . . 0.0 108.738 174.326 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.03 70.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.924 1.29 . . . . 0.0 110.61 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -69.34 -39.64 78.02 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.463 0.574 . . . . 0.0 110.694 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.36 -43.16 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.877 0.871 . . . . 0.0 109.454 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.21 -53.05 62.67 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.519 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.75 61.05 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.114 0.87 . . . . 0.0 111.937 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.33 -47.25 82.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.875 0.87 . . . . 0.0 110.023 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -70.84 -38.65 73.22 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.183 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 75.2 mmm -63.28 -55.54 23.89 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -51.64 -37.01 48.43 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.061 0.851 . . . . 0.0 112.055 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.27 -44.95 62.04 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.7 1.2 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' ALA . 52.9 t -67.96 -48.85 73.21 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 125.204 1.402 . . . . 0.0 107.896 -175.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 99.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.423 -1.801 0 C-N-CA 128.513 2.725 . . . . 0.0 110.925 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -45.27 71.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.241 0.473 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 t -59.38 -31.27 69.07 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.218 0.607 . . . . 0.0 109.758 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.47 -27.47 31.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.365 0.666 . . . . 0.0 111.122 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -31.93 73.22 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.15 -34.04 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.67 -43.01 66.77 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.624 1.17 . . . . 0.0 110.688 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -37.04 80.84 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -178.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 N--CA 1.445 -0.68 0 C-N-CA 128.29 2.636 . . . . 0.0 109.945 174.671 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.35 76.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.781 1.633 . . . . 0.0 108.802 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -67.85 -43.61 79.1 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 122.942 0.497 . . . . 0.0 111.098 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.52 -42.72 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 124.628 1.171 . . . . 0.0 108.951 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.0 -58.68 7.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.94 -38.18 16.08 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.501 1.12 . . . . 0.0 112.28 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.26 -46.16 81.63 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.903 0.881 . . . . 0.0 110.781 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.46 63.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.171 0.988 . . . . 0.0 112.452 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -84.24 13.22 5.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.92 0.782 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -115.04 -37.17 4.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 106.435 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -78.23 -49.05 14.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.105 1.762 . . . . 0.0 111.633 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.32 -47.85 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -55.44 -36.4 66.49 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 128.51 2.724 . . . . 0.0 111.62 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.13 -46.32 65.03 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.131 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.1 m -58.53 -31.89 68.36 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.522 0.729 . . . . 0.0 109.83 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.24 -27.36 35.26 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.191 0.596 . . . . 0.0 110.691 174.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -31.11 71.61 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.22 -33.83 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mmm -72.56 -45.38 59.51 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.883 1.273 . . . . 0.0 110.781 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -35.27 79.99 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 N--CA 1.438 -1.05 0 C-N-CA 126.897 2.079 . . . . 0.0 109.154 174.589 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.2 tttt . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.44 74.42 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.216 1.406 . . . . 0.0 108.799 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -68.66 -44.76 73.43 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.277 0.631 . . . . 0.0 111.249 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.29 -38.45 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.233 1.813 . . . . 0.0 109.309 -174.816 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.01 -51.77 50.81 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -38.72 57.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.204 0.911 . . . . 0.0 111.927 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.03 -45.1 86.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.491 1.116 . . . . 0.0 110.656 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -72.18 -38.94 68.98 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.13 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.0 mmm -63.03 -54.88 31.32 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -50.59 -37.88 42.49 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.791 0.682 . . . . 0.0 111.708 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -72.96 -43.28 62.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.03 1.332 . . . . 0.0 112.138 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.6 t -68.74 -50.42 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 C-N-CA 125.222 1.409 . . . . 0.0 107.688 -174.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 88.0 m -56.12 -36.56 68.35 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 128.267 2.627 . . . . 0.0 111.094 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -41.31 71.92 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.027 0.531 . . . . 0.0 110.63 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 t -61.35 -36.41 80.1 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.15 63.64 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.896 0.478 . . . . 0.0 110.423 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.05 74.91 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 118.769 0.713 . . . . 0.0 109.345 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 mt -64.41 -39.93 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 118.293 -0.861 . . . . 0.0 108.742 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.42 64.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.529 0.604 . . . . 0.0 111.197 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -71.14 -43.72 67.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.443 -0.815 0 C-N-CA 127.239 2.215 . . . . 0.0 109.811 174.78 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 7.8 mtpm? . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -42.72 66.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -69.46 -39.59 77.66 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.261 0.224 . . . . 0.0 111.365 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.88 -36.61 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.413 1.485 . . . . 0.0 109.64 -174.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.04 -54.58 20.27 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -40.05 40.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.63 0.772 . . . . 0.0 111.926 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -62.53 -46.03 90.26 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.269 1.028 . . . . 0.0 110.515 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.62 71.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.959 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.91 1.87 25.56 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.194 1.398 . . . . 0.0 111.382 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -109.24 -18.58 13.57 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.784 1.634 . . . . 0.0 107.993 173.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -97.93 -44.49 6.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.903 1.681 . . . . 0.0 112.261 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.2 -46.54 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -57.71 -38.99 76.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.65 1.18 . . . . 0.0 111.765 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.12 -41.17 90.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.297 0.639 . . . . 0.0 110.31 175.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.87 -29.55 70.27 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.85 -29.28 27.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.009 0.924 . . . . 0.0 111.34 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.22 77.35 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -60.56 -37.74 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.238 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.12 -43.23 87.75 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.793 0.837 . . . . 0.0 110.636 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.2 -51.45 68.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 N--CA 1.445 -0.682 0 C-N-CA 127.638 2.375 . . . . 0.0 111.981 174.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 119.731 -0.176 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -76.64 71.13 3.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.808 1.243 . . . . 0.0 108.321 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.12 12.89 0.48 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.01 -46.14 79.01 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 126.276 1.83 . . . . 0.0 109.002 174.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -65.99 -30.93 71.57 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.062 1.345 . . . . 0.0 111.603 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -72.49 -43.48 63.59 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.728 0.811 . . . . 0.0 109.918 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.67 -50.06 64.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.007 0.923 . . . . 0.0 110.854 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.62 57.46 4.36 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.631 1.172 . . . . 0.0 110.549 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -134.34 -8.9 2.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.702 1.601 . . . . 0.0 112.545 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.54 -33.89 2.5 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.3 1.429 . . . . 0.0 110.815 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.5 -42.56 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 123.788 0.835 . . . . 0.0 111.744 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.74 -83.63 1.58 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.43 162.77 27.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -64.31 -75.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.723 2.282 . . . . 0.0 107.708 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.25 -44.47 1.11 Allowed Glycine 0 C--N 1.339 0.738 0 C-N-CA 130.325 3.821 . . . . 0.0 113.903 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -117.75 -34.31 4.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 127.677 2.391 . . . . 0.0 107.774 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -62.99 -24.23 67.81 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.51 78.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.435 1.494 . . . . 0.0 108.627 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -72.1 -35.13 69.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.928 0.491 . . . . 0.0 111.591 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.92 -43.82 96.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 123.47 0.708 . . . . 0.0 109.144 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.93 -57.81 11.4 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.93 -40.21 13.79 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.201 1.0 . . . . 0.0 112.081 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.42 -46.77 84.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.667 0.787 . . . . 0.0 110.822 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.18 -39.91 65.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.293 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.4 -34.34 70.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 119.143 0.883 . . . . 0.0 108.878 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.4 t -61.59 -38.9 89.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -77.43 -39.64 46.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.57 1.148 . . . . 0.0 112.244 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.3 -49.39 54.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 C-N-CA 124.998 1.319 . . . . 0.0 108.243 -176.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -35.29 78.43 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.172 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -64.33 -42.13 96.43 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.236 -0.654 . . . . 0.0 109.236 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 t -61.26 -35.72 78.04 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.49 60.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.3 0.24 . . . . 0.0 110.775 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -34.28 77.4 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -63.47 -32.39 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.375 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.14 -42.47 69.14 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.046 0.939 . . . . 0.0 111.258 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mmt -61.08 -51.01 70.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -51.47 -40.31 59.23 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -77.65 63.65 2.79 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 124.111 1.91 . . . . 0.0 109.016 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.67 -57.97 0.21 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 127.425 2.441 . . . . 0.0 107.654 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -79.77 56.64 2.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.014 1.326 . . . . 0.0 109.188 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -170.36 -58.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 127.5 2.32 . . . . 0.0 106.166 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ttp-105 -51.14 -55.4 17.99 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.423 1.489 . . . . 0.0 110.775 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -65.79 -45.83 80.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.321 1.048 . . . . 0.0 110.125 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -65.58 177.75 1.14 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.892 1.677 . . . . 0.0 113.947 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.0 29.41 17.66 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.259 1.824 . . . . 0.0 111.591 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -116.13 -125.95 0.29 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.9 mm -104.12 77.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 128.673 2.789 . . . . 0.0 106.017 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.958 -1.496 . . . . 0.0 109.457 -174.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.562 -0.162 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.9 62.66 1.61 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.052 1.341 . . . . 0.0 111.883 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.63 12.11 0.7 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -104.07 -49.99 3.48 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.356 2.662 . . . . 0.0 108.458 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.3 mtp -65.94 -39.75 90.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.621 1.168 . . . . 0.0 110.354 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 m -66.43 -39.6 89.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.923 0.889 . . . . 0.0 110.045 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -63.24 1.1 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.974 0.509 . . . . 0.0 109.877 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -87.13 59.91 5.87 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.913 1.285 . . . . 0.0 109.717 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.05 178.08 8.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.919 1.287 . . . . 0.0 111.107 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.73 28.12 4.09 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.203 0.906 . . . . 0.0 113.163 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.81 -32.74 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.867 0.867 . . . . 0.0 111.304 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.77 92.05 0.86 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.51 163.38 22.97 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.44 0.543 . . . . 0.0 111.992 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.46 -51.37 10.65 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 124.966 3.778 . . . . 0.0 112.343 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.47 -37.03 12.18 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.245 1.403 . . . . 0.0 113.385 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -88.87 -33.56 17.29 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 118.088 0.944 . . . . 0.0 111.609 174.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -59.5 -28.11 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.099 0.863 . . . . 0.0 109.818 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.98 -44.11 66.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.502 1.121 . . . . 0.0 108.834 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -69.54 -38.94 77.69 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 111.323 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -37.9 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.7 1.6 . . . . 0.0 109.205 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.6 -57.26 9.58 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.83 13.21 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.179 0.992 . . . . 0.0 112.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.74 -46.97 82.98 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.674 0.79 . . . . 0.0 110.974 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.24 -38.78 65.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.575 -174.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.46 -34.75 70.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.17 0.895 . . . . 0.0 108.843 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -38.86 89.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -77.68 -40.13 42.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.525 1.13 . . . . 0.0 112.028 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.4 t -70.26 -49.02 57.63 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 124.707 1.203 . . . . 0.0 108.237 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -35.1 78.61 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.888 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -63.4 -42.85 98.78 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.6 m -61.63 -30.49 70.74 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.13 -28.79 27.22 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.588 0.755 . . . . 0.0 111.344 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.11 77.11 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.14 -35.85 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.219 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -68.85 -44.18 73.91 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.594 1.158 . . . . 0.0 110.964 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -61.64 -51.35 68.86 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.09 -27.8 55.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.19 2.196 . . . . 0.0 111.801 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.04 48.19 0.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.28 1.832 . . . . 0.0 112.191 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.7 -57.43 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.37 2.414 . . . . 0.0 108.365 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.05 62.79 3.55 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.92 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -176.73 -54.87 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.218 2.207 . . . . 0.0 106.725 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.79 -55.34 35.6 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.262 1.825 . . . . 0.0 110.48 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.4 -46.18 77.44 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.425 1.09 . . . . 0.0 109.7 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -52.61 -65.59 0.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.791 1.636 . . . . 0.0 111.325 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.44 71.03 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.693 1.597 . . . . 0.0 108.843 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -93.45 -125.2 0.1 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.4 mm -87.79 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 C-N-CA 127.275 2.23 . . . . 0.0 106.93 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.297 1.439 . . . . 0.0 109.759 -178.674 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 155.06 25.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.241 1.016 . . . . 0.0 110.903 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.78 11.13 0.55 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mtt -71.25 -46.65 60.51 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 126.277 1.831 . . . . 0.0 108.637 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.1 mtp -66.6 -36.15 81.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.848 1.259 . . . . 0.0 110.624 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.6 m -67.83 -38.15 82.84 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.999 0.92 . . . . 0.0 110.411 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.65 54.95 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.363 0.665 . . . . 0.0 110.924 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -110.18 70.25 0.72 Allowed 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.437 1.495 . . . . 0.0 109.534 -174.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.73 75.94 2.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.255 1.022 . . . . 0.0 109.678 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.45 -53.84 40.82 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.333 8.6 p 42.73 48.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.33 0 C-N-CA 128.015 2.526 . . . . 0.0 110.41 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.99 -46.62 1.03 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.299 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.36 157.89 33.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -55.55 -53.72 5.29 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 124.772 3.648 . . . . 0.0 112.804 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.83 -41.87 20.95 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.975 1.274 . . . . 0.0 113.047 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -85.46 -31.59 22.74 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 117.52 0.66 . . . . 0.0 111.76 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -60.83 -32.21 71.6 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.01 -34.39 64.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.5 1.52 . . . . 0.0 110.274 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -66.28 -45.19 81.29 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 118.494 0.588 . . . . 0.0 110.613 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.02 -43.32 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.909 1.284 . . . . 0.0 109.06 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.12 -54.46 46.77 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.587 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -37.22 54.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.684 0.794 . . . . 0.0 112.111 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -63.56 -48.4 77.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.807 0.843 . . . . 0.0 109.615 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 -34.52 72.55 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.095 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -78.96 6.07 10.14 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.45 1.1 . . . . 0.0 111.505 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -108.19 -37.9 5.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 172.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -78.37 -46.36 20.19 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.59 -47.33 65.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.297 17.8 m -55.75 -36.13 66.94 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 127.094 2.157 . . . . 0.0 110.52 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.8 -46.63 65.3 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 p -57.85 -36.28 72.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.625 0.77 . . . . 0.0 109.415 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.01 -34.02 66.13 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.641 0.777 . . . . 0.0 110.111 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -34.53 78.67 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.779 0.718 . . . . 0.0 109.605 174.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.83 -36.46 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.4 63.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.009 0.822 . . . . 0.0 111.667 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -37.22 74.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -65.21 -39.15 92.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 128.016 2.526 . . . . 0.0 108.376 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -81.52 48.03 1.12 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 109.61 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -162.3 -62.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 C-N-CA 126.952 2.215 . . . . 0.0 108.538 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 24.22 45.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 129.411 3.085 . . . . 0.0 116.212 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -172.36 -61.77 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.958 1.703 . . . . 0.0 106.937 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -71.25 -41.98 69.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.672 1.189 . . . . 0.0 108.824 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -66.18 -32.18 73.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 126.12 1.768 . . . . 0.0 111.308 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -61.44 177.73 0.36 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.797 1.639 . . . . 0.0 113.37 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 59.12 57.5 3.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.015 1.326 . . . . 0.0 108.811 -174.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 32.4 ttmt -109.98 -125.35 0.27 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.31 2.244 . . . . 0.0 105.776 -174.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.1 mm -131.58 141.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 C-N-CA 130.218 3.407 . . . . 0.0 106.867 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.7 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.203 -1.38 . . . . 0.0 108.821 179.056 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.3 78.2 3.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.949 0.9 . . . . 0.0 108.703 174.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.91 14.08 0.24 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 117.795 2.517 . . . . 0.0 117.795 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.98 -53.87 33.4 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 127.633 2.373 . . . . 0.0 108.835 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.6 ptm -63.13 -31.57 72.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.858 1.263 . . . . 0.0 111.29 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -69.6 -39.58 77.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.721 0.808 . . . . 0.0 110.128 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -63.18 1.16 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.303 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -88.24 54.02 2.93 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.656 0.741 . . . . 0.0 111.098 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -80.54 -39.53 27.6 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.308 1.043 . . . . 0.0 110.932 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.23 49.91 19.02 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.25 -37.84 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.906 0.882 . . . . 0.0 111.195 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.19 -36.0 3.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.374 0.988 . . . . 0.0 111.649 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.5 154.47 18.94 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.697 1.618 . . . . 0.0 109.815 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -65.32 -64.42 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.547 2.832 . . . . 0.0 111.733 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.71 -34.64 36.77 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.063 1.316 . . . . 0.0 112.327 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -78.56 -35.17 46.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.339 0.655 . . . . 0.0 111.653 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.05 -36.85 82.88 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.49 73.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.456 1.103 . . . . 0.0 110.694 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -69.2 -39.52 78.59 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.795 0.725 . . . . 0.0 110.667 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.47 -42.26 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.001 0.92 . . . . 0.0 109.378 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.13 -50.86 71.51 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 118.318 -0.849 . . . . 0.0 108.935 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.54 62.78 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.1 0.864 . . . . 0.0 111.776 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -63.05 -51.77 65.38 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.665 0.786 . . . . 0.0 109.505 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -68.26 -38.04 81.35 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.963 -174.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.25 -56.92 13.79 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -46.41 -43.1 16.05 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.998 0.811 . . . . 0.0 111.768 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.83 -41.8 61.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.379 1.472 . . . . 0.0 111.933 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.26 -51.28 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 C-N-CA 125.135 1.374 . . . . 0.0 107.496 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 87.9 m -56.4 -35.21 67.51 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 128.007 2.523 . . . . 0.0 111.209 174.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -45.71 69.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.443 0.565 . . . . 0.0 109.65 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -60.6 -23.49 64.75 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.359 0.664 . . . . 0.0 110.638 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.15 17.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.808 0.843 . . . . 0.0 110.313 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -33.8 74.92 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mm -58.07 -40.27 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.112 0.965 . . . . 0.0 108.657 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 mmt -70.81 -40.77 72.28 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.676 1.19 . . . . 0.0 110.925 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.05 -50.49 71.79 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -54.27 -39.02 66.49 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 126.919 2.088 . . . . 0.0 109.908 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.9 48.63 1.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.864 2.065 . . . . 0.0 109.41 174.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.41 -69.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.745 2.593 . . . . 0.0 108.279 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.05 55.55 2.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.18 0.992 . . . . 0.0 110.76 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -159.2 -52.2 0.06 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.048 1.739 . . . . 0.0 107.235 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -59.59 -45.23 92.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.767 1.227 . . . . 0.0 109.671 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -63.8 -44.77 92.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.676 1.191 . . . . 0.0 109.927 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -69.0 -171.35 0.3 Allowed 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.82 1.648 . . . . 0.0 111.865 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 70.02 80.1 0.18 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.554 1.542 . . . . 0.0 110.436 174.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -86.6 53.12 2.7 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.511 1.924 . . . . 0.0 107.984 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm 68.27 60.66 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.219 2.208 . . . . 0.0 108.551 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.251 1.132 0 C-N-CA 125.415 1.486 . . . . 0.0 107.755 177.816 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.769 -0.086 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.49 175.82 1.66 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.012 0.925 . . . . 0.0 110.874 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -68.49 11.37 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.11 -37.65 75.41 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.618 1.967 . . . . 0.0 108.61 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.6 ptm -65.3 -24.3 67.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.909 1.284 . . . . 0.0 111.4 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 m -86.33 -39.83 16.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.951 0.5 . . . . 0.0 110.008 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.67 -20.36 33.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.251 1.42 . . . . 0.0 113.644 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -85.1 -138.83 0.07 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -8.73 111.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 130.965 3.706 . . . . 0.0 114.801 -174.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.6 -57.45 0.72 Allowed Glycine 0 C--N 1.338 0.678 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.68 -30.04 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.72 0.808 . . . . 0.0 111.269 174.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.67 47.28 0.56 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.0 -176.99 43.76 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.214 0.911 . . . . 0.0 111.48 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.55 -57.43 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.731 2.954 . . . . 0.0 110.406 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.06 -30.82 17.27 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.532 1.539 . . . . 0.0 113.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -81.63 -37.83 26.95 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.272 1.036 . . . . 0.0 111.501 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -60.46 -36.75 78.99 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.15 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.741 1.216 . . . . 0.0 110.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm105 -67.75 -41.67 82.99 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.723 0.692 . . . . 0.0 110.437 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.0 -40.99 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.166 0.986 . . . . 0.0 109.673 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.26 -52.45 64.68 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.147 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.26 -37.56 55.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.611 0.764 . . . . 0.0 111.994 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -63.2 -47.63 81.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.893 0.877 . . . . 0.0 110.019 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -34.6 71.92 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.301 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mmm -78.19 4.24 13.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.464 1.106 . . . . 0.0 111.515 175.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 t -106.44 -35.41 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -83.33 -44.86 14.42 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.152 1.781 . . . . 0.0 112.669 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.91 -50.26 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.283 10.3 m -55.97 -34.91 66.16 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 128.898 2.879 . . . . 0.0 111.432 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.95 -40.89 71.75 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.144 0.429 . . . . 0.0 110.216 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.21 -38.29 82.89 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.99 69.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.129 0.572 . . . . 0.0 110.726 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -34.17 77.37 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 121.331 -0.855 . . . . 0.0 110.074 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mm -72.95 -7.85 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 C-N-CA 123.445 0.698 . . . . 0.0 110.262 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -29.11 11.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 ptm -76.46 -40.67 49.77 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.14 -42.91 91.78 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 128.068 2.547 . . . . 0.0 107.994 174.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 50.28 1.37 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.681 2.792 . . . . 0.0 109.657 175.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.39 -59.19 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 C-N-CA 127.25 2.357 . . . . 0.0 107.533 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.0 57.16 2.56 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.067 1.347 . . . . 0.0 109.232 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -178.05 -51.76 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.301 2.24 . . . . 0.0 107.162 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -65.27 -55.73 16.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.155 1.382 . . . . 0.0 110.919 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.12 -44.89 90.85 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.419 1.087 . . . . 0.0 109.567 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -51.83 -42.68 62.73 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.169 1.788 . . . . 0.0 110.712 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 72.77 47.55 0.22 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.274 2.23 . . . . 0.0 108.414 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -104.51 51.43 0.77 Allowed 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.921 2.088 . . . . 0.0 107.286 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -77.4 74.57 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 125.006 1.322 . . . . 0.0 109.549 -174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 116.895 -1.526 . . . . 0.0 109.159 177.656 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.579 -0.156 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -76.19 81.65 2.99 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -74.36 9.54 1.65 Allowed 'General case' 0 C--N 1.34 0.187 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -76.55 -46.06 27.97 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 127.543 2.337 . . . . 0.0 107.609 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.8 mtp -66.26 -31.25 71.95 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.453 1.101 . . . . 0.0 110.546 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.417 0.687 . . . . 0.0 110.806 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.4 -58.43 8.65 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.572 0.749 . . . . 0.0 109.499 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -86.69 60.97 6.54 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -48.69 -39.37 24.31 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.392 1.477 . . . . 0.0 113.61 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.37 -29.88 7.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.058 1.313 . . . . 0.0 114.437 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 p -67.89 -36.58 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 118.45 1.125 . . . . 0.0 111.386 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.65 46.24 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 123.91 0.767 . . . . 0.0 111.857 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.83 175.39 38.18 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.04 -60.07 0.58 Allowed 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 124.266 3.31 . . . . 0.0 111.917 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.99 -48.75 51.26 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.974 175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -89.61 61.98 5.7 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 123.155 1.455 . . . . 0.0 110.572 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.14 -51.91 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 130.184 3.393 . . . . 0.0 103.057 174.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.79 84.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.262 1.425 . . . . 0.0 107.647 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -74.42 -38.97 62.9 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 117.966 0.348 . . . . 0.0 110.145 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.81 -42.95 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.662 0.785 . . . . 0.0 108.992 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.71 -55.05 37.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.29 -39.69 46.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.623 0.769 . . . . 0.0 112.062 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.11 -46.64 86.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.223 1.009 . . . . 0.0 109.93 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.41 73.21 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.114 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -79.53 6.39 10.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.713 1.205 . . . . 0.0 111.807 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -109.13 -35.67 6.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -82.15 -45.98 14.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.065 1.746 . . . . 0.0 112.202 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.81 -49.55 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.288 12.2 m -56.52 -33.56 66.17 Favored 'General case' 0 N--CA 1.42 -1.946 0 C-N-CA 128.873 2.869 . . . . 0.0 111.676 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -71.14 -41.66 70.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 118.382 0.537 . . . . 0.0 109.801 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.54 -37.88 82.64 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -26.87 61.76 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.17 0.188 . . . . 0.0 110.847 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -31.45 71.36 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.69 -30.11 49.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.5 -43.57 59.8 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.127 0.971 . . . . 0.0 110.974 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -37.47 86.41 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -61.5 -41.62 97.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 127.625 2.37 . . . . 0.0 108.322 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -76.53 72.7 3.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 123.779 1.752 . . . . 0.0 108.188 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.23 -45.69 0.49 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.142 1.829 . . . . 0.0 109.202 -174.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -49.63 -54.07 20.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.407 1.083 . . . . 0.0 110.577 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.3 113.18 9.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 122.353 1.073 . . . . 0.0 111.062 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -62.62 0.14 Allowed 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 127.813 2.445 . . . . 0.0 106.961 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -112.99 -11.08 13.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.459 2.304 . . . . 0.0 111.264 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -51.77 159.66 0.78 Allowed 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 50.79 66.43 1.17 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.738 -174.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -91.02 51.99 2.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.882 1.673 . . . . 0.0 108.219 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mt 67.67 70.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 127.141 2.177 . . . . 0.0 108.593 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.088 0 C-N-CA 124.972 1.309 . . . . 0.0 107.921 177.17 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.213 0.054 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.8 pm0 -58.81 152.95 18.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.794 1.237 . . . . 0.0 110.826 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -71.48 10.15 0.68 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -174.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 mmt -91.07 -55.44 3.54 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 128.05 2.54 . . . . 0.0 108.577 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.36 74.93 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 127.745 2.418 . . . . 0.0 110.956 174.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.6 m -65.25 -40.09 93.51 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.978 0.911 . . . . 0.0 109.993 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.23 -60.06 2.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.683 0.393 . . . . 0.0 109.987 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 p -88.24 53.89 2.89 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.587 0.755 . . . . 0.0 111.384 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.28 171.02 13.81 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.723 1.209 . . . . 0.0 109.52 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.32 -92.48 0.21 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.309 7.4 p 37.65 42.31 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 128.259 2.624 . . . . 0.0 110.405 -174.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.69 -57.38 0.5 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 112.146 -2.297 . . . . 0.0 109.176 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.31 135.63 2.19 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -80.22 -53.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.925 3.083 . . . . 0.0 112.45 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.6 -47.2 30.01 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.287 1.899 . . . . 0.0 112.362 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -75.85 -29.55 58.61 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.08 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 20' ' ' VAL . 30.6 ttmt -66.51 -28.13 68.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.311 0.959 . . . . 0.0 109.448 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.57 73.53 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -69.67 -41.83 74.95 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 118.271 0.487 . . . . 0.0 111.064 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.06 -37.66 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.801 1.241 . . . . 0.0 109.342 -175.418 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.8 -53.09 44.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.95 -37.88 47.18 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.34 0.656 . . . . 0.0 112.202 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.8 -49.42 75.03 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.737 0.815 . . . . 0.0 110.002 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.0 79.53 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.685 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.0 mmt -80.5 1.02 31.12 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.407 1.083 . . . . 0.0 111.876 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.1 p -115.63 -7.62 12.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.292 1.037 . . . . 0.0 109.147 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -101.18 -48.04 4.53 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.174 1.789 . . . . 0.0 112.234 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.6 t -68.69 -51.36 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 C-N-CA 125.158 1.383 . . . . 0.0 107.413 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.264 5.5 m -56.94 -29.4 63.1 Favored 'General case' 0 N--CA 1.42 -1.947 0 C-N-CA 128.009 2.524 . . . . 0.0 111.874 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -42.63 48.5 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.271 0.628 . . . . 0.0 110.269 174.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 t -58.76 -36.04 73.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 174.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -32.0 72.95 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 120.573 -1.33 . . . . 0.0 107.43 173.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG23 ' NH1' ' A' ' 38' ' ' ARG . 21.1 mt -66.26 -38.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.017 174.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.4 ptp -74.73 -30.3 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.833 1.197 . . . . 0.0 111.179 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -38.14 69.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.42 0.554 . . . . 0.0 109.963 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -64.45 -40.16 95.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.118 2.567 . . . . 0.0 109.499 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' NH1' HG23 ' A' ' 34' ' ' ILE . 5.4 mpt_? -78.62 49.56 0.89 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.235 2.214 . . . . 0.0 110.363 174.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.86 -58.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 127.795 2.617 . . . . 0.0 107.641 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.46 60.28 2.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.673 1.589 . . . . 0.0 109.187 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -175.42 -52.75 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.73 2.012 . . . . 0.0 107.357 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -58.6 -55.37 35.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.004 1.722 . . . . 0.0 110.552 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -65.42 -46.9 78.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.396 1.078 . . . . 0.0 109.731 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.04 -40.9 86.5 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.049 1.74 . . . . 0.0 112.937 -176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 77.69 48.79 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.532 2.333 . . . . 0.0 106.813 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -95.63 48.64 1.15 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.122 1.769 . . . . 0.0 109.535 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.7 -35.67 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.423 1.489 . . . . 0.0 111.109 175.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.605 1.562 . . . . 0.0 108.728 174.431 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.897 -0.038 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.57 68.1 4.48 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.139 0.976 . . . . 0.0 109.55 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -72.64 9.45 1.09 Allowed 'General case' 0 C--N 1.34 0.186 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -81.13 -41.43 22.48 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 129.083 2.953 . . . . 0.0 108.009 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -68.41 -37.5 80.39 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.25 1.42 . . . . 0.0 109.681 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -68.48 -43.01 77.85 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.419 1.088 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.09 -63.37 1.12 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.336 0.654 . . . . 0.0 110.185 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.0 t -89.05 62.76 6.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 109.408 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -83.5 63.78 7.53 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.95 43.12 97.02 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.0 p -77.61 -33.91 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.562 0.745 . . . . 0.0 111.555 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.62 42.2 0.6 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.74 -175.15 47.58 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.74 -59.11 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.56 2.84 . . . . 0.0 110.864 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.34 -39.81 21.82 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.123 1.344 . . . . 0.0 112.211 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -75.52 -33.97 60.77 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.886 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -62.79 -29.85 71.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.849 1.204 . . . . 0.0 109.17 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -39.95 69.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.94 -43.35 79.29 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.482 0.583 . . . . 0.0 111.143 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -38.38 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.613 1.565 . . . . 0.0 109.589 -174.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 tp -66.82 -54.25 24.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.85 -39.13 52.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.9 -43.68 87.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.213 1.005 . . . . 0.0 110.385 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.56 75.64 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.696 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.4 mmt -76.56 1.99 15.19 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.905 1.682 . . . . 0.0 111.226 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 t -107.07 -23.75 12.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.138 1.375 . . . . 0.0 107.92 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -95.34 -41.88 8.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.935 1.694 . . . . 0.0 112.878 -176.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.4 -44.8 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 124.938 1.295 . . . . 0.0 108.294 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.321 32.5 p -58.81 -35.51 72.98 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 127.153 2.181 . . . . 0.0 110.025 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.33 -41.65 66.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.681 0.792 . . . . 0.0 110.137 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -61.72 -29.96 70.45 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.37 -30.49 27.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.79 1.236 . . . . 0.0 111.155 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -34.75 78.02 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.96 -35.25 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.358 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.23 -42.03 80.37 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.139 0.881 . . . . 0.0 110.861 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 mmt -60.83 -51.07 70.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.376 3.07 . . . . 0.0 113.052 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -60.16 124.05 19.05 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 122.03 0.919 . . . . 0.0 109.363 -174.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.25 -33.9 5.48 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.06 -1.882 . . . . 0.0 112.165 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.79 54.75 10.65 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.237 1.519 . . . . 0.0 109.963 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -157.23 -52.89 0.07 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 126.919 2.088 . . . . 0.0 106.067 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -64.28 -39.05 93.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.295 1.438 . . . . 0.0 108.224 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.61 -53.1 56.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.086 1.754 . . . . 0.0 109.663 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.14 -43.8 78.59 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.975 1.71 . . . . 0.0 110.33 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 81.0 87.6 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.411 2.685 . . . . 0.0 110.189 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -90.06 50.78 1.92 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.621 1.568 . . . . 0.0 107.836 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm 64.2 77.55 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.085 2.154 . . . . 0.0 109.42 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.251 1.165 0 CA-C-O 116.794 -1.574 . . . . 0.0 108.107 177.765 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -79.34 76.1 5.91 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.45 13.21 0.26 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -174.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 ttp -66.45 -44.33 83.07 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 126.549 1.94 . . . . 0.0 108.841 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -65.41 -34.36 78.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.049 1.34 . . . . 0.0 111.309 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 m -72.14 -40.92 67.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.106 0.962 . . . . 0.0 110.053 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.34 -56.03 14.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.612 0.765 . . . . 0.0 109.884 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 t -84.98 60.64 6.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.587 1.155 . . . . 0.0 109.485 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -108.74 -60.63 1.72 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.174 1.39 . . . . 0.0 108.773 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.05 -59.29 6.0 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.319 9.2 p 44.44 45.67 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 127.706 2.402 . . . . 0.0 110.721 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.7 91.53 0.56 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 107.199 -2.36 . . . . 0.0 107.199 -174.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 160.29 28.79 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.194 0.426 . . . . 0.0 112.121 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.97 -52.43 5.13 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 124.842 3.694 . . . . 0.0 112.119 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.83 -44.0 23.81 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.348 1.452 . . . . 0.0 112.552 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -79.68 -33.13 41.38 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.444 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' HG12 ' A' ' 20' ' ' VAL . 56.9 mttt -61.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 118.941 0.791 . . . . 0.0 110.209 174.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.6 -40.44 66.54 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 174.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -68.21 -44.45 75.75 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 111.271 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.75 -37.78 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.217 1.807 . . . . 0.0 109.382 -174.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.34 -51.34 53.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.11 60.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.225 0.92 . . . . 0.0 111.765 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.59 -49.08 76.64 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.099 0.96 . . . . 0.0 110.038 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.16 -36.36 71.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.194 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.5 mmm -61.83 -56.13 22.67 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -47.8 -41.78 24.4 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 124.2 0.938 . . . . 0.0 112.124 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -71.13 -45.32 63.83 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 111.571 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 24' ' ' ALA . 59.9 t -67.41 -48.48 77.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 C-N-CA 125.135 1.374 . . . . 0.0 108.006 -174.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.276 99.8 m -58.14 -35.72 71.93 Favored 'General case' 0 N--CA 1.423 -1.799 0 C-N-CA 128.389 2.676 . . . . 0.0 111.143 174.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -45.2 67.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.164 0.586 . . . . 0.0 110.166 174.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.19 -27.81 67.44 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.463 0.705 . . . . 0.0 110.141 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.18 -27.72 22.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.977 0.911 . . . . 0.0 111.144 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.22 75.48 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 174.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.81 -41.38 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.33 -41.56 93.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -41.27 90.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -69.42 -30.86 68.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 127.842 2.457 . . . . 0.0 111.769 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -79.04 47.07 0.75 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.178 1.791 . . . . 0.0 111.155 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.5 -58.49 0.11 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 128.513 2.959 . . . . 0.0 107.546 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -77.5 70.11 3.84 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 124.229 1.012 . . . . 0.0 109.217 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -172.74 -55.23 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 127.126 2.17 . . . . 0.0 106.319 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.39 -46.17 87.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.886 1.274 . . . . 0.0 109.122 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.4 -41.75 88.85 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.882 1.273 . . . . 0.0 110.567 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.9 172.2 1.03 Allowed 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.338 1.455 . . . . 0.0 113.601 -174.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 59.31 71.14 0.6 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.487 1.515 . . . . 0.0 110.06 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -88.91 53.41 2.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.41 1.884 . . . . 0.0 107.92 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm 71.74 60.63 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 127.586 2.354 . . . . 0.0 108.293 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.25 1.096 0 C-N-CA 125.841 1.656 . . . . 0.0 107.529 177.35 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.86 101.59 1.77 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.481 0.712 . . . . 0.0 109.213 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.71 160.83 1.24 Allowed 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.359 2.028 . . . . 0.0 114.785 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.3 ttt 174.09 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 1 CA-C-N 107.945 -4.207 . . . . 0.0 107.948 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -62.07 -36.86 82.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.764 1.226 . . . . 0.0 110.052 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 m -71.01 -38.68 72.65 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.149 0.579 . . . . 0.0 110.531 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.36 92.89 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.299 0.64 . . . . 0.0 110.204 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.0 m -81.61 57.45 3.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.939 1.296 . . . . 0.0 108.71 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.37 -47.52 81.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.506 1.122 . . . . 0.0 111.807 -174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.09 51.45 0.77 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.329 8.7 p 44.96 42.86 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 127.825 2.45 . . . . 0.0 111.013 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.71 49.73 0.14 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 112.307 -2.224 . . . . 0.0 109.697 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.17 -176.7 19.26 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.847 1.213 . . . . 0.0 112.738 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -51.7 -48.58 20.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 124.945 3.764 . . . . 0.0 112.419 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.37 17.49 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.676 1.131 . . . . 0.0 112.211 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -79.56 -30.93 41.85 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 117.636 0.718 . . . . 0.0 111.837 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -61.39 -34.38 75.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.809 0.731 . . . . 0.0 109.268 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -36.45 65.36 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.183 1.393 . . . . 0.0 110.386 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -70.16 -37.43 75.2 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.544 0.611 . . . . 0.0 111.05 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.13 -43.46 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.978 1.311 . . . . 0.0 109.464 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.11 -53.09 61.9 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.637 -0.696 . . . . 0.0 109.425 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.15 51.87 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.066 0.946 . . . . 0.0 112.052 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.59 -47.06 83.0 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.689 0.796 . . . . 0.0 110.018 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.43 76.12 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.071 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 mmt -77.78 3.6 13.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.814 1.246 . . . . 0.0 111.667 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -104.35 -38.55 6.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 173.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -79.09 -47.47 16.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.713 2.005 . . . . 0.0 112.425 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.04 -49.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.281 9.1 m -55.07 -36.8 66.0 Favored 'General case' 0 N--CA 1.42 -1.928 0 C-N-CA 128.939 2.896 . . . . 0.0 111.515 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -45.55 67.3 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 122.926 0.49 . . . . 0.0 110.059 174.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 t -58.95 -32.05 69.26 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 123.162 0.585 . . . . 0.0 109.719 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.27 34.2 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.561 0.745 . . . . 0.0 111.106 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -31.46 72.06 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.9 mm -62.38 -33.42 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.2 mmm -70.89 -48.02 56.04 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.383 1.073 . . . . 0.0 110.469 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.52 76.13 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.914 0.486 . . . . 0.0 109.832 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -71.47 -40.08 70.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.588 2.355 . . . . 0.0 110.183 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 111.66 1.26 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 109.059 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.72 -26.72 4.57 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.728 -1.04 . . . . 0.0 112.985 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 t30 68.62 -15.26 0.24 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.693 1.597 . . . . 0.0 114.313 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -143.15 -43.25 0.29 Allowed 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 125.86 1.664 . . . . 0.0 109.865 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -52.27 -63.06 1.26 Allowed 'General case' 0 C--N 1.34 0.189 0 C-N-CA 126.691 1.996 . . . . 0.0 111.696 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -67.38 -38.91 85.49 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.23 1.012 . . . . 0.0 110.285 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -57.12 -37.68 72.35 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.281 1.433 . . . . 0.0 111.707 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 69.43 52.34 0.46 Allowed 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.916 2.086 . . . . 0.0 108.395 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -105.66 -129.23 0.27 Allowed 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 105.141 -2.17 . . . . 0.0 105.141 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.1 pt -154.37 157.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 C-N-CA 130.857 3.663 . . . . 0.0 107.671 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.799 -1.572 . . . . 0.0 111.043 177.181 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.97 -176.62 0.29 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.383 1.473 . . . . 0.0 112.215 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -52.7 -178.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 129.258 3.023 . . . . 0.0 114.718 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.7 mmt 70.42 -16.25 0.32 Allowed 'General case' 0 N--CA 1.428 -1.553 0 C-N-CA 130.853 3.661 . . . . 0.0 112.946 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -68.56 -31.12 70.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.608 1.163 . . . . 0.0 109.97 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -64.47 -38.22 90.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.497 1.119 . . . . 0.0 109.956 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.68 -54.27 7.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.79 0.836 . . . . 0.0 110.04 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.8 m -84.84 58.82 5.2 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.999 1.32 . . . . 0.0 109.343 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -82.8 71.78 9.89 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.564 1.146 . . . . 0.0 109.455 -174.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.19 43.08 95.97 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -73.87 -34.03 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.661 0.784 . . . . 0.0 111.444 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.22 91.63 0.74 Allowed Glycine 0 C--N 1.339 0.73 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.12 163.53 20.78 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.483 0.563 . . . . 0.0 111.945 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.51 -51.3 10.8 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 125.028 3.819 . . . . 0.0 112.42 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.45 -40.31 15.89 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.125 1.345 . . . . 0.0 113.059 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -85.21 -33.34 22.27 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 117.954 0.877 . . . . 0.0 111.754 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -59.51 -27.71 66.41 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.128 0.876 . . . . 0.0 109.83 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.21 65.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.264 1.025 . . . . 0.0 108.925 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -69.05 -40.43 78.55 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 117.911 0.323 . . . . 0.0 111.315 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -38.31 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 125.769 1.627 . . . . 0.0 108.901 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.28 -58.25 7.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.63 15.37 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 124.135 0.974 . . . . 0.0 111.971 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.775 0.83 . . . . 0.0 111.047 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -75.22 -39.0 60.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.589 -175.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -72.27 -36.3 68.96 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.424 1.011 . . . . 0.0 109.065 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.6 p -64.45 -31.03 72.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.182 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -80.69 -39.92 26.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.098 0.959 . . . . 0.0 112.565 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ALA . 53.6 t -69.87 -48.61 62.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 C-N-CA 125.013 1.325 . . . . 0.0 108.075 -176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -35.77 78.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 174.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -65.42 -39.77 92.54 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 t -61.84 -34.95 76.89 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.38 -27.5 41.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.405 0.682 . . . . 0.0 111.595 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -33.27 75.37 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mt -61.46 -38.05 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.0 mmm -65.14 -44.11 89.68 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 118.85 0.75 . . . . 0.0 109.765 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -66.6 -36.17 81.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.391 0.432 . . . . 0.0 109.867 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -72.03 -32.38 67.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 127.648 2.379 . . . . 0.0 111.226 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.13 44.1 0.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.275 1.83 . . . . 0.0 111.186 175.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.06 -54.76 0.03 OUTLIER Glycine 0 CA--C 1.523 0.583 0 C-N-CA 128.458 2.932 . . . . 0.0 107.622 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -79.29 63.53 3.94 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.032 1.333 . . . . 0.0 108.195 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.3 -57.08 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 128.631 2.773 . . . . 0.0 106.387 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttp-105 -57.99 -43.83 86.8 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.302 1.441 . . . . 0.0 110.271 174.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -64.73 -52.46 56.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.45 1.1 . . . . 0.0 109.648 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.54 -43.78 80.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.191 1.796 . . . . 0.0 112.754 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 61.69 53.42 3.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 127.486 2.314 . . . . 0.0 108.773 -174.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -120.42 -128.91 0.28 Allowed 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 127.02 2.128 . . . . 0.0 105.991 -174.594 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 pt -128.58 171.12 17.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 C-N-CA 129.382 3.073 . . . . 0.0 109.625 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.087 177.249 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.871 -0.048 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.37 68.8 4.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.167 0.987 . . . . 0.0 109.615 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.75 8.56 1.44 Allowed 'General case' 0 C--N 1.341 0.206 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.5 ttm -80.35 -41.35 24.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 127.695 2.398 . . . . 0.0 107.571 174.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 92.3 mtp -66.44 -38.42 87.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.949 1.3 . . . . 0.0 109.636 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -70.11 -39.66 75.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 110.574 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.28 -62.76 1.41 Allowed 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.072 0.549 . . . . 0.0 110.135 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 t -90.24 62.3 5.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.497 1.119 . . . . 0.0 109.169 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -84.77 64.56 8.64 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.992 0.917 . . . . 0.0 109.097 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.4 53.65 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.76 -36.17 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.706 0.802 . . . . 0.0 111.357 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.23 -49.06 0.4 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.47 -169.74 54.87 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.89 -50.01 10.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 124.667 3.578 . . . . 0.0 111.655 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.78 -58.06 13.85 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.321 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -92.42 68.63 4.94 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 123.426 1.584 . . . . 0.0 109.745 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -158.81 -49.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 131.344 3.857 . . . . 0.0 103.373 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.41 82.21 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.666 1.587 . . . . 0.0 107.655 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.71 -43.25 69.34 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 121.153 0.501 . . . . 0.0 110.427 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.85 -41.64 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.279 1.032 . . . . 0.0 109.216 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.5 -53.64 51.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.71 51.03 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.844 0.747 . . . . 0.0 111.803 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.06 -47.29 80.72 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.481 1.113 . . . . 0.0 110.428 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.73 77.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.889 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.6 mmm -77.1 -2.73 35.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.619 1.167 . . . . 0.0 111.531 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.2 m -103.38 -19.18 14.53 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -96.98 -49.26 5.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.812 1.645 . . . . 0.0 112.715 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.85 -49.36 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 125.621 1.568 . . . . 0.0 107.831 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 14.1 m -55.97 -33.16 64.54 Favored 'General case' 0 N--CA 1.42 -1.93 0 C-N-CA 127.959 2.504 . . . . 0.0 111.451 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -43.05 59.76 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.778 0.831 . . . . 0.0 110.605 174.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -59.24 -34.47 72.24 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.01 -28.83 39.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.831 0.852 . . . . 0.0 111.739 174.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -33.41 75.9 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.88 -36.05 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 117.931 -1.033 . . . . 0.0 108.276 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.01 -43.32 88.03 Favored 'General case' 0 C--N 1.337 0.033 0 CA-C-N 119.441 1.019 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -32.12 73.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.207 0.603 . . . . 0.0 110.383 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.33 -30.63 27.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.788 2.435 . . . . 0.0 111.949 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.25 122.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -176.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.34 -34.08 5.21 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 113.389 -1.732 . . . . 0.0 110.476 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -74.81 -51.16 14.79 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.7 1.25 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -47.37 -49.12 25.28 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.672 1.189 . . . . 0.0 112.51 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -49.61 -53.63 22.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.876 2.47 . . . . 0.0 111.276 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.09 -40.82 78.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.642 1.177 . . . . 0.0 111.592 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.72 175.1 0.13 Allowed 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.916 2.086 . . . . 0.0 114.273 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 65.6 70.07 0.45 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.67 1.588 . . . . 0.0 108.915 -174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.329 2.3 mmmp? -80.56 -121.66 0.02 OUTLIER 'General case' 0 N--CA 1.402 -2.852 0 C-N-CA 130.358 3.463 . . . . 0.0 107.66 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.5 mm -75.53 76.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 127.267 2.227 . . . . 0.0 107.98 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.196 -1.383 . . . . 0.0 108.777 177.398 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 119.814 -0.136 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.53 66.09 4.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -98.74 11.7 37.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.6 mmm -72.62 -35.24 67.79 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 127.12 2.168 . . . . 0.0 109.967 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.0 ttp -68.56 -43.96 75.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 C-N-CA 129.371 3.069 . . . . 0.0 108.36 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.0 m -66.55 -40.34 88.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.429 1.092 . . . . 0.0 110.016 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.19 -65.18 0.71 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.696 0.798 . . . . 0.0 110.168 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.8 59.35 5.34 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.463 1.105 . . . . 0.0 109.623 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -79.64 -51.01 9.8 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.082 0.953 . . . . 0.0 110.157 -178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.42 46.23 0.72 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.64 -37.5 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.64 0.776 . . . . 0.0 111.134 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.49 3.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.503 1.049 . . . . 0.0 111.114 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.89 -177.79 48.16 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.862 0.744 . . . . 0.0 111.781 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.63 -56.1 1.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 124.239 3.293 . . . . 0.0 111.89 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.44 -42.29 13.36 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.354 1.454 . . . . 0.0 112.336 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -79.29 -33.73 43.07 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 117.732 -1.127 . . . . 0.0 112.016 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.29 -29.33 69.8 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 120.157 1.344 . . . . 0.0 109.416 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.23 70.06 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -68.7 -41.8 78.65 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.4 0.545 . . . . 0.0 111.28 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -37.3 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.643 1.577 . . . . 0.0 109.229 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.89 -56.82 9.83 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.22 -41.32 18.1 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.486 1.115 . . . . 0.0 112.036 -177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.4 -43.23 98.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.51 1.124 . . . . 0.0 111.078 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.04 55.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.122 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -84.63 13.48 5.62 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 119.141 0.882 . . . . 0.0 111.922 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 p -118.39 -32.33 4.67 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.755 1.622 . . . . 0.0 106.65 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -79.72 -49.26 12.34 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.79 1.636 . . . . 0.0 111.961 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.47 -48.46 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -54.99 -37.03 66.03 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 129.078 2.951 . . . . 0.0 111.742 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.93 -46.23 65.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.077 0.465 . . . . 0.0 109.932 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 t -58.56 -30.39 67.12 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.334 0.654 . . . . 0.0 109.901 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.75 -28.63 28.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.556 0.743 . . . . 0.0 111.062 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.63 76.94 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.092 0.86 . . . . 0.0 108.732 174.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CG2' HH11 ' A' ' 38' ' ' ARG . 8.9 mt -60.08 -37.87 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.265 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.2 mmm -68.04 -41.64 81.75 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.867 0.867 . . . . 0.0 110.8 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -60.71 -48.97 79.4 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.751 0.82 . . . . 0.0 108.894 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.64 -35.3 72.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.771 2.428 . . . . 0.0 111.212 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.466 HH11 ' CG2' ' A' ' 34' ' ' ILE . 1.1 mpt_? -81.56 46.0 0.93 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.079 2.152 . . . . 0.0 110.603 174.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.17 44.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 C-N-CA 128.265 2.841 . . . . 0.0 109.916 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -55.27 -49.61 71.62 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 123.615 0.766 . . . . 0.0 111.565 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -55.1 -47.75 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.417 1.087 . . . . 0.0 111.554 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -64.28 -47.2 80.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.578 1.151 . . . . 0.0 111.921 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -62.63 -43.05 99.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.268 1.427 . . . . 0.0 110.69 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -53.64 163.79 0.62 Allowed 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 56.82 51.69 10.47 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.72 1.608 . . . . 0.0 110.014 -174.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -96.87 53.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.345 1.858 . . . . 0.0 107.607 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm 71.93 60.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.022 2.129 . . . . 0.0 106.902 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.7 t . . . . . 0 C--O 1.249 1.064 0 C-N-CA 126.172 1.789 . . . . 0.0 106.765 -178.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -117.57 166.39 12.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.742 1.617 . . . . 0.0 108.576 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.23 168.34 0.53 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 125.459 2.552 . . . . 0.0 116.156 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ttt -167.54 31.22 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.609 1 CA-C-N 106.882 -4.69 . . . . 0.0 107.434 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.4 mtm 38.24 38.32 0.21 Allowed 'General case' 0 N--CA 1.434 -1.274 0 C-N-CA 130.207 3.403 . . . . 0.0 107.619 -171.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.5 m -174.38 -48.29 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 111.436 -2.62 . . . . 0.0 106.464 -173.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 -29.17 70.25 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.887 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.3 m -146.21 55.35 1.16 Allowed 'General case' 0 C--N 1.342 0.269 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.97 106.74 1.66 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.817 1.247 . . . . 0.0 110.772 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.27 37.02 93.95 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.332 -0.704 . . . . 0.0 112.792 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.58 -40.1 87.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 117.975 0.887 . . . . 0.0 109.888 174.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.01 -51.05 5.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.27 -168.46 31.43 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.189 0.899 . . . . 0.0 110.929 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -59.08 -49.9 10.04 Favored 'Trans proline' 0 C--N 1.345 0.381 1 C-N-CA 125.756 4.304 . . . . 0.0 110.534 174.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.39 -44.35 28.04 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.781 174.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -32.51 56.91 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.468 0.707 . . . . 0.0 111.528 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -33.1 73.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.576 0.626 . . . . 0.0 109.445 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.1 63.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.466 1.106 . . . . 0.0 110.242 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -67.14 -43.24 82.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 118.681 0.673 . . . . 0.0 110.408 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.37 -42.64 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.756 1.222 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.24 -54.18 49.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.247 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.51 -41.19 60.82 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.825 0.739 . . . . 0.0 111.74 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -62.07 -47.76 83.22 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.975 0.91 . . . . 0.0 110.062 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.06 -37.15 72.51 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.253 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.54 -47.36 84.26 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -57.22 -38.92 74.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.58 0.55 . . . . 0.0 111.242 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -77.59 -38.21 48.78 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.546 0.738 . . . . 0.0 112.41 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' ALA . 55.4 t -71.04 -49.38 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 125.531 1.532 . . . . 0.0 108.065 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -33.44 75.33 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.022 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -66.78 -40.28 88.12 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 t -60.52 -35.08 75.12 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -80.12 -26.59 39.4 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 174.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -35.32 78.1 Favored 'General case' 0 C--O 1.227 -0.128 0 O-C-N 120.642 -1.286 . . . . 0.0 107.719 174.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.63 -37.25 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-O 117.259 -1.353 . . . . 0.0 110.234 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.9 ptp -73.85 -29.4 62.09 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.362 1.437 . . . . 0.0 111.68 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -68.33 -55.17 12.99 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.93 -44.82 20.19 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.635 2.374 . . . . 0.0 110.284 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -70.25 82.02 0.53 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.175 1.39 . . . . 0.0 107.309 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.48 -62.03 0.6 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 126.633 2.064 . . . . 0.0 109.847 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -85.15 24.61 1.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -168.84 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.451 1.1 . . . . 0.0 108.605 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -52.16 -51.23 59.3 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.144 1.778 . . . . 0.0 110.92 -175.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -78.45 -50.36 11.8 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.76 1.224 . . . . 0.0 110.828 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.65 -71.39 0.08 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.347 1.859 . . . . 0.0 113.527 -174.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 48.0 51.74 14.08 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.427 1.091 . . . . 0.0 111.293 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -93.91 51.84 1.58 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.983 2.113 . . . . 0.0 106.859 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mt 62.93 60.28 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.472 1.909 . . . . 0.0 107.748 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.326 -1.321 . . . . 0.0 109.018 -177.897 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.365 0.602 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -82.27 69.76 9.07 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 108.883 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.64 13.23 0.83 Allowed 'General case' 0 C--N 1.34 0.167 0 N-CA-C 117.19 2.293 . . . . 0.0 117.19 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -63.57 -38.95 93.06 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.898 2.079 . . . . 0.0 110.292 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.7 mtt -67.51 -30.03 69.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.406 1.082 . . . . 0.0 111.014 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -73.03 -43.28 62.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.425 0.69 . . . . 0.0 109.445 174.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -69.35 0.3 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.372 1.069 . . . . 0.0 111.703 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.55 59.59 2.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.74 0.816 . . . . 0.0 109.902 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -81.86 70.15 8.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.686 0.794 . . . . 0.0 110.405 -176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.45 -60.39 6.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 109.869 -1.293 . . . . 0.0 109.869 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.324 8.8 p 46.88 43.06 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.937 2.495 . . . . 0.0 111.46 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.79 34.42 4.78 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.613 -2.085 . . . . 0.0 111.564 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 160.88 48.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.66 -75.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.487 2.791 . . . . 0.0 108.641 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 -33.85 1.12 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 127.334 2.397 . . . . 0.0 113.68 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -125.03 -36.3 2.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.605 1.962 . . . . 0.0 108.792 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -61.44 -29.3 69.86 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.69 91.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.32 1.848 . . . . 0.0 109.519 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -71.62 -36.76 70.87 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.811 0.445 . . . . 0.0 111.37 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.69 -44.28 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.097 0.959 . . . . 0.0 109.31 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.15 44.44 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 111.799 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.69 -47.02 85.46 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.906 0.883 . . . . 0.0 110.295 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.58 80.12 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.567 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 mmt -79.04 1.36 24.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.813 1.245 . . . . 0.0 111.741 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -111.19 -12.98 14.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.082 1.353 . . . . 0.0 108.702 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -101.79 -47.59 4.56 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 126.04 1.736 . . . . 0.0 112.244 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.26 -51.79 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 C-N-CA 125.423 1.489 . . . . 0.0 107.186 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -54.43 -34.32 61.16 Favored 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 128.302 2.641 . . . . 0.0 111.51 174.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -44.64 62.62 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.221 0.608 . . . . 0.0 110.281 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 t -59.85 -28.86 67.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.992 0.517 . . . . 0.0 110.014 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 -28.98 25.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.715 0.806 . . . . 0.0 110.873 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.84 75.66 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 119.132 0.878 . . . . 0.0 108.672 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.8 -34.26 58.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.137 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -72.99 -40.85 64.88 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.365 1.066 . . . . 0.0 111.359 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.5 mmm -61.74 -49.64 75.63 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -53.98 -42.21 68.71 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.924 2.09 . . . . 0.0 108.738 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.05 46.54 0.81 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.3 2.24 . . . . 0.0 111.111 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.55 -61.24 0.05 OUTLIER Glycine 0 CA--C 1.526 0.771 0 C-N-CA 130.049 3.69 . . . . 0.0 105.283 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -84.72 61.73 6.93 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -176.29 -51.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 127.507 2.323 . . . . 0.0 106.62 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.64 -45.35 89.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.232 1.813 . . . . 0.0 109.59 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.67 -48.5 69.14 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.934 1.294 . . . . 0.0 110.265 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -57.07 -51.98 67.1 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.677 1.591 . . . . 0.0 112.841 -174.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 59.9 54.63 4.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.736 1.614 . . . . 0.0 109.417 -174.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -112.85 -123.04 0.28 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.777 2.031 . . . . 0.0 106.129 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -58.56 149.23 5.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 C-N-CA 128.306 2.643 . . . . 0.0 109.452 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.098 1.359 . . . . 0.0 109.004 178.783 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.955 -0.069 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -85.81 169.11 13.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.89 166.55 1.91 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 123.91 1.814 . . . . 0.0 114.539 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ttt 70.82 -25.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 109.359 -3.564 . . . . 0.0 111.799 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.4 mtt -66.25 -31.17 71.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.96 1.304 . . . . 0.0 110.676 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -62.73 -38.48 90.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.313 1.045 . . . . 0.0 110.129 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.41 -58.01 3.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.975 0.91 . . . . 0.0 110.154 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.9 m -83.09 59.25 4.84 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 125.366 1.466 . . . . 0.0 109.157 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -83.7 72.43 10.34 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.536 -174.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.87 43.68 93.38 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.66 -45.71 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.397 0.679 . . . . 0.0 110.215 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.95 23.82 32.42 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.148 1.833 . . . . 0.0 115.25 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 -141.23 9.08 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.737 1.16 . . . . 0.0 114.228 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.84 -45.39 2.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.202 3.268 . . . . 0.0 111.621 -175.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.11 -46.92 20.84 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 125.682 1.611 . . . . 0.0 111.931 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -77.66 -30.49 52.13 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.892 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -37.88 83.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.03 70.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.924 1.29 . . . . 0.0 110.61 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -69.34 -39.64 78.02 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.463 0.574 . . . . 0.0 110.694 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.36 -43.16 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.877 0.871 . . . . 0.0 109.454 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.21 -53.05 62.67 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.519 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.75 61.05 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.114 0.87 . . . . 0.0 111.937 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.33 -47.25 82.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.875 0.87 . . . . 0.0 110.023 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -70.84 -38.65 73.22 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.183 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 75.2 mmm -63.28 -55.54 23.89 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -51.64 -37.01 48.43 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.061 0.851 . . . . 0.0 112.055 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.27 -44.95 62.04 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.7 1.2 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' ALA . 52.9 t -67.96 -48.85 73.21 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 125.204 1.402 . . . . 0.0 107.896 -175.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 99.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.423 -1.801 0 C-N-CA 128.513 2.725 . . . . 0.0 110.925 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -45.27 71.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.241 0.473 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 t -59.38 -31.27 69.07 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.218 0.607 . . . . 0.0 109.758 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.47 -27.47 31.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.365 0.666 . . . . 0.0 111.122 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -31.93 73.22 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.15 -34.04 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.67 -43.01 66.77 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.624 1.17 . . . . 0.0 110.688 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -37.04 80.84 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -178.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.23 -35.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 128.29 2.636 . . . . 0.0 109.945 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 102.47 0.62 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.11 43.74 31.88 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.914 -1.275 . . . . 0.0 109.914 -174.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -32.0 -69.01 0.08 Allowed 'General case' 0 C--N 1.346 0.439 0 C-N-CA 127.132 2.173 . . . . 0.0 113.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -51.37 -44.38 62.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.68 1.192 . . . . 0.0 112.882 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -56.91 -44.25 82.19 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.351 1.06 . . . . 0.0 111.359 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -68.94 -45.15 71.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.42 1.088 . . . . 0.0 110.288 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -55.42 -53.45 56.11 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.734 1.214 . . . . 0.0 110.199 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -53.47 -56.53 16.16 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.793 1.637 . . . . 0.0 110.87 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -106.19 53.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.088 1.355 . . . . 0.0 109.701 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.2 tp -66.35 143.94 15.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.385 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.93 -1.509 . . . . 0.0 110.798 -179.069 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -77.18 59.53 1.76 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.571 1.548 . . . . 0.0 111.621 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -18.14 107.64 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.52 3.128 . . . . 0.0 116.944 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.24 -48.15 2.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.142 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -59.53 -38.23 80.47 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.97 1.308 . . . . 0.0 109.942 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 m -69.52 -37.39 77.13 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 123.402 0.439 . . . . 0.0 110.745 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.72 91.9 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.976 0.511 . . . . 0.0 110.812 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.89 56.86 0.73 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.375 1.07 . . . . 0.0 110.256 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 123.9 16.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 109.977 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.28 61.81 4.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -174.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -68.78 -34.26 63.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 111.077 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.08 -75.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.34 164.42 28.09 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.294 0.473 . . . . 0.0 111.992 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.85 -75.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.438 2.759 . . . . 0.0 108.173 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.97 -47.5 2.24 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 129.686 3.517 . . . . 0.0 113.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -115.05 -35.63 4.67 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 128.185 2.594 . . . . 0.0 107.412 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.97 -23.72 66.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.35 76.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.781 1.633 . . . . 0.0 108.802 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -67.85 -43.61 79.1 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 122.942 0.497 . . . . 0.0 111.098 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.52 -42.72 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 124.628 1.171 . . . . 0.0 108.951 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.0 -58.68 7.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.94 -38.18 16.08 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.501 1.12 . . . . 0.0 112.28 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.26 -46.16 81.63 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.903 0.881 . . . . 0.0 110.781 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.46 63.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.171 0.988 . . . . 0.0 112.452 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -84.24 13.22 5.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.92 0.782 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -115.04 -37.17 4.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 106.435 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -78.23 -49.05 14.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.105 1.762 . . . . 0.0 111.633 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.32 -47.85 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -55.44 -36.4 66.49 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 128.51 2.724 . . . . 0.0 111.62 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.13 -46.32 65.03 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.131 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.1 m -58.53 -31.89 68.36 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.522 0.729 . . . . 0.0 109.83 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.24 -27.36 35.26 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.191 0.596 . . . . 0.0 110.691 174.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -31.11 71.61 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.22 -33.83 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mmm -72.56 -45.38 59.51 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.883 1.273 . . . . 0.0 110.781 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -35.27 79.99 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -68.89 -39.8 79.53 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 126.897 2.079 . . . . 0.0 109.154 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 100.13 0.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 174.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.12 -60.55 0.66 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 107.111 -2.395 . . . . 0.0 107.111 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -81.46 59.12 3.92 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.841 1.256 . . . . 0.0 109.001 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -168.63 -52.9 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 126.089 1.756 . . . . 0.0 107.022 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.2 -47.4 79.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.118 1.367 . . . . 0.0 108.785 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.38 -45.95 92.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.854 1.262 . . . . 0.0 109.221 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -66.86 -178.09 0.7 Allowed 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.117 1.367 . . . . 0.0 111.153 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 51.18 50.83 18.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.402 1.081 . . . . 0.0 109.96 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.259 0.4 OUTLIER -102.62 -122.0 0.18 Allowed 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -175.269 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.1 mt -82.77 63.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.168 1.787 . . . . 0.0 107.263 -174.692 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.588 -0.152 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -79.57 66.55 5.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.804 1.241 . . . . 0.0 109.426 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.58 12.51 1.0 Allowed 'General case' 0 C--N 1.339 0.147 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -174.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.9 mtp -67.21 -52.12 44.95 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 127.541 2.337 . . . . 0.0 108.297 174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.43 -37.46 83.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.845 1.258 . . . . 0.0 110.371 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.5 m -66.23 -35.58 80.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.936 0.894 . . . . 0.0 110.488 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.83 -72.54 0.29 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.587 0.755 . . . . 0.0 110.796 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -90.6 65.87 6.09 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.641 1.176 . . . . 0.0 109.865 -176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -56.88 115.04 2.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 110.06 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.94 53.63 22.03 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.23 -38.15 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.282 0.633 . . . . 0.0 110.305 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.05 40.56 2.42 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 174.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.97 161.18 54.24 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.72 -75.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.551 2.834 . . . . 0.0 108.799 174.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.7 -44.76 2.79 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 127.792 2.615 . . . . 0.0 111.693 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -111.18 -36.54 5.58 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 125.645 1.578 . . . . 0.0 109.598 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.2 tttt -61.36 -26.06 67.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 108.57 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.44 74.42 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.216 1.406 . . . . 0.0 108.799 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -68.66 -44.76 73.43 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.277 0.631 . . . . 0.0 111.249 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.29 -38.45 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.233 1.813 . . . . 0.0 109.309 -174.816 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.01 -51.77 50.81 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -38.72 57.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.204 0.911 . . . . 0.0 111.927 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.03 -45.1 86.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.491 1.116 . . . . 0.0 110.656 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -72.18 -38.94 68.98 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.13 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.0 mmm -63.03 -54.88 31.32 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -50.59 -37.88 42.49 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.791 0.682 . . . . 0.0 111.708 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -72.96 -43.28 62.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.03 1.332 . . . . 0.0 112.138 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.6 t -68.74 -50.42 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 C-N-CA 125.222 1.409 . . . . 0.0 107.688 -174.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 88.0 m -56.12 -36.56 68.35 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 128.267 2.627 . . . . 0.0 111.094 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -41.31 71.92 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.027 0.531 . . . . 0.0 110.63 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 t -61.35 -36.41 80.1 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.15 63.64 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.896 0.478 . . . . 0.0 110.423 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.05 74.91 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 118.769 0.713 . . . . 0.0 109.345 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 mt -64.41 -39.93 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 118.293 -0.861 . . . . 0.0 108.742 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.42 64.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.529 0.604 . . . . 0.0 111.197 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -71.14 -43.72 67.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.34 -38.0 79.25 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.239 2.215 . . . . 0.0 109.811 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.24 79.57 1.31 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.49 -63.74 0.5 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 127.164 2.316 . . . . 0.0 107.921 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -78.89 60.19 2.8 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.206 1.002 . . . . 0.0 110.346 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -171.65 -50.35 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.707 2.003 . . . . 0.0 107.292 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -51.54 46.61 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.785 1.234 . . . . 0.0 110.589 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.37 -47.74 78.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.264 1.026 . . . . 0.0 109.061 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.33 -44.93 65.4 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 126.072 1.749 . . . . 0.0 110.079 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 73.91 67.51 0.1 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 128.133 2.573 . . . . 0.0 108.799 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -90.21 53.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.984 1.714 . . . . 0.0 108.041 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mp 73.51 85.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 128.382 2.673 . . . . 0.0 109.009 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.003 1.721 . . . . 0.0 108.625 174.682 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.431 0.634 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -79.78 72.34 6.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.086 1.355 . . . . 0.0 108.999 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.12 12.26 0.58 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -174.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.4 tpp -105.56 -48.7 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 128.027 2.531 . . . . 0.0 108.983 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.91 -39.75 90.84 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.533 1.133 . . . . 0.0 110.22 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.7 m -65.91 -41.9 90.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.819 0.847 . . . . 0.0 109.929 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.28 -53.79 38.85 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.745 0.818 . . . . 0.0 110.547 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -82.61 60.91 5.46 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.979 1.311 . . . . 0.0 108.61 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -61.5 -45.91 92.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.793 1.237 . . . . 0.0 111.686 -174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.13 42.98 96.24 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.958 0.79 . . . . 0.0 111.217 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.53 -34.49 70.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.796 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.93 99.7 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.41 -163.0 36.12 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.639 0.638 . . . . 0.0 112.691 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.99 -47.31 28.26 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 125.296 3.997 . . . . 0.0 111.333 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.24 48.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.757 -1.565 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -82.47 -30.04 30.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.201 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 7.8 mtpm? -61.66 -26.33 67.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.282 0.946 . . . . 0.0 110.172 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -42.72 66.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -69.46 -39.59 77.66 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.261 0.224 . . . . 0.0 111.365 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.88 -36.61 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.413 1.485 . . . . 0.0 109.64 -174.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.04 -54.58 20.27 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -40.05 40.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.63 0.772 . . . . 0.0 111.926 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -62.53 -46.03 90.26 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.269 1.028 . . . . 0.0 110.515 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.62 71.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.959 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.91 1.87 25.56 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.194 1.398 . . . . 0.0 111.382 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -109.24 -18.58 13.57 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.784 1.634 . . . . 0.0 107.993 173.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -97.93 -44.49 6.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.903 1.681 . . . . 0.0 112.261 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.2 -46.54 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -57.71 -38.99 76.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.65 1.18 . . . . 0.0 111.765 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.12 -41.17 90.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.297 0.639 . . . . 0.0 110.31 175.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.87 -29.55 70.27 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.85 -29.28 27.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.009 0.924 . . . . 0.0 111.34 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.22 77.35 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -60.56 -37.74 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.238 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.12 -43.23 87.75 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.793 0.837 . . . . 0.0 110.636 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.2 -51.45 68.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.21 -28.57 62.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.638 2.375 . . . . 0.0 111.981 174.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.2 41.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.615 1.566 . . . . 0.0 112.65 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.65 -61.26 0.11 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 127.809 2.623 . . . . 0.0 108.717 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -83.98 41.61 0.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.123 0.969 . . . . 0.0 112.022 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -175.91 -55.25 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 127.039 2.135 . . . . 0.0 106.897 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -49.71 -61.73 1.96 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.681 1.592 . . . . 0.0 111.589 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -71.39 -39.71 71.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.739 0.816 . . . . 0.0 110.55 -176.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -52.47 -55.11 24.15 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.552 1.541 . . . . 0.0 111.871 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 60.61 51.03 5.25 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.621 1.569 . . . . 0.0 108.722 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 82.5 tttt -101.16 -116.57 0.17 Allowed 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.098 2.159 . . . . 0.0 106.724 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 pt -57.24 159.62 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 128.147 2.579 . . . . 0.0 111.055 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 125.113 1.365 . . . . 0.0 110.101 176.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.51 78.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.435 1.494 . . . . 0.0 108.627 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -72.1 -35.13 69.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.928 0.491 . . . . 0.0 111.591 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.92 -43.82 96.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 123.47 0.708 . . . . 0.0 109.144 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.93 -57.81 11.4 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.93 -40.21 13.79 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.201 1.0 . . . . 0.0 112.081 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.42 -46.77 84.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.667 0.787 . . . . 0.0 110.822 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.18 -39.91 65.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.293 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.4 -34.34 70.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 119.143 0.883 . . . . 0.0 108.878 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.4 t -61.59 -38.9 89.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -77.43 -39.64 46.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.57 1.148 . . . . 0.0 112.244 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.3 -49.39 54.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 C-N-CA 124.998 1.319 . . . . 0.0 108.243 -176.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -35.29 78.43 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.172 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -64.33 -42.13 96.43 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.236 -0.654 . . . . 0.0 109.236 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 t -61.26 -35.72 78.04 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.49 60.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.3 0.24 . . . . 0.0 110.775 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -34.28 77.4 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -63.47 -32.39 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.375 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.14 -42.47 69.14 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.046 0.939 . . . . 0.0 111.258 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mmt -61.08 -51.01 70.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 N--CA 1.442 -0.844 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 174.428 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.98 -44.11 66.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.502 1.121 . . . . 0.0 108.834 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -69.54 -38.94 77.69 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 111.323 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -37.9 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.7 1.6 . . . . 0.0 109.205 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.6 -57.26 9.58 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.83 13.21 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.179 0.992 . . . . 0.0 112.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.74 -46.97 82.98 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.674 0.79 . . . . 0.0 110.974 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.24 -38.78 65.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.575 -174.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.46 -34.75 70.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.17 0.895 . . . . 0.0 108.843 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -38.86 89.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -77.68 -40.13 42.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.525 1.13 . . . . 0.0 112.028 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.4 t -70.26 -49.02 57.63 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 124.707 1.203 . . . . 0.0 108.237 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -35.1 78.61 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.888 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -63.4 -42.85 98.78 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.6 m -61.63 -30.49 70.74 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.13 -28.79 27.22 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.588 0.755 . . . . 0.0 111.344 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.11 77.11 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.14 -35.85 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.219 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -68.85 -44.18 73.91 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.594 1.158 . . . . 0.0 110.964 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -61.64 -51.35 68.86 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.443 -0.804 0 C-N-CA 127.19 2.196 . . . . 0.0 111.801 174.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp . . . . . 0 CA--C 1.536 0.41 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.01 -34.39 64.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.5 1.52 . . . . 0.0 110.274 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -66.28 -45.19 81.29 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 118.494 0.588 . . . . 0.0 110.613 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.02 -43.32 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.909 1.284 . . . . 0.0 109.06 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.12 -54.46 46.77 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.587 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -37.22 54.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.684 0.794 . . . . 0.0 112.111 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -63.56 -48.4 77.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.807 0.843 . . . . 0.0 109.615 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 -34.52 72.55 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.095 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -78.96 6.07 10.14 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.45 1.1 . . . . 0.0 111.505 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -108.19 -37.9 5.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 172.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -78.37 -46.36 20.19 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.59 -47.33 65.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.297 17.8 m -55.75 -36.13 66.94 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 127.094 2.157 . . . . 0.0 110.52 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.8 -46.63 65.3 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 p -57.85 -36.28 72.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.625 0.77 . . . . 0.0 109.415 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.01 -34.02 66.13 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.641 0.777 . . . . 0.0 110.111 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -34.53 78.67 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.779 0.718 . . . . 0.0 109.605 174.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.83 -36.46 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.4 63.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.009 0.822 . . . . 0.0 111.667 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -37.22 74.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 N--CA 1.444 -0.74 0 C-N-CA 128.016 2.526 . . . . 0.0 108.376 174.321 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.49 73.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.456 1.103 . . . . 0.0 110.694 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -69.2 -39.52 78.59 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.795 0.725 . . . . 0.0 110.667 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.47 -42.26 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.001 0.92 . . . . 0.0 109.378 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.13 -50.86 71.51 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 118.318 -0.849 . . . . 0.0 108.935 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.54 62.78 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.1 0.864 . . . . 0.0 111.776 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -63.05 -51.77 65.38 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.665 0.786 . . . . 0.0 109.505 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -68.26 -38.04 81.35 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.963 -174.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.25 -56.92 13.79 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -46.41 -43.1 16.05 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.998 0.811 . . . . 0.0 111.768 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.83 -41.8 61.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.379 1.472 . . . . 0.0 111.933 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.26 -51.28 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 C-N-CA 125.135 1.374 . . . . 0.0 107.496 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 87.9 m -56.4 -35.21 67.51 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 128.007 2.523 . . . . 0.0 111.209 174.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -45.71 69.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.443 0.565 . . . . 0.0 109.65 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -60.6 -23.49 64.75 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.359 0.664 . . . . 0.0 110.638 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.15 17.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.808 0.843 . . . . 0.0 110.313 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -33.8 74.92 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mm -58.07 -40.27 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.112 0.965 . . . . 0.0 108.657 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 mmt -70.81 -40.77 72.28 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.676 1.19 . . . . 0.0 110.925 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.05 -50.49 71.79 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 N--CA 1.443 -0.82 0 C-N-CA 126.919 2.088 . . . . 0.0 109.908 174.73 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.15 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.741 1.216 . . . . 0.0 110.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm105 -67.75 -41.67 82.99 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.723 0.692 . . . . 0.0 110.437 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.0 -40.99 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.166 0.986 . . . . 0.0 109.673 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.26 -52.45 64.68 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.147 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.26 -37.56 55.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.611 0.764 . . . . 0.0 111.994 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -63.2 -47.63 81.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.893 0.877 . . . . 0.0 110.019 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -34.6 71.92 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.301 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mmm -78.19 4.24 13.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.464 1.106 . . . . 0.0 111.515 175.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 t -106.44 -35.41 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -83.33 -44.86 14.42 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.152 1.781 . . . . 0.0 112.669 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.91 -50.26 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.283 10.3 m -55.97 -34.91 66.16 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 128.898 2.879 . . . . 0.0 111.432 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.95 -40.89 71.75 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.144 0.429 . . . . 0.0 110.216 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.21 -38.29 82.89 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.99 69.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.129 0.572 . . . . 0.0 110.726 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -34.17 77.37 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 121.331 -0.855 . . . . 0.0 110.074 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mm -72.95 -7.85 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 C-N-CA 123.445 0.698 . . . . 0.0 110.262 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -29.11 11.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 ptm -76.46 -40.67 49.77 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 N--CA 1.445 -0.682 0 C-N-CA 128.068 2.547 . . . . 0.0 107.994 174.108 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 103.057 -2.942 . . . . 0.0 103.057 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.79 84.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.262 1.425 . . . . 0.0 107.647 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -74.42 -38.97 62.9 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 117.966 0.348 . . . . 0.0 110.145 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.81 -42.95 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.662 0.785 . . . . 0.0 108.992 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.71 -55.05 37.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.29 -39.69 46.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.623 0.769 . . . . 0.0 112.062 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.11 -46.64 86.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.223 1.009 . . . . 0.0 109.93 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.41 73.21 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.114 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -79.53 6.39 10.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.713 1.205 . . . . 0.0 111.807 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -109.13 -35.67 6.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -82.15 -45.98 14.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.065 1.746 . . . . 0.0 112.202 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.81 -49.55 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.288 12.2 m -56.52 -33.56 66.17 Favored 'General case' 0 N--CA 1.42 -1.946 0 C-N-CA 128.873 2.869 . . . . 0.0 111.676 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -71.14 -41.66 70.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 118.382 0.537 . . . . 0.0 109.801 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.54 -37.88 82.64 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -26.87 61.76 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.17 0.188 . . . . 0.0 110.847 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -31.45 71.36 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.69 -30.11 49.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.5 -43.57 59.8 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.127 0.971 . . . . 0.0 110.974 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -37.47 86.41 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 N--CA 1.441 -0.902 0 C-N-CA 127.625 2.37 . . . . 0.0 108.322 174.258 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 20' ' ' VAL . 30.6 ttmt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.57 73.53 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -69.67 -41.83 74.95 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 118.271 0.487 . . . . 0.0 111.064 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.06 -37.66 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.801 1.241 . . . . 0.0 109.342 -175.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.8 -53.09 44.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.95 -37.88 47.18 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.34 0.656 . . . . 0.0 112.202 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.8 -49.42 75.03 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.737 0.815 . . . . 0.0 110.002 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.0 79.53 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.685 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.0 mmt -80.5 1.02 31.12 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.407 1.083 . . . . 0.0 111.876 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.1 p -115.63 -7.62 12.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.292 1.037 . . . . 0.0 109.147 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -101.18 -48.04 4.53 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.174 1.789 . . . . 0.0 112.234 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.6 t -68.69 -51.36 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 C-N-CA 125.158 1.383 . . . . 0.0 107.413 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.264 5.5 m -56.94 -29.4 63.1 Favored 'General case' 0 N--CA 1.42 -1.947 0 C-N-CA 128.009 2.524 . . . . 0.0 111.874 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -42.63 48.5 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.271 0.628 . . . . 0.0 110.269 174.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 t -58.76 -36.04 73.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 174.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -32.0 72.95 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 120.573 -1.33 . . . . 0.0 107.43 173.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 mt -66.26 -38.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.017 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.4 ptp -74.73 -30.3 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.833 1.197 . . . . 0.0 111.179 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -38.14 69.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.42 0.554 . . . . 0.0 109.963 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 N--CA 1.446 -0.658 0 C-N-CA 128.118 2.567 . . . . 0.0 109.499 174.751 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -39.95 69.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.94 -43.35 79.29 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.482 0.583 . . . . 0.0 111.143 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -38.38 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.613 1.565 . . . . 0.0 109.589 -174.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 tp -66.82 -54.25 24.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.85 -39.13 52.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.9 -43.68 87.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.213 1.005 . . . . 0.0 110.385 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.56 75.64 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.696 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.4 mmt -76.56 1.99 15.19 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.905 1.682 . . . . 0.0 111.226 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 t -107.07 -23.75 12.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.138 1.375 . . . . 0.0 107.92 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -95.34 -41.88 8.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.935 1.694 . . . . 0.0 112.878 -176.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.4 -44.8 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 124.938 1.295 . . . . 0.0 108.294 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.321 32.5 p -58.81 -35.51 72.98 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 127.153 2.181 . . . . 0.0 110.025 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.33 -41.65 66.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.681 0.792 . . . . 0.0 110.137 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -61.72 -29.96 70.45 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.37 -30.49 27.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.79 1.236 . . . . 0.0 111.155 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -34.75 78.02 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.96 -35.25 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.358 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.23 -42.03 80.37 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.139 0.881 . . . . 0.0 110.861 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 mmt -60.83 -51.07 70.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 N--CA 1.449 -0.508 0 C-N-CA 129.376 3.07 . . . . 0.0 113.052 174.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' HG12 ' A' ' 20' ' ' VAL . 56.9 mttt . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.6 -40.44 66.54 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 174.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -68.21 -44.45 75.75 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 111.271 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.75 -37.78 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.217 1.807 . . . . 0.0 109.382 -174.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.34 -51.34 53.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.11 60.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.225 0.92 . . . . 0.0 111.765 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.59 -49.08 76.64 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.099 0.96 . . . . 0.0 110.038 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.16 -36.36 71.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.194 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.5 mmm -61.83 -56.13 22.67 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -47.8 -41.78 24.4 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 124.2 0.938 . . . . 0.0 112.124 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -71.13 -45.32 63.83 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 111.571 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 24' ' ' ALA . 59.9 t -67.41 -48.48 77.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 C-N-CA 125.135 1.374 . . . . 0.0 108.006 -174.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.276 99.8 m -58.14 -35.72 71.93 Favored 'General case' 0 N--CA 1.423 -1.799 0 C-N-CA 128.389 2.676 . . . . 0.0 111.143 174.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -45.2 67.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.164 0.586 . . . . 0.0 110.166 174.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.19 -27.81 67.44 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.463 0.705 . . . . 0.0 110.141 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.18 -27.72 22.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.977 0.911 . . . . 0.0 111.144 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.22 75.48 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 174.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.81 -41.38 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.33 -41.56 93.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -41.27 90.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 N--CA 1.443 -0.805 0 C-N-CA 127.842 2.457 . . . . 0.0 111.769 -179.086 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -36.45 65.36 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.183 1.393 . . . . 0.0 110.386 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -70.16 -37.43 75.2 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.544 0.611 . . . . 0.0 111.05 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.13 -43.46 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.978 1.311 . . . . 0.0 109.464 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.11 -53.09 61.9 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.637 -0.696 . . . . 0.0 109.425 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.15 51.87 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.066 0.946 . . . . 0.0 112.052 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.59 -47.06 83.0 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.689 0.796 . . . . 0.0 110.018 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.43 76.12 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.071 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 mmt -77.78 3.6 13.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.814 1.246 . . . . 0.0 111.667 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -104.35 -38.55 6.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 173.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -79.09 -47.47 16.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.713 2.005 . . . . 0.0 112.425 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.04 -49.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.281 9.1 m -55.07 -36.8 66.0 Favored 'General case' 0 N--CA 1.42 -1.928 0 C-N-CA 128.939 2.896 . . . . 0.0 111.515 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -45.55 67.3 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 122.926 0.49 . . . . 0.0 110.059 174.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 t -58.95 -32.05 69.26 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 123.162 0.585 . . . . 0.0 109.719 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.27 34.2 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.561 0.745 . . . . 0.0 111.106 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -31.46 72.06 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.9 mm -62.38 -33.42 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.2 mmm -70.89 -48.02 56.04 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.383 1.073 . . . . 0.0 110.469 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.52 76.13 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.914 0.486 . . . . 0.0 109.832 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.442 -0.871 0 C-N-CA 127.588 2.355 . . . . 0.0 110.183 174.695 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.21 65.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.264 1.025 . . . . 0.0 108.925 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -69.05 -40.43 78.55 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 117.911 0.323 . . . . 0.0 111.315 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -38.31 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 125.769 1.627 . . . . 0.0 108.901 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.28 -58.25 7.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.63 15.37 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 124.135 0.974 . . . . 0.0 111.971 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.775 0.83 . . . . 0.0 111.047 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -75.22 -39.0 60.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.589 -175.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -72.27 -36.3 68.96 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.424 1.011 . . . . 0.0 109.065 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.6 p -64.45 -31.03 72.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.182 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -80.69 -39.92 26.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.098 0.959 . . . . 0.0 112.565 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ALA . 53.6 t -69.87 -48.61 62.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 C-N-CA 125.013 1.325 . . . . 0.0 108.075 -176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -35.77 78.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 174.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -65.42 -39.77 92.54 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 t -61.84 -34.95 76.89 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.38 -27.5 41.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.405 0.682 . . . . 0.0 111.595 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -33.27 75.37 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mt -61.46 -38.05 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.0 mmm -65.14 -44.11 89.68 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 118.85 0.75 . . . . 0.0 109.765 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -66.6 -36.17 81.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.391 0.432 . . . . 0.0 109.867 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 N--CA 1.442 -0.831 0 C-N-CA 127.648 2.379 . . . . 0.0 111.226 178.02 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 103.373 -2.825 . . . . 0.0 103.373 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.41 82.21 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.666 1.587 . . . . 0.0 107.655 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.71 -43.25 69.34 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 121.153 0.501 . . . . 0.0 110.427 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.85 -41.64 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.279 1.032 . . . . 0.0 109.216 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.5 -53.64 51.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.71 51.03 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.844 0.747 . . . . 0.0 111.803 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.06 -47.29 80.72 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.481 1.113 . . . . 0.0 110.428 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.73 77.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.889 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.6 mmm -77.1 -2.73 35.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.619 1.167 . . . . 0.0 111.531 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.2 m -103.38 -19.18 14.53 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -96.98 -49.26 5.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.812 1.645 . . . . 0.0 112.715 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.85 -49.36 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 125.621 1.568 . . . . 0.0 107.831 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 14.1 m -55.97 -33.16 64.54 Favored 'General case' 0 N--CA 1.42 -1.93 0 C-N-CA 127.959 2.504 . . . . 0.0 111.451 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -43.05 59.76 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.778 0.831 . . . . 0.0 110.605 174.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -59.24 -34.47 72.24 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.01 -28.83 39.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.831 0.852 . . . . 0.0 111.739 174.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -33.41 75.9 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.88 -36.05 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 117.931 -1.033 . . . . 0.0 108.276 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.01 -43.32 88.03 Favored 'General case' 0 C--N 1.337 0.033 0 CA-C-N 119.441 1.019 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -32.12 73.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.207 0.603 . . . . 0.0 110.383 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.445 -0.723 0 C-N-CA 127.788 2.435 . . . . 0.0 111.949 -179.695 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.23 70.06 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -68.7 -41.8 78.65 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.4 0.545 . . . . 0.0 111.28 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -37.3 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.643 1.577 . . . . 0.0 109.229 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.89 -56.82 9.83 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.22 -41.32 18.1 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.486 1.115 . . . . 0.0 112.036 -177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.4 -43.23 98.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.51 1.124 . . . . 0.0 111.078 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.04 55.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.122 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -84.63 13.48 5.62 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 119.141 0.882 . . . . 0.0 111.922 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 p -118.39 -32.33 4.67 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.755 1.622 . . . . 0.0 106.65 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -79.72 -49.26 12.34 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.79 1.636 . . . . 0.0 111.961 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.47 -48.46 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -54.99 -37.03 66.03 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 129.078 2.951 . . . . 0.0 111.742 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.93 -46.23 65.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.077 0.465 . . . . 0.0 109.932 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 t -58.56 -30.39 67.12 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.334 0.654 . . . . 0.0 109.901 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.75 -28.63 28.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.556 0.743 . . . . 0.0 111.062 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.63 76.94 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.092 0.86 . . . . 0.0 108.732 174.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.08 -37.87 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.265 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.2 mmm -68.04 -41.64 81.75 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.867 0.867 . . . . 0.0 110.8 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -60.71 -48.97 79.4 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.751 0.82 . . . . 0.0 108.894 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 N--CA 1.445 -0.679 0 C-N-CA 127.771 2.428 . . . . 0.0 111.212 174.784 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.1 63.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.466 1.106 . . . . 0.0 110.242 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -67.14 -43.24 82.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 118.681 0.673 . . . . 0.0 110.408 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.37 -42.64 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.756 1.222 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.24 -54.18 49.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.247 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.51 -41.19 60.82 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.825 0.739 . . . . 0.0 111.74 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -62.07 -47.76 83.22 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.975 0.91 . . . . 0.0 110.062 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.06 -37.15 72.51 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.253 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.54 -47.36 84.26 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -57.22 -38.92 74.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.58 0.55 . . . . 0.0 111.242 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -77.59 -38.21 48.78 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.546 0.738 . . . . 0.0 112.41 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' ALA . 55.4 t -71.04 -49.38 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 125.531 1.532 . . . . 0.0 108.065 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -33.44 75.33 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.022 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -66.78 -40.28 88.12 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 t -60.52 -35.08 75.12 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -80.12 -26.59 39.4 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 174.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -35.32 78.1 Favored 'General case' 0 C--O 1.227 -0.128 0 O-C-N 120.642 -1.286 . . . . 0.0 107.719 174.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.63 -37.25 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-O 117.259 -1.353 . . . . 0.0 110.234 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.9 ptp -73.85 -29.4 62.09 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.362 1.437 . . . . 0.0 111.68 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -68.33 -55.17 12.99 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 N--CA 1.444 -0.746 0 C-N-CA 127.635 2.374 . . . . 0.0 110.284 174.648 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.69 91.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.32 1.848 . . . . 0.0 109.519 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -71.62 -36.76 70.87 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.811 0.445 . . . . 0.0 111.37 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.69 -44.28 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.097 0.959 . . . . 0.0 109.31 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.15 44.44 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 111.799 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.69 -47.02 85.46 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.906 0.883 . . . . 0.0 110.295 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.58 80.12 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.567 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 mmt -79.04 1.36 24.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.813 1.245 . . . . 0.0 111.741 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -111.19 -12.98 14.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.082 1.353 . . . . 0.0 108.702 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -101.79 -47.59 4.56 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 126.04 1.736 . . . . 0.0 112.244 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.26 -51.79 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 C-N-CA 125.423 1.489 . . . . 0.0 107.186 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -54.43 -34.32 61.16 Favored 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 128.302 2.641 . . . . 0.0 111.51 174.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -44.64 62.62 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.221 0.608 . . . . 0.0 110.281 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 t -59.85 -28.86 67.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.992 0.517 . . . . 0.0 110.014 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 -28.98 25.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.715 0.806 . . . . 0.0 110.873 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.84 75.66 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 119.132 0.878 . . . . 0.0 108.672 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.8 -34.26 58.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.137 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -72.99 -40.85 64.88 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.365 1.066 . . . . 0.0 111.359 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.5 mmm -61.74 -49.64 75.63 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.44 -0.935 0 C-N-CA 126.924 2.09 . . . . 0.0 108.738 174.326 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.03 70.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.924 1.29 . . . . 0.0 110.61 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -69.34 -39.64 78.02 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.463 0.574 . . . . 0.0 110.694 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.36 -43.16 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.877 0.871 . . . . 0.0 109.454 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.21 -53.05 62.67 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.519 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.75 61.05 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.114 0.87 . . . . 0.0 111.937 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.33 -47.25 82.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.875 0.87 . . . . 0.0 110.023 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -70.84 -38.65 73.22 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.183 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 75.2 mmm -63.28 -55.54 23.89 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -51.64 -37.01 48.43 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.061 0.851 . . . . 0.0 112.055 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.27 -44.95 62.04 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.7 1.2 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' ALA . 52.9 t -67.96 -48.85 73.21 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 125.204 1.402 . . . . 0.0 107.896 -175.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 99.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.423 -1.801 0 C-N-CA 128.513 2.725 . . . . 0.0 110.925 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -45.27 71.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.241 0.473 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 t -59.38 -31.27 69.07 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.218 0.607 . . . . 0.0 109.758 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.47 -27.47 31.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.365 0.666 . . . . 0.0 111.122 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -31.93 73.22 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.15 -34.04 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.67 -43.01 66.77 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.624 1.17 . . . . 0.0 110.688 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -37.04 80.84 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -178.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 N--CA 1.445 -0.68 0 C-N-CA 128.29 2.636 . . . . 0.0 109.945 174.671 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.35 76.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.781 1.633 . . . . 0.0 108.802 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -67.85 -43.61 79.1 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 122.942 0.497 . . . . 0.0 111.098 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.52 -42.72 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 124.628 1.171 . . . . 0.0 108.951 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.0 -58.68 7.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.94 -38.18 16.08 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.501 1.12 . . . . 0.0 112.28 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.26 -46.16 81.63 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.903 0.881 . . . . 0.0 110.781 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.46 63.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.171 0.988 . . . . 0.0 112.452 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -84.24 13.22 5.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.92 0.782 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -115.04 -37.17 4.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 106.435 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -78.23 -49.05 14.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.105 1.762 . . . . 0.0 111.633 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.32 -47.85 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -55.44 -36.4 66.49 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 128.51 2.724 . . . . 0.0 111.62 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.13 -46.32 65.03 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.131 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.1 m -58.53 -31.89 68.36 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.522 0.729 . . . . 0.0 109.83 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.24 -27.36 35.26 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.191 0.596 . . . . 0.0 110.691 174.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -31.11 71.61 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.22 -33.83 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mmm -72.56 -45.38 59.51 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.883 1.273 . . . . 0.0 110.781 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -35.27 79.99 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 N--CA 1.438 -1.05 0 C-N-CA 126.897 2.079 . . . . 0.0 109.154 174.589 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.2 tttt . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.44 74.42 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.216 1.406 . . . . 0.0 108.799 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -68.66 -44.76 73.43 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.277 0.631 . . . . 0.0 111.249 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.29 -38.45 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.233 1.813 . . . . 0.0 109.309 -174.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.01 -51.77 50.81 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -38.72 57.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.204 0.911 . . . . 0.0 111.927 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.03 -45.1 86.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.491 1.116 . . . . 0.0 110.656 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -72.18 -38.94 68.98 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.13 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.0 mmm -63.03 -54.88 31.32 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -50.59 -37.88 42.49 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.791 0.682 . . . . 0.0 111.708 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -72.96 -43.28 62.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.03 1.332 . . . . 0.0 112.138 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.6 t -68.74 -50.42 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 C-N-CA 125.222 1.409 . . . . 0.0 107.688 -174.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 88.0 m -56.12 -36.56 68.35 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 128.267 2.627 . . . . 0.0 111.094 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -41.31 71.92 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.027 0.531 . . . . 0.0 110.63 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 t -61.35 -36.41 80.1 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.15 63.64 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.896 0.478 . . . . 0.0 110.423 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.05 74.91 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 118.769 0.713 . . . . 0.0 109.345 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 mt -64.41 -39.93 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 118.293 -0.861 . . . . 0.0 108.742 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.42 64.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.529 0.604 . . . . 0.0 111.197 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -71.14 -43.72 67.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.443 -0.815 0 C-N-CA 127.239 2.215 . . . . 0.0 109.811 174.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 7.8 mtpm? . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -42.72 66.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -69.46 -39.59 77.66 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.261 0.224 . . . . 0.0 111.365 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.88 -36.61 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.413 1.485 . . . . 0.0 109.64 -174.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.04 -54.58 20.27 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -40.05 40.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.63 0.772 . . . . 0.0 111.926 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -62.53 -46.03 90.26 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.269 1.028 . . . . 0.0 110.515 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.62 71.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.959 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.91 1.87 25.56 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.194 1.398 . . . . 0.0 111.382 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -109.24 -18.58 13.57 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.784 1.634 . . . . 0.0 107.993 173.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -97.93 -44.49 6.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.903 1.681 . . . . 0.0 112.261 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.2 -46.54 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -57.71 -38.99 76.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.65 1.18 . . . . 0.0 111.765 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.12 -41.17 90.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.297 0.639 . . . . 0.0 110.31 175.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.87 -29.55 70.27 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.85 -29.28 27.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.009 0.924 . . . . 0.0 111.34 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.22 77.35 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -60.56 -37.74 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.238 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.12 -43.23 87.75 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.793 0.837 . . . . 0.0 110.636 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.2 -51.45 68.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 N--CA 1.445 -0.682 0 C-N-CA 127.638 2.375 . . . . 0.0 111.981 174.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 119.731 -0.176 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -76.64 71.13 3.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.808 1.243 . . . . 0.0 108.321 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.12 12.89 0.48 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.01 -46.14 79.01 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 126.276 1.83 . . . . 0.0 109.002 174.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -65.99 -30.93 71.57 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.062 1.345 . . . . 0.0 111.603 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -72.49 -43.48 63.59 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.728 0.811 . . . . 0.0 109.918 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.67 -50.06 64.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.007 0.923 . . . . 0.0 110.854 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.0 m -84.62 57.46 4.36 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.631 1.172 . . . . 0.0 110.549 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -134.34 -8.9 2.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.702 1.601 . . . . 0.0 112.545 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.54 -33.89 2.5 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.3 1.429 . . . . 0.0 110.815 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.5 -42.56 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 123.788 0.835 . . . . 0.0 111.744 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.74 -83.63 1.58 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.43 162.77 27.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -64.31 -75.32 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.723 2.282 . . . . 0.0 107.708 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.25 -44.47 1.11 Allowed Glycine 0 C--N 1.339 0.738 0 C-N-CA 130.325 3.821 . . . . 0.0 113.903 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -117.75 -34.31 4.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 127.677 2.391 . . . . 0.0 107.774 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -62.99 -24.23 67.81 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.51 78.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.435 1.494 . . . . 0.0 108.627 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -72.1 -35.13 69.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.928 0.491 . . . . 0.0 111.591 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.92 -43.82 96.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 123.47 0.708 . . . . 0.0 109.144 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.93 -57.81 11.4 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.93 -40.21 13.79 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.201 1.0 . . . . 0.0 112.081 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.42 -46.77 84.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.667 0.787 . . . . 0.0 110.822 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.18 -39.91 65.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.293 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.4 -34.34 70.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 119.143 0.883 . . . . 0.0 108.878 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.4 t -61.59 -38.9 89.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -77.43 -39.64 46.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.57 1.148 . . . . 0.0 112.244 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.3 -49.39 54.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 C-N-CA 124.998 1.319 . . . . 0.0 108.243 -176.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -35.29 78.43 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.172 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -64.33 -42.13 96.43 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.236 -0.654 . . . . 0.0 109.236 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 t -61.26 -35.72 78.04 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.49 60.1 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.3 0.24 . . . . 0.0 110.775 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -34.28 77.4 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -63.47 -32.39 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.375 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -71.14 -42.47 69.14 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.046 0.939 . . . . 0.0 111.258 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mmt -61.08 -51.01 70.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -51.47 -40.31 59.23 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -77.65 63.65 2.79 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 124.111 1.91 . . . . 0.0 109.016 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.67 -57.97 0.21 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 127.425 2.441 . . . . 0.0 107.654 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -79.77 56.64 2.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.014 1.326 . . . . 0.0 109.188 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -170.36 -58.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 127.5 2.32 . . . . 0.0 106.166 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ttp-105 -51.14 -55.4 17.99 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.423 1.489 . . . . 0.0 110.775 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -65.79 -45.83 80.97 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.321 1.048 . . . . 0.0 110.125 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -65.58 177.75 1.14 Allowed 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.892 1.677 . . . . 0.0 113.947 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.0 29.41 17.66 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.259 1.824 . . . . 0.0 111.591 -175.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -116.13 -125.95 0.29 Allowed 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.9 mm -104.12 77.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 C-N-CA 128.673 2.789 . . . . 0.0 106.017 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.958 -1.496 . . . . 0.0 109.457 -174.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.562 -0.162 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.9 62.66 1.61 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.052 1.341 . . . . 0.0 111.883 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -73.63 12.11 0.7 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -104.07 -49.99 3.48 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 128.356 2.662 . . . . 0.0 108.458 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.3 mtp -65.94 -39.75 90.74 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.621 1.168 . . . . 0.0 110.354 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 m -66.43 -39.6 89.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.923 0.889 . . . . 0.0 110.045 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -63.24 1.1 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.974 0.509 . . . . 0.0 109.877 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -87.13 59.91 5.87 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.913 1.285 . . . . 0.0 109.717 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.05 178.08 8.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.919 1.287 . . . . 0.0 111.107 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.73 28.12 4.09 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.203 0.906 . . . . 0.0 113.163 -174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.81 -32.74 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.867 0.867 . . . . 0.0 111.304 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.77 92.05 0.86 Allowed Glycine 0 C--N 1.339 0.725 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.51 163.38 22.97 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.44 0.543 . . . . 0.0 111.992 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.46 -51.37 10.65 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 124.966 3.778 . . . . 0.0 112.343 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.47 -37.03 12.18 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.245 1.403 . . . . 0.0 113.385 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -88.87 -33.56 17.29 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 118.088 0.944 . . . . 0.0 111.609 174.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -59.5 -28.11 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.099 0.863 . . . . 0.0 109.818 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.98 -44.11 66.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.502 1.121 . . . . 0.0 108.834 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -69.54 -38.94 77.69 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 111.323 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -37.9 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.7 1.6 . . . . 0.0 109.205 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.6 -57.26 9.58 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.97 -39.83 13.21 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.179 0.992 . . . . 0.0 112.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.74 -46.97 82.98 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.674 0.79 . . . . 0.0 110.974 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -73.24 -38.78 65.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.575 -174.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.46 -34.75 70.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.17 0.895 . . . . 0.0 108.843 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -38.86 89.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -77.68 -40.13 42.57 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.525 1.13 . . . . 0.0 112.028 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.4 t -70.26 -49.02 57.63 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 124.707 1.203 . . . . 0.0 108.237 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -35.1 78.61 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.888 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -63.4 -42.85 98.78 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.6 m -61.63 -30.49 70.74 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.13 -28.79 27.22 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.588 0.755 . . . . 0.0 111.344 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.11 77.11 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.39 -0.819 . . . . 0.0 108.959 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.14 -35.85 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.219 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -68.85 -44.18 73.91 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.594 1.158 . . . . 0.0 110.964 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -61.64 -51.35 68.86 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.09 -27.8 55.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.19 2.196 . . . . 0.0 111.801 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.04 48.19 0.48 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.28 1.832 . . . . 0.0 112.191 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.7 -57.43 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.37 2.414 . . . . 0.0 108.365 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.05 62.79 3.55 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.92 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -176.73 -54.87 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 127.218 2.207 . . . . 0.0 106.725 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.79 -55.34 35.6 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.262 1.825 . . . . 0.0 110.48 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.4 -46.18 77.44 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.425 1.09 . . . . 0.0 109.7 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -52.61 -65.59 0.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.791 1.636 . . . . 0.0 111.325 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.44 71.03 0.6 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.693 1.597 . . . . 0.0 108.843 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -93.45 -125.2 0.1 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.4 mm -87.79 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 C-N-CA 127.275 2.23 . . . . 0.0 106.93 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.297 1.439 . . . . 0.0 109.759 -178.674 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.08 155.06 25.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.241 1.016 . . . . 0.0 110.903 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.78 11.13 0.55 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 119.079 2.992 . . . . 0.0 119.079 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mtt -71.25 -46.65 60.51 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 126.277 1.831 . . . . 0.0 108.637 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.1 mtp -66.6 -36.15 81.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.848 1.259 . . . . 0.0 110.624 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.6 m -67.83 -38.15 82.84 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.999 0.92 . . . . 0.0 110.411 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.65 54.95 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.363 0.665 . . . . 0.0 110.924 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -110.18 70.25 0.72 Allowed 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.437 1.495 . . . . 0.0 109.534 -174.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.73 75.94 2.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.255 1.022 . . . . 0.0 109.678 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.45 -53.84 40.82 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.333 8.6 p 42.73 48.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.33 0 C-N-CA 128.015 2.526 . . . . 0.0 110.41 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.99 -46.62 1.03 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.299 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.36 157.89 33.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -55.55 -53.72 5.29 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 124.772 3.648 . . . . 0.0 112.804 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.83 -41.87 20.95 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.975 1.274 . . . . 0.0 113.047 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -85.46 -31.59 22.74 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 117.52 0.66 . . . . 0.0 111.76 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -60.83 -32.21 71.6 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.01 -34.39 64.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.5 1.52 . . . . 0.0 110.274 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -66.28 -45.19 81.29 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 118.494 0.588 . . . . 0.0 110.613 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.02 -43.32 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.909 1.284 . . . . 0.0 109.06 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.12 -54.46 46.77 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.587 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -37.22 54.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.684 0.794 . . . . 0.0 112.111 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -63.56 -48.4 77.63 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.807 0.843 . . . . 0.0 109.615 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.44 -34.52 72.55 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.095 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -78.96 6.07 10.14 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.45 1.1 . . . . 0.0 111.505 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -108.19 -37.9 5.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 172.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -78.37 -46.36 20.19 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.182 1.793 . . . . 0.0 112.142 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.59 -47.33 65.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.297 17.8 m -55.75 -36.13 66.94 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 127.094 2.157 . . . . 0.0 110.52 174.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.8 -46.63 65.3 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 p -57.85 -36.28 72.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.625 0.77 . . . . 0.0 109.415 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.01 -34.02 66.13 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.641 0.777 . . . . 0.0 110.111 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -34.53 78.67 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.779 0.718 . . . . 0.0 109.605 174.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.83 -36.46 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -34.4 63.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.009 0.822 . . . . 0.0 111.667 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -37.22 74.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -65.21 -39.15 92.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 128.016 2.526 . . . . 0.0 108.376 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -81.52 48.03 1.12 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 109.61 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -162.3 -62.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 C-N-CA 126.952 2.215 . . . . 0.0 108.538 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 24.22 45.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 129.411 3.085 . . . . 0.0 116.212 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -172.36 -61.77 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.958 1.703 . . . . 0.0 106.937 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -71.25 -41.98 69.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.672 1.189 . . . . 0.0 108.824 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -66.18 -32.18 73.47 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 126.12 1.768 . . . . 0.0 111.308 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -61.44 177.73 0.36 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.797 1.639 . . . . 0.0 113.37 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 59.12 57.5 3.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.015 1.326 . . . . 0.0 108.811 -174.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 32.4 ttmt -109.98 -125.35 0.27 Allowed 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 127.31 2.244 . . . . 0.0 105.776 -174.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.1 mm -131.58 141.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 C-N-CA 130.218 3.407 . . . . 0.0 106.867 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.7 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.203 -1.38 . . . . 0.0 108.821 179.056 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.3 78.2 3.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.949 0.9 . . . . 0.0 108.703 174.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.91 14.08 0.24 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 117.795 2.517 . . . . 0.0 117.795 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -65.98 -53.87 33.4 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 127.633 2.373 . . . . 0.0 108.835 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.6 ptm -63.13 -31.57 72.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.858 1.263 . . . . 0.0 111.29 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -69.6 -39.58 77.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.721 0.808 . . . . 0.0 110.128 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.24 -63.18 1.16 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.303 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -88.24 54.02 2.93 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.656 0.741 . . . . 0.0 111.098 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -80.54 -39.53 27.6 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.308 1.043 . . . . 0.0 110.932 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.23 49.91 19.02 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.25 -37.84 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.906 0.882 . . . . 0.0 111.195 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.19 -36.0 3.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.374 0.988 . . . . 0.0 111.649 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.5 154.47 18.94 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.697 1.618 . . . . 0.0 109.815 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -65.32 -64.42 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.547 2.832 . . . . 0.0 111.733 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.71 -34.64 36.77 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.063 1.316 . . . . 0.0 112.327 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -78.56 -35.17 46.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.339 0.655 . . . . 0.0 111.653 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.05 -36.85 82.88 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.49 73.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.456 1.103 . . . . 0.0 110.694 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -69.2 -39.52 78.59 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.795 0.725 . . . . 0.0 110.667 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.47 -42.26 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.001 0.92 . . . . 0.0 109.378 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.13 -50.86 71.51 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 118.318 -0.849 . . . . 0.0 108.935 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.54 62.78 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.1 0.864 . . . . 0.0 111.776 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -63.05 -51.77 65.38 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.665 0.786 . . . . 0.0 109.505 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -68.26 -38.04 81.35 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.963 -174.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mmm -62.25 -56.92 13.79 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -46.41 -43.1 16.05 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.998 0.811 . . . . 0.0 111.768 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.83 -41.8 61.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.379 1.472 . . . . 0.0 111.933 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 24' ' ' ALA . 56.0 t -70.26 -51.28 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 C-N-CA 125.135 1.374 . . . . 0.0 107.496 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 87.9 m -56.4 -35.21 67.51 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 128.007 2.523 . . . . 0.0 111.209 174.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -45.71 69.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.443 0.565 . . . . 0.0 109.65 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -60.6 -23.49 64.75 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.359 0.664 . . . . 0.0 110.638 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.15 17.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.808 0.843 . . . . 0.0 110.313 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.93 -33.8 74.92 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mm -58.07 -40.27 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.112 0.965 . . . . 0.0 108.657 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 mmt -70.81 -40.77 72.28 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.676 1.19 . . . . 0.0 110.925 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.05 -50.49 71.79 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -54.27 -39.02 66.49 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 126.919 2.088 . . . . 0.0 109.908 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.9 48.63 1.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.864 2.065 . . . . 0.0 109.41 174.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.41 -69.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.745 2.593 . . . . 0.0 108.279 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -82.05 55.55 2.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.18 0.992 . . . . 0.0 110.76 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -159.2 -52.2 0.06 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.048 1.739 . . . . 0.0 107.235 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -59.59 -45.23 92.51 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.767 1.227 . . . . 0.0 109.671 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -63.8 -44.77 92.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.676 1.191 . . . . 0.0 109.927 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -69.0 -171.35 0.3 Allowed 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.82 1.648 . . . . 0.0 111.865 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 70.02 80.1 0.18 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.554 1.542 . . . . 0.0 110.436 174.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -86.6 53.12 2.7 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.511 1.924 . . . . 0.0 107.984 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm 68.27 60.66 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.219 2.208 . . . . 0.0 108.551 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.251 1.132 0 C-N-CA 125.415 1.486 . . . . 0.0 107.755 177.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.769 -0.086 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.49 175.82 1.66 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.012 0.925 . . . . 0.0 110.874 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -68.49 11.37 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 118.671 2.841 . . . . 0.0 118.671 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.11 -37.65 75.41 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 126.618 1.967 . . . . 0.0 108.61 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.6 ptm -65.3 -24.3 67.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.909 1.284 . . . . 0.0 111.4 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 m -86.33 -39.83 16.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.951 0.5 . . . . 0.0 110.008 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.67 -20.36 33.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.251 1.42 . . . . 0.0 113.644 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.7 p -85.1 -138.83 0.07 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -8.73 111.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 130.965 3.706 . . . . 0.0 114.801 -174.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.6 -57.45 0.72 Allowed Glycine 0 C--N 1.338 0.678 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.68 -30.04 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.72 0.808 . . . . 0.0 111.269 174.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.67 47.28 0.56 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.0 -176.99 43.76 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.214 0.911 . . . . 0.0 111.48 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.55 -57.43 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.731 2.954 . . . . 0.0 110.406 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.06 -30.82 17.27 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.532 1.539 . . . . 0.0 113.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -81.63 -37.83 26.95 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 118.272 1.036 . . . . 0.0 111.501 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -60.46 -36.75 78.99 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.15 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.741 1.216 . . . . 0.0 110.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm105 -67.75 -41.67 82.99 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.723 0.692 . . . . 0.0 110.437 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.0 -40.99 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.166 0.986 . . . . 0.0 109.673 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.26 -52.45 64.68 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.147 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.26 -37.56 55.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.611 0.764 . . . . 0.0 111.994 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -63.2 -47.63 81.76 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.893 0.877 . . . . 0.0 110.019 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -34.6 71.92 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.301 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mmm -78.19 4.24 13.11 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.464 1.106 . . . . 0.0 111.515 175.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 t -106.44 -35.41 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -83.33 -44.86 14.42 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.152 1.781 . . . . 0.0 112.669 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.91 -50.26 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.112 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.283 10.3 m -55.97 -34.91 66.16 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 128.898 2.879 . . . . 0.0 111.432 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.95 -40.89 71.75 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.144 0.429 . . . . 0.0 110.216 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.21 -38.29 82.89 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.99 69.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.129 0.572 . . . . 0.0 110.726 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -34.17 77.37 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 121.331 -0.855 . . . . 0.0 110.074 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mm -72.95 -7.85 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 C-N-CA 123.445 0.698 . . . . 0.0 110.262 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -29.11 11.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 ptm -76.46 -40.67 49.77 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -59.14 -42.91 91.78 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 128.068 2.547 . . . . 0.0 107.994 174.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 50.28 1.37 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.681 2.792 . . . . 0.0 109.657 175.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.39 -59.19 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 C-N-CA 127.25 2.357 . . . . 0.0 107.533 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.0 57.16 2.56 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.067 1.347 . . . . 0.0 109.232 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -178.05 -51.76 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.301 2.24 . . . . 0.0 107.162 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -65.27 -55.73 16.72 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.155 1.382 . . . . 0.0 110.919 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.12 -44.89 90.85 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.419 1.087 . . . . 0.0 109.567 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -51.83 -42.68 62.73 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.169 1.788 . . . . 0.0 110.712 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 72.77 47.55 0.22 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 127.274 2.23 . . . . 0.0 108.414 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -104.51 51.43 0.77 Allowed 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.921 2.088 . . . . 0.0 107.286 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mm -77.4 74.57 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 125.006 1.322 . . . . 0.0 109.549 -174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 116.895 -1.526 . . . . 0.0 109.159 177.656 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.579 -0.156 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -76.19 81.65 2.99 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -74.36 9.54 1.65 Allowed 'General case' 0 C--N 1.34 0.187 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -76.55 -46.06 27.97 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 127.543 2.337 . . . . 0.0 107.609 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.8 mtp -66.26 -31.25 71.95 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.453 1.101 . . . . 0.0 110.546 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.417 0.687 . . . . 0.0 110.806 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.4 -58.43 8.65 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 123.572 0.749 . . . . 0.0 109.499 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -86.69 60.97 6.54 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -48.69 -39.37 24.31 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.392 1.477 . . . . 0.0 113.61 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.37 -29.88 7.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.058 1.313 . . . . 0.0 114.437 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 p -67.89 -36.58 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 118.45 1.125 . . . . 0.0 111.386 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.65 46.24 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 123.91 0.767 . . . . 0.0 111.857 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.83 175.39 38.18 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.04 -60.07 0.58 Allowed 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 124.266 3.31 . . . . 0.0 111.917 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.99 -48.75 51.26 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.974 175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -89.61 61.98 5.7 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 123.155 1.455 . . . . 0.0 110.572 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.14 -51.91 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 130.184 3.393 . . . . 0.0 103.057 174.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.79 84.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.262 1.425 . . . . 0.0 107.647 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -74.42 -38.97 62.9 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 117.966 0.348 . . . . 0.0 110.145 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.81 -42.95 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.662 0.785 . . . . 0.0 108.992 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.71 -55.05 37.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.29 -39.69 46.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.623 0.769 . . . . 0.0 112.062 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.11 -46.64 86.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.223 1.009 . . . . 0.0 109.93 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.41 73.21 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.114 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -79.53 6.39 10.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.713 1.205 . . . . 0.0 111.807 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -109.13 -35.67 6.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -82.15 -45.98 14.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.065 1.746 . . . . 0.0 112.202 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.81 -49.55 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.288 12.2 m -56.52 -33.56 66.17 Favored 'General case' 0 N--CA 1.42 -1.946 0 C-N-CA 128.873 2.869 . . . . 0.0 111.676 174.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -71.14 -41.66 70.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 118.382 0.537 . . . . 0.0 109.801 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 t -60.54 -37.88 82.64 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -26.87 61.76 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.17 0.188 . . . . 0.0 110.847 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -31.45 71.36 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.69 -30.11 49.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.0 mmm -73.5 -43.57 59.8 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.127 0.971 . . . . 0.0 110.974 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -37.47 86.41 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -61.5 -41.62 97.56 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 127.625 2.37 . . . . 0.0 108.322 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -76.53 72.7 3.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 123.779 1.752 . . . . 0.0 108.188 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.23 -45.69 0.49 Allowed Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.142 1.829 . . . . 0.0 109.202 -174.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -49.63 -54.07 20.56 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.407 1.083 . . . . 0.0 110.577 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.3 113.18 9.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 122.353 1.073 . . . . 0.0 111.062 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -62.62 0.14 Allowed 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 127.813 2.445 . . . . 0.0 106.961 -174.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -112.99 -11.08 13.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.459 2.304 . . . . 0.0 111.264 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -51.77 159.66 0.78 Allowed 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 50.79 66.43 1.17 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.738 -174.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -91.02 51.99 2.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.882 1.673 . . . . 0.0 108.219 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mt 67.67 70.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 127.141 2.177 . . . . 0.0 108.593 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.088 0 C-N-CA 124.972 1.309 . . . . 0.0 107.921 177.17 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.213 0.054 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.8 pm0 -58.81 152.95 18.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.794 1.237 . . . . 0.0 110.826 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -71.48 10.15 0.68 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -174.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 mmt -91.07 -55.44 3.54 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 128.05 2.54 . . . . 0.0 108.577 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.36 74.93 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 127.745 2.418 . . . . 0.0 110.956 174.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.6 m -65.25 -40.09 93.51 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.978 0.911 . . . . 0.0 109.993 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.23 -60.06 2.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.683 0.393 . . . . 0.0 109.987 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 p -88.24 53.89 2.89 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.587 0.755 . . . . 0.0 111.384 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.28 171.02 13.81 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.723 1.209 . . . . 0.0 109.52 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.32 -92.48 0.21 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.309 7.4 p 37.65 42.31 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 128.259 2.624 . . . . 0.0 110.405 -174.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.69 -57.38 0.5 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 112.146 -2.297 . . . . 0.0 109.176 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.31 135.63 2.19 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -80.22 -53.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 123.925 3.083 . . . . 0.0 112.45 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.6 -47.2 30.01 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.287 1.899 . . . . 0.0 112.362 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -75.85 -29.55 58.61 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 118.096 -0.954 . . . . 0.0 112.08 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 20' ' ' VAL . 30.6 ttmt -66.51 -28.13 68.32 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.311 0.959 . . . . 0.0 109.448 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.57 73.53 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -69.67 -41.83 74.95 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 118.271 0.487 . . . . 0.0 111.064 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.06 -37.66 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.801 1.241 . . . . 0.0 109.342 -175.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.8 -53.09 44.84 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.95 -37.88 47.18 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.34 0.656 . . . . 0.0 112.202 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.8 -49.42 75.03 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.737 0.815 . . . . 0.0 110.002 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.0 79.53 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.685 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.0 mmt -80.5 1.02 31.12 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.407 1.083 . . . . 0.0 111.876 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.1 p -115.63 -7.62 12.15 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.292 1.037 . . . . 0.0 109.147 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -101.18 -48.04 4.53 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.174 1.789 . . . . 0.0 112.234 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.6 t -68.69 -51.36 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 C-N-CA 125.158 1.383 . . . . 0.0 107.413 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.264 5.5 m -56.94 -29.4 63.1 Favored 'General case' 0 N--CA 1.42 -1.947 0 C-N-CA 128.009 2.524 . . . . 0.0 111.874 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -42.63 48.5 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.271 0.628 . . . . 0.0 110.269 174.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 t -58.76 -36.04 73.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 174.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -32.0 72.95 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 120.573 -1.33 . . . . 0.0 107.43 173.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG23 ' NH1' ' A' ' 38' ' ' ARG . 21.1 mt -66.26 -38.33 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.017 174.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.405 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.4 ptp -74.73 -30.3 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.833 1.197 . . . . 0.0 111.179 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -38.14 69.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.42 0.554 . . . . 0.0 109.963 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -64.45 -40.16 95.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.118 2.567 . . . . 0.0 109.499 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' NH1' HG23 ' A' ' 34' ' ' ILE . 5.4 mpt_? -78.62 49.56 0.89 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.235 2.214 . . . . 0.0 110.363 174.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.86 -58.39 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 127.795 2.617 . . . . 0.0 107.641 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.46 60.28 2.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.673 1.589 . . . . 0.0 109.187 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -175.42 -52.75 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.73 2.012 . . . . 0.0 107.357 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -58.6 -55.37 35.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.004 1.722 . . . . 0.0 110.552 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -65.42 -46.9 78.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.396 1.078 . . . . 0.0 109.731 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.04 -40.9 86.5 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.049 1.74 . . . . 0.0 112.937 -176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 77.69 48.79 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.532 2.333 . . . . 0.0 106.813 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -95.63 48.64 1.15 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.122 1.769 . . . . 0.0 109.535 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.7 -35.67 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.423 1.489 . . . . 0.0 111.109 175.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.605 1.562 . . . . 0.0 108.728 174.431 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.897 -0.038 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.57 68.1 4.48 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.139 0.976 . . . . 0.0 109.55 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -72.64 9.45 1.09 Allowed 'General case' 0 C--N 1.34 0.186 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -81.13 -41.43 22.48 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 129.083 2.953 . . . . 0.0 108.009 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -68.41 -37.5 80.39 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.25 1.42 . . . . 0.0 109.681 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -68.48 -43.01 77.85 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.419 1.088 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.09 -63.37 1.12 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.336 0.654 . . . . 0.0 110.185 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.0 t -89.05 62.76 6.4 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 109.408 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -83.5 63.78 7.53 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.95 43.12 97.02 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.0 p -77.61 -33.91 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.562 0.745 . . . . 0.0 111.555 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.62 42.2 0.6 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.74 -175.15 47.58 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.74 -59.11 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.56 2.84 . . . . 0.0 110.864 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.34 -39.81 21.82 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.123 1.344 . . . . 0.0 112.211 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -75.52 -33.97 60.77 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.886 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -62.79 -29.85 71.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.849 1.204 . . . . 0.0 109.17 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -39.95 69.71 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.94 -43.35 79.29 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.482 0.583 . . . . 0.0 111.143 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -38.38 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.613 1.565 . . . . 0.0 109.589 -174.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 tp -66.82 -54.25 24.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.85 -39.13 52.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.9 -43.68 87.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.213 1.005 . . . . 0.0 110.385 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -36.56 75.64 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.696 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.4 mmt -76.56 1.99 15.19 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 125.905 1.682 . . . . 0.0 111.226 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.4 t -107.07 -23.75 12.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.138 1.375 . . . . 0.0 107.92 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -95.34 -41.88 8.79 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.935 1.694 . . . . 0.0 112.878 -176.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.4 -44.8 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 C-N-CA 124.938 1.295 . . . . 0.0 108.294 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.321 32.5 p -58.81 -35.51 72.98 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 127.153 2.181 . . . . 0.0 110.025 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.33 -41.65 66.27 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.681 0.792 . . . . 0.0 110.137 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -61.72 -29.96 70.45 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.37 -30.49 27.37 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.79 1.236 . . . . 0.0 111.155 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -34.75 78.02 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.96 -35.25 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.358 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.1 mmt -68.23 -42.03 80.37 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.139 0.881 . . . . 0.0 110.861 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 mmt -60.83 -51.07 70.85 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.376 3.07 . . . . 0.0 113.052 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -60.16 124.05 19.05 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 122.03 0.919 . . . . 0.0 109.363 -174.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.25 -33.9 5.48 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 113.06 -1.882 . . . . 0.0 112.165 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.79 54.75 10.65 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.237 1.519 . . . . 0.0 109.963 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -157.23 -52.89 0.07 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 126.919 2.088 . . . . 0.0 106.067 -174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -64.28 -39.05 93.13 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.295 1.438 . . . . 0.0 108.224 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.61 -53.1 56.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.086 1.754 . . . . 0.0 109.663 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -56.14 -43.8 78.59 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.975 1.71 . . . . 0.0 110.33 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 81.0 87.6 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.411 2.685 . . . . 0.0 110.189 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -90.06 50.78 1.92 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.621 1.568 . . . . 0.0 107.836 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm 64.2 77.55 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.085 2.154 . . . . 0.0 109.42 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.251 1.165 0 CA-C-O 116.794 -1.574 . . . . 0.0 108.107 177.765 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -79.34 76.1 5.91 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.45 13.21 0.26 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 118.106 2.632 . . . . 0.0 118.106 -174.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.8 ttp -66.45 -44.33 83.07 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 126.549 1.94 . . . . 0.0 108.841 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -65.41 -34.36 78.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.049 1.34 . . . . 0.0 111.309 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 m -72.14 -40.92 67.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.106 0.962 . . . . 0.0 110.053 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.34 -56.03 14.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.612 0.765 . . . . 0.0 109.884 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 t -84.98 60.64 6.36 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.587 1.155 . . . . 0.0 109.485 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -108.74 -60.63 1.72 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.174 1.39 . . . . 0.0 108.773 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.05 -59.29 6.0 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.319 9.2 p 44.44 45.67 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 127.706 2.402 . . . . 0.0 110.721 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.7 91.53 0.56 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 107.199 -2.36 . . . . 0.0 107.199 -174.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 160.29 28.79 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.194 0.426 . . . . 0.0 112.121 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.97 -52.43 5.13 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 124.842 3.694 . . . . 0.0 112.119 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.83 -44.0 23.81 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.348 1.452 . . . . 0.0 112.552 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -79.68 -33.13 41.38 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.444 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' HG12 ' A' ' 20' ' ' VAL . 56.9 mttt -61.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 118.941 0.791 . . . . 0.0 110.209 174.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.6 -40.44 66.54 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 174.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -68.21 -44.45 75.75 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 121.359 0.6 . . . . 0.0 111.271 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.75 -37.78 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 126.217 1.807 . . . . 0.0 109.382 -174.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.34 -51.34 53.53 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.11 60.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.225 0.92 . . . . 0.0 111.765 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.59 -49.08 76.64 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.099 0.96 . . . . 0.0 110.038 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.16 -36.36 71.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.194 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.5 mmm -61.83 -56.13 22.67 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -47.8 -41.78 24.4 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 124.2 0.938 . . . . 0.0 112.124 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -71.13 -45.32 63.83 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 111.571 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 24' ' ' ALA . 59.9 t -67.41 -48.48 77.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 C-N-CA 125.135 1.374 . . . . 0.0 108.006 -174.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.276 99.8 m -58.14 -35.72 71.93 Favored 'General case' 0 N--CA 1.423 -1.799 0 C-N-CA 128.389 2.676 . . . . 0.0 111.143 174.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.13 -45.2 67.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.164 0.586 . . . . 0.0 110.166 174.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.19 -27.81 67.44 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.463 0.705 . . . . 0.0 110.141 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.18 -27.72 22.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.977 0.911 . . . . 0.0 111.144 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.22 75.48 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 174.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -58.81 -41.38 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.33 -41.56 93.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -41.27 90.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -69.42 -30.86 68.91 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 127.842 2.457 . . . . 0.0 111.769 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -79.04 47.07 0.75 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.178 1.791 . . . . 0.0 111.155 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.5 -58.49 0.11 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 128.513 2.959 . . . . 0.0 107.546 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -77.5 70.11 3.84 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 124.229 1.012 . . . . 0.0 109.217 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -172.74 -55.23 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 127.126 2.17 . . . . 0.0 106.319 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.39 -46.17 87.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.886 1.274 . . . . 0.0 109.122 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -66.4 -41.75 88.85 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.882 1.273 . . . . 0.0 110.567 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.9 172.2 1.03 Allowed 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.338 1.455 . . . . 0.0 113.601 -174.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 59.31 71.14 0.6 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.487 1.515 . . . . 0.0 110.06 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -88.91 53.41 2.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 126.41 1.884 . . . . 0.0 107.92 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mm 71.74 60.63 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 127.586 2.354 . . . . 0.0 108.293 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.25 1.096 0 C-N-CA 125.841 1.656 . . . . 0.0 107.529 177.35 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.86 101.59 1.77 Allowed 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.481 0.712 . . . . 0.0 109.213 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.71 160.83 1.24 Allowed 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.359 2.028 . . . . 0.0 114.785 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.3 ttt 174.09 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 1 CA-C-N 107.945 -4.207 . . . . 0.0 107.948 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -62.07 -36.86 82.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.764 1.226 . . . . 0.0 110.052 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 m -71.01 -38.68 72.65 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.149 0.579 . . . . 0.0 110.531 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.36 92.89 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.299 0.64 . . . . 0.0 110.204 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.0 m -81.61 57.45 3.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.939 1.296 . . . . 0.0 108.71 174.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.37 -47.52 81.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.506 1.122 . . . . 0.0 111.807 -174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.09 51.45 0.77 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.329 8.7 p 44.96 42.86 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 127.825 2.45 . . . . 0.0 111.013 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.71 49.73 0.14 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 112.307 -2.224 . . . . 0.0 109.697 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.17 -176.7 19.26 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.847 1.213 . . . . 0.0 112.738 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -51.7 -48.58 20.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 124.945 3.764 . . . . 0.0 112.419 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.37 17.49 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.676 1.131 . . . . 0.0 112.211 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -79.56 -30.93 41.85 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 117.636 0.718 . . . . 0.0 111.837 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -61.39 -34.38 75.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.809 0.731 . . . . 0.0 109.268 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -36.45 65.36 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.183 1.393 . . . . 0.0 110.386 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -70.16 -37.43 75.2 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.544 0.611 . . . . 0.0 111.05 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.13 -43.46 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.978 1.311 . . . . 0.0 109.464 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.11 -53.09 61.9 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.637 -0.696 . . . . 0.0 109.425 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.15 51.87 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.066 0.946 . . . . 0.0 112.052 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.59 -47.06 83.0 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.689 0.796 . . . . 0.0 110.018 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.43 76.12 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.071 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 mmt -77.78 3.6 13.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.814 1.246 . . . . 0.0 111.667 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -104.35 -38.55 6.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 173.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -79.09 -47.47 16.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 126.713 2.005 . . . . 0.0 112.425 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.04 -49.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.281 9.1 m -55.07 -36.8 66.0 Favored 'General case' 0 N--CA 1.42 -1.928 0 C-N-CA 128.939 2.896 . . . . 0.0 111.515 174.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.92 -45.55 67.3 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 122.926 0.49 . . . . 0.0 110.059 174.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 t -58.95 -32.05 69.26 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 123.162 0.585 . . . . 0.0 109.719 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.64 -27.27 34.2 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.561 0.745 . . . . 0.0 111.106 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -31.46 72.06 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.9 mm -62.38 -33.42 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.2 mmm -70.89 -48.02 56.04 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.383 1.073 . . . . 0.0 110.469 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -33.52 76.13 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.914 0.486 . . . . 0.0 109.832 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -71.47 -40.08 70.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.588 2.355 . . . . 0.0 110.183 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 111.66 1.26 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.859 1.264 . . . . 0.0 109.059 174.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.72 -26.72 4.57 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.728 -1.04 . . . . 0.0 112.985 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 t30 68.62 -15.26 0.24 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.693 1.597 . . . . 0.0 114.313 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -143.15 -43.25 0.29 Allowed 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 125.86 1.664 . . . . 0.0 109.865 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -52.27 -63.06 1.26 Allowed 'General case' 0 C--N 1.34 0.189 0 C-N-CA 126.691 1.996 . . . . 0.0 111.696 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -67.38 -38.91 85.49 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.23 1.012 . . . . 0.0 110.285 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -57.12 -37.68 72.35 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.281 1.433 . . . . 0.0 111.707 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 69.43 52.34 0.46 Allowed 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.916 2.086 . . . . 0.0 108.395 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -105.66 -129.23 0.27 Allowed 'General case' 0 N--CA 1.427 -1.601 0 N-CA-C 105.141 -2.17 . . . . 0.0 105.141 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.1 pt -154.37 157.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 C-N-CA 130.857 3.663 . . . . 0.0 107.671 175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.799 -1.572 . . . . 0.0 111.043 177.181 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.97 -176.62 0.29 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.383 1.473 . . . . 0.0 112.215 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -52.7 -178.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 129.258 3.023 . . . . 0.0 114.718 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.7 mmt 70.42 -16.25 0.32 Allowed 'General case' 0 N--CA 1.428 -1.553 0 C-N-CA 130.853 3.661 . . . . 0.0 112.946 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -68.56 -31.12 70.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.608 1.163 . . . . 0.0 109.97 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -64.47 -38.22 90.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.497 1.119 . . . . 0.0 109.956 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.68 -54.27 7.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.79 0.836 . . . . 0.0 110.04 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.8 m -84.84 58.82 5.2 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.999 1.32 . . . . 0.0 109.343 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -82.8 71.78 9.89 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.564 1.146 . . . . 0.0 109.455 -174.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.19 43.08 95.97 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -73.87 -34.03 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.661 0.784 . . . . 0.0 111.444 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.22 91.63 0.74 Allowed Glycine 0 C--N 1.339 0.73 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 -175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.12 163.53 20.78 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.483 0.563 . . . . 0.0 111.945 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.51 -51.3 10.8 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 125.028 3.819 . . . . 0.0 112.42 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.45 -40.31 15.89 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.125 1.345 . . . . 0.0 113.059 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -85.21 -33.34 22.27 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 117.954 0.877 . . . . 0.0 111.754 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -59.51 -27.71 66.41 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.128 0.876 . . . . 0.0 109.83 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.21 65.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.264 1.025 . . . . 0.0 108.925 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -69.05 -40.43 78.55 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 117.911 0.323 . . . . 0.0 111.315 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -38.31 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 125.769 1.627 . . . . 0.0 108.901 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.28 -58.25 7.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.72 -41.63 15.37 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 124.135 0.974 . . . . 0.0 111.971 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.06 -44.76 94.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.775 0.83 . . . . 0.0 111.047 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -75.22 -39.0 60.44 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.589 -175.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -72.27 -36.3 68.96 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.424 1.011 . . . . 0.0 109.065 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.6 p -64.45 -31.03 72.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 119.328 -0.368 . . . . 0.0 110.182 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -80.69 -39.92 26.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.098 0.959 . . . . 0.0 112.565 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ALA . 53.6 t -69.87 -48.61 62.86 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 C-N-CA 125.013 1.325 . . . . 0.0 108.075 -176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -35.77 78.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.095 174.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -65.42 -39.77 92.54 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 t -61.84 -34.95 76.89 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.38 -27.5 41.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.405 0.682 . . . . 0.0 111.595 174.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -33.27 75.37 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mt -61.46 -38.05 79.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.0 mmm -65.14 -44.11 89.68 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 118.85 0.75 . . . . 0.0 109.765 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -66.6 -36.17 81.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.391 0.432 . . . . 0.0 109.867 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -72.03 -32.38 67.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 127.648 2.379 . . . . 0.0 111.226 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.13 44.1 0.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.275 1.83 . . . . 0.0 111.186 175.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.06 -54.76 0.03 OUTLIER Glycine 0 CA--C 1.523 0.583 0 C-N-CA 128.458 2.932 . . . . 0.0 107.622 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -79.29 63.53 3.94 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.032 1.333 . . . . 0.0 108.195 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.3 -57.08 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 128.631 2.773 . . . . 0.0 106.387 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttp-105 -57.99 -43.83 86.8 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.302 1.441 . . . . 0.0 110.271 174.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -64.73 -52.46 56.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.45 1.1 . . . . 0.0 109.648 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.54 -43.78 80.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.191 1.796 . . . . 0.0 112.754 -175.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 61.69 53.42 3.24 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 127.486 2.314 . . . . 0.0 108.773 -174.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 0.0 OUTLIER -120.42 -128.91 0.28 Allowed 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 127.02 2.128 . . . . 0.0 105.991 -174.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 pt -128.58 171.12 17.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 C-N-CA 129.382 3.073 . . . . 0.0 109.625 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.087 177.249 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.871 -0.048 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.37 68.8 4.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.167 0.987 . . . . 0.0 109.615 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.75 8.56 1.44 Allowed 'General case' 0 C--N 1.341 0.206 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.5 ttm -80.35 -41.35 24.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 127.695 2.398 . . . . 0.0 107.571 174.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 92.3 mtp -66.44 -38.42 87.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.949 1.3 . . . . 0.0 109.636 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -70.11 -39.66 75.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 110.574 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.28 -62.76 1.41 Allowed 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.072 0.549 . . . . 0.0 110.135 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.2 t -90.24 62.3 5.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.497 1.119 . . . . 0.0 109.169 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -84.77 64.56 8.64 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.992 0.917 . . . . 0.0 109.097 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.4 53.65 0.01 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.76 -36.17 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.706 0.802 . . . . 0.0 111.357 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.23 -49.06 0.4 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.47 -169.74 54.87 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.89 -50.01 10.06 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 124.667 3.578 . . . . 0.0 111.655 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.78 -58.06 13.85 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.321 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -92.42 68.63 4.94 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 123.426 1.584 . . . . 0.0 109.745 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -158.81 -49.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 131.344 3.857 . . . . 0.0 103.373 174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.41 82.21 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.666 1.587 . . . . 0.0 107.655 173.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.71 -43.25 69.34 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 121.153 0.501 . . . . 0.0 110.427 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.85 -41.64 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.279 1.032 . . . . 0.0 109.216 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.5 -53.64 51.78 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.71 51.03 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.844 0.747 . . . . 0.0 111.803 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.06 -47.29 80.72 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.481 1.113 . . . . 0.0 110.428 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.86 -35.73 77.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.889 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.6 mmm -77.1 -2.73 35.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.619 1.167 . . . . 0.0 111.531 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.2 m -103.38 -19.18 14.53 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -96.98 -49.26 5.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.812 1.645 . . . . 0.0 112.715 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.85 -49.36 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 125.621 1.568 . . . . 0.0 107.831 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 14.1 m -55.97 -33.16 64.54 Favored 'General case' 0 N--CA 1.42 -1.93 0 C-N-CA 127.959 2.504 . . . . 0.0 111.451 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -43.05 59.76 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.778 0.831 . . . . 0.0 110.605 174.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -59.24 -34.47 72.24 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.01 -28.83 39.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.831 0.852 . . . . 0.0 111.739 174.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -33.41 75.9 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.88 -36.05 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 117.931 -1.033 . . . . 0.0 108.276 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.01 -43.32 88.03 Favored 'General case' 0 C--N 1.337 0.033 0 CA-C-N 119.441 1.019 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -32.12 73.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.207 0.603 . . . . 0.0 110.383 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.33 -30.63 27.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.788 2.435 . . . . 0.0 111.949 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.25 122.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -176.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.34 -34.08 5.21 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 113.389 -1.732 . . . . 0.0 110.476 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -74.81 -51.16 14.79 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.7 1.25 . . . . 0.0 110.114 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -47.37 -49.12 25.28 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.672 1.189 . . . . 0.0 112.51 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -49.61 -53.63 22.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.876 2.47 . . . . 0.0 111.276 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.09 -40.82 78.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.642 1.177 . . . . 0.0 111.592 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.72 175.1 0.13 Allowed 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.916 2.086 . . . . 0.0 114.273 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 65.6 70.07 0.45 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.67 1.588 . . . . 0.0 108.915 -174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.329 2.3 mmmp? -80.56 -121.66 0.02 OUTLIER 'General case' 0 N--CA 1.402 -2.852 0 C-N-CA 130.358 3.463 . . . . 0.0 107.66 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.5 mm -75.53 76.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 127.267 2.227 . . . . 0.0 107.98 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.196 -1.383 . . . . 0.0 108.777 177.398 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 119.814 -0.136 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.53 66.09 4.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 174.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -98.74 11.7 37.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.6 mmm -72.62 -35.24 67.79 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 127.12 2.168 . . . . 0.0 109.967 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.0 ttp -68.56 -43.96 75.5 Favored 'General case' 0 N--CA 1.413 -2.28 0 C-N-CA 129.371 3.069 . . . . 0.0 108.36 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.0 m -66.55 -40.34 88.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.429 1.092 . . . . 0.0 110.016 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.19 -65.18 0.71 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.696 0.798 . . . . 0.0 110.168 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.8 59.35 5.34 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.463 1.105 . . . . 0.0 109.623 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -79.64 -51.01 9.8 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.082 0.953 . . . . 0.0 110.157 -178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.42 46.23 0.72 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.64 -37.5 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.64 0.776 . . . . 0.0 111.134 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.49 3.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.503 1.049 . . . . 0.0 111.114 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.89 -177.79 48.16 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.862 0.744 . . . . 0.0 111.781 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.63 -56.1 1.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 124.239 3.293 . . . . 0.0 111.89 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.44 -42.29 13.36 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.354 1.454 . . . . 0.0 112.336 176.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -79.29 -33.73 43.07 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 117.732 -1.127 . . . . 0.0 112.016 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -61.29 -29.33 69.8 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 120.157 1.344 . . . . 0.0 109.416 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.23 70.06 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -68.7 -41.8 78.65 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.4 0.545 . . . . 0.0 111.28 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -37.3 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.643 1.577 . . . . 0.0 109.229 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.89 -56.82 9.83 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 173.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.22 -41.32 18.1 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 124.486 1.115 . . . . 0.0 112.036 -177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.4 -43.23 98.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.51 1.124 . . . . 0.0 111.078 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.04 55.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.122 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -84.63 13.48 5.62 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 119.141 0.882 . . . . 0.0 111.922 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.2 p -118.39 -32.33 4.67 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.755 1.622 . . . . 0.0 106.65 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -79.72 -49.26 12.34 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.79 1.636 . . . . 0.0 111.961 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.47 -48.46 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -54.99 -37.03 66.03 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 129.078 2.951 . . . . 0.0 111.742 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.93 -46.23 65.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.077 0.465 . . . . 0.0 109.932 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.0 t -58.56 -30.39 67.12 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.334 0.654 . . . . 0.0 109.901 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.75 -28.63 28.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.556 0.743 . . . . 0.0 111.062 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.63 76.94 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.092 0.86 . . . . 0.0 108.732 174.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CG2' HH11 ' A' ' 38' ' ' ARG . 8.9 mt -60.08 -37.87 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.265 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.2 mmm -68.04 -41.64 81.75 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.867 0.867 . . . . 0.0 110.8 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.3 mmt -60.71 -48.97 79.4 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.751 0.82 . . . . 0.0 108.894 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.64 -35.3 72.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 127.771 2.428 . . . . 0.0 111.212 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.466 HH11 ' CG2' ' A' ' 34' ' ' ILE . 1.1 mpt_? -81.56 46.0 0.93 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.079 2.152 . . . . 0.0 110.603 174.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.17 44.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 C-N-CA 128.265 2.841 . . . . 0.0 109.916 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -55.27 -49.61 71.62 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 123.615 0.766 . . . . 0.0 111.565 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -55.1 -47.75 74.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.417 1.087 . . . . 0.0 111.554 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -64.28 -47.2 80.44 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.578 1.151 . . . . 0.0 111.921 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -62.63 -43.05 99.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.268 1.427 . . . . 0.0 110.69 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -53.64 163.79 0.62 Allowed 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 56.82 51.69 10.47 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.72 1.608 . . . . 0.0 110.014 -174.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -96.87 53.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.345 1.858 . . . . 0.0 107.607 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.4 mm 71.93 60.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.022 2.129 . . . . 0.0 106.902 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.7 t . . . . . 0 C--O 1.249 1.064 0 C-N-CA 126.172 1.789 . . . . 0.0 106.765 -178.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -117.57 166.39 12.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.742 1.617 . . . . 0.0 108.576 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.23 168.34 0.53 Allowed 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 125.459 2.552 . . . . 0.0 116.156 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ttt -167.54 31.22 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.609 1 CA-C-N 106.882 -4.69 . . . . 0.0 107.434 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.4 mtm 38.24 38.32 0.21 Allowed 'General case' 0 N--CA 1.434 -1.274 0 C-N-CA 130.207 3.403 . . . . 0.0 107.619 -171.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.5 m -174.38 -48.29 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 111.436 -2.62 . . . . 0.0 106.464 -173.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 -29.17 70.25 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 119.521 -0.872 . . . . 0.0 111.887 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.3 m -146.21 55.35 1.16 Allowed 'General case' 0 C--N 1.342 0.269 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.97 106.74 1.66 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.817 1.247 . . . . 0.0 110.772 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.27 37.02 93.95 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.332 -0.704 . . . . 0.0 112.792 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.58 -40.1 87.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 117.975 0.887 . . . . 0.0 109.888 174.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.01 -51.05 5.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.27 -168.46 31.43 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.189 0.899 . . . . 0.0 110.929 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -59.08 -49.9 10.04 Favored 'Trans proline' 0 C--N 1.345 0.381 1 C-N-CA 125.756 4.304 . . . . 0.0 110.534 174.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.39 -44.35 28.04 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.781 174.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -32.51 56.91 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.468 0.707 . . . . 0.0 111.528 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -33.1 73.54 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.576 0.626 . . . . 0.0 109.445 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.1 63.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.466 1.106 . . . . 0.0 110.242 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -67.14 -43.24 82.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 118.681 0.673 . . . . 0.0 110.408 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -66.37 -42.64 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.756 1.222 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.24 -54.18 49.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.247 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.51 -41.19 60.82 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.825 0.739 . . . . 0.0 111.74 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -62.07 -47.76 83.22 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.975 0.91 . . . . 0.0 110.062 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -71.06 -37.15 72.51 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.253 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.54 -47.36 84.26 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -57.22 -38.92 74.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.58 0.55 . . . . 0.0 111.242 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -77.59 -38.21 48.78 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.546 0.738 . . . . 0.0 112.41 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' ALA . 55.4 t -71.04 -49.38 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 125.531 1.532 . . . . 0.0 108.065 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -33.44 75.33 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.022 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -66.78 -40.28 88.12 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 t -60.52 -35.08 75.12 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 35' ' ' MET . . . -80.12 -26.59 39.4 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 174.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -35.32 78.1 Favored 'General case' 0 C--O 1.227 -0.128 0 O-C-N 120.642 -1.286 . . . . 0.0 107.719 174.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.63 -37.25 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-O 117.259 -1.353 . . . . 0.0 110.234 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 6.9 ptp -73.85 -29.4 62.09 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.362 1.437 . . . . 0.0 111.68 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mmm -68.33 -55.17 12.99 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.93 -44.82 20.19 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.635 2.374 . . . . 0.0 110.284 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -70.25 82.02 0.53 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.175 1.39 . . . . 0.0 107.309 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.48 -62.03 0.6 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 126.633 2.064 . . . . 0.0 109.847 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -85.15 24.61 1.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -168.84 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.338 0.095 0 C-N-CA 124.451 1.1 . . . . 0.0 108.605 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -52.16 -51.23 59.3 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.144 1.778 . . . . 0.0 110.92 -175.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -78.45 -50.36 11.8 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.76 1.224 . . . . 0.0 110.828 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.65 -71.39 0.08 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.347 1.859 . . . . 0.0 113.527 -174.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 48.0 51.74 14.08 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.427 1.091 . . . . 0.0 111.293 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -93.91 51.84 1.58 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.983 2.113 . . . . 0.0 106.859 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mt 62.93 60.28 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.472 1.909 . . . . 0.0 107.748 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.326 -1.321 . . . . 0.0 109.018 -177.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.365 0.602 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -82.27 69.76 9.07 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 108.883 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.64 13.23 0.83 Allowed 'General case' 0 C--N 1.34 0.167 0 N-CA-C 117.19 2.293 . . . . 0.0 117.19 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -63.57 -38.95 93.06 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.898 2.079 . . . . 0.0 110.292 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.7 mtt -67.51 -30.03 69.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.406 1.082 . . . . 0.0 111.014 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 m -73.03 -43.28 62.25 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.425 0.69 . . . . 0.0 109.445 174.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -69.35 0.3 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.372 1.069 . . . . 0.0 111.703 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.55 59.59 2.93 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.74 0.816 . . . . 0.0 109.902 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -81.86 70.15 8.7 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.686 0.794 . . . . 0.0 110.405 -176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.45 -60.39 6.31 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 109.869 -1.293 . . . . 0.0 109.869 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.324 8.8 p 46.88 43.06 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 127.937 2.495 . . . . 0.0 111.46 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.79 34.42 4.78 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 112.613 -2.085 . . . . 0.0 111.564 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 160.88 48.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.66 -75.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.487 2.791 . . . . 0.0 108.641 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 -33.85 1.12 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 127.334 2.397 . . . . 0.0 113.68 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -125.03 -36.3 2.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.605 1.962 . . . . 0.0 108.792 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -61.44 -29.3 69.86 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.69 91.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.32 1.848 . . . . 0.0 109.519 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -71.62 -36.76 70.87 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.811 0.445 . . . . 0.0 111.37 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.69 -44.28 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.097 0.959 . . . . 0.0 109.31 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.15 44.44 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 111.799 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.69 -47.02 85.46 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.906 0.883 . . . . 0.0 110.295 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.58 80.12 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.567 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 mmt -79.04 1.36 24.28 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.813 1.245 . . . . 0.0 111.741 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -111.19 -12.98 14.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.082 1.353 . . . . 0.0 108.702 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -101.79 -47.59 4.56 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 126.04 1.736 . . . . 0.0 112.244 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.26 -51.79 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 C-N-CA 125.423 1.489 . . . . 0.0 107.186 -174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -54.43 -34.32 61.16 Favored 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 128.302 2.641 . . . . 0.0 111.51 174.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -44.64 62.62 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.221 0.608 . . . . 0.0 110.281 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 t -59.85 -28.86 67.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.992 0.517 . . . . 0.0 110.014 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.18 -28.98 25.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.715 0.806 . . . . 0.0 110.873 174.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.84 75.66 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 119.132 0.878 . . . . 0.0 108.672 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.8 -34.26 58.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.137 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -72.99 -40.85 64.88 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.365 1.066 . . . . 0.0 111.359 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.5 mmm -61.74 -49.64 75.63 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -53.98 -42.21 68.71 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.924 2.09 . . . . 0.0 108.738 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.05 46.54 0.81 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.3 2.24 . . . . 0.0 111.111 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.55 -61.24 0.05 OUTLIER Glycine 0 CA--C 1.526 0.771 0 C-N-CA 130.049 3.69 . . . . 0.0 105.283 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -84.72 61.73 6.93 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 174.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -176.29 -51.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 127.507 2.323 . . . . 0.0 106.62 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.64 -45.35 89.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.232 1.813 . . . . 0.0 109.59 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.67 -48.5 69.14 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.934 1.294 . . . . 0.0 110.265 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -57.07 -51.98 67.1 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.677 1.591 . . . . 0.0 112.841 -174.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 59.9 54.63 4.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.736 1.614 . . . . 0.0 109.417 -174.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -112.85 -123.04 0.28 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.777 2.031 . . . . 0.0 106.129 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -58.56 149.23 5.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 C-N-CA 128.306 2.643 . . . . 0.0 109.452 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 C--O 1.252 1.225 0 C-N-CA 125.098 1.359 . . . . 0.0 109.004 178.783 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.955 -0.069 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -85.81 169.11 13.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.89 166.55 1.91 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 123.91 1.814 . . . . 0.0 114.539 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ttt 70.82 -25.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 109.359 -3.564 . . . . 0.0 111.799 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.4 mtt -66.25 -31.17 71.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.96 1.304 . . . . 0.0 110.676 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -62.73 -38.48 90.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.313 1.045 . . . . 0.0 110.129 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.41 -58.01 3.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.975 0.91 . . . . 0.0 110.154 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.9 m -83.09 59.25 4.84 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 125.366 1.466 . . . . 0.0 109.157 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -83.7 72.43 10.34 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.536 -174.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.87 43.68 93.38 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.66 -45.71 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.397 0.679 . . . . 0.0 110.215 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.95 23.82 32.42 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.148 1.833 . . . . 0.0 115.25 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 -141.23 9.08 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.737 1.16 . . . . 0.0 114.228 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.84 -45.39 2.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.202 3.268 . . . . 0.0 111.621 -175.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.11 -46.92 20.84 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 125.682 1.611 . . . . 0.0 111.931 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -77.66 -30.49 52.13 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.892 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -37.88 83.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.03 70.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.924 1.29 . . . . 0.0 110.61 176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -69.34 -39.64 78.02 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.463 0.574 . . . . 0.0 110.694 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.36 -43.16 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.877 0.871 . . . . 0.0 109.454 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.21 -53.05 62.67 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.519 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.75 61.05 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.114 0.87 . . . . 0.0 111.937 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.33 -47.25 82.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.875 0.87 . . . . 0.0 110.023 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -70.84 -38.65 73.22 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.183 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 75.2 mmm -63.28 -55.54 23.89 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -51.64 -37.01 48.43 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.061 0.851 . . . . 0.0 112.055 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.27 -44.95 62.04 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.7 1.2 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' ALA . 52.9 t -67.96 -48.85 73.21 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 125.204 1.402 . . . . 0.0 107.896 -175.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.275 99.3 m -57.72 -36.28 71.8 Favored 'General case' 0 N--CA 1.423 -1.801 0 C-N-CA 128.513 2.725 . . . . 0.0 110.925 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -45.27 71.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.241 0.473 . . . . 0.0 109.959 174.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.6 t -59.38 -31.27 69.07 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.218 0.607 . . . . 0.0 109.758 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.47 -27.47 31.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.365 0.666 . . . . 0.0 111.122 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -31.93 73.22 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.15 -34.04 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.67 -43.01 66.77 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.624 1.17 . . . . 0.0 110.688 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -37.04 80.84 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -178.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.23 -35.68 80.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 128.29 2.636 . . . . 0.0 109.945 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 102.47 0.62 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.11 43.74 31.88 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.914 -1.275 . . . . 0.0 109.914 -174.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -32.0 -69.01 0.08 Allowed 'General case' 0 C--N 1.346 0.439 0 C-N-CA 127.132 2.173 . . . . 0.0 113.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -51.37 -44.38 62.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.68 1.192 . . . . 0.0 112.882 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -56.91 -44.25 82.19 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.351 1.06 . . . . 0.0 111.359 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -68.94 -45.15 71.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.42 1.088 . . . . 0.0 110.288 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -55.42 -53.45 56.11 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.734 1.214 . . . . 0.0 110.199 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -53.47 -56.53 16.16 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.793 1.637 . . . . 0.0 110.87 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -106.19 53.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.088 1.355 . . . . 0.0 109.701 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.2 tp -66.35 143.94 15.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.385 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.93 -1.509 . . . . 0.0 110.798 -179.069 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -77.18 59.53 1.76 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.571 1.548 . . . . 0.0 111.621 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -18.14 107.64 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.52 3.128 . . . . 0.0 116.944 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.24 -48.15 2.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.142 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -59.53 -38.23 80.47 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.97 1.308 . . . . 0.0 109.942 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 m -69.52 -37.39 77.13 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 123.402 0.439 . . . . 0.0 110.745 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.72 91.9 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.976 0.511 . . . . 0.0 110.812 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.89 56.86 0.73 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.375 1.07 . . . . 0.0 110.256 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 123.9 16.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 109.977 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.28 61.81 4.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -174.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -68.78 -34.26 63.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 111.077 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.08 -75.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.34 164.42 28.09 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.294 0.473 . . . . 0.0 111.992 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.85 -75.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.438 2.759 . . . . 0.0 108.173 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.97 -47.5 2.24 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 129.686 3.517 . . . . 0.0 113.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -115.05 -35.63 4.67 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 128.185 2.594 . . . . 0.0 107.412 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.97 -23.72 66.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 173.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.35 76.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.781 1.633 . . . . 0.0 108.802 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -67.85 -43.61 79.1 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 122.942 0.497 . . . . 0.0 111.098 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.52 -42.72 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 124.628 1.171 . . . . 0.0 108.951 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.0 -58.68 7.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.94 -38.18 16.08 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.501 1.12 . . . . 0.0 112.28 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.26 -46.16 81.63 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.903 0.881 . . . . 0.0 110.781 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.46 63.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.171 0.988 . . . . 0.0 112.452 -174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -84.24 13.22 5.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.92 0.782 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -115.04 -37.17 4.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 106.435 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -78.23 -49.05 14.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.105 1.762 . . . . 0.0 111.633 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.32 -47.85 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -55.44 -36.4 66.49 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 128.51 2.724 . . . . 0.0 111.62 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.13 -46.32 65.03 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.131 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.1 m -58.53 -31.89 68.36 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.522 0.729 . . . . 0.0 109.83 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.24 -27.36 35.26 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.191 0.596 . . . . 0.0 110.691 174.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -31.11 71.61 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.22 -33.83 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mmm -72.56 -45.38 59.51 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.883 1.273 . . . . 0.0 110.781 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -35.27 79.99 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -68.89 -39.8 79.53 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 126.897 2.079 . . . . 0.0 109.154 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 100.13 0.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 174.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.12 -60.55 0.66 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 107.111 -2.395 . . . . 0.0 107.111 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -81.46 59.12 3.92 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.841 1.256 . . . . 0.0 109.001 174.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -168.63 -52.9 0.02 OUTLIER 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 126.089 1.756 . . . . 0.0 107.022 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.2 -47.4 79.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.118 1.367 . . . . 0.0 108.785 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.38 -45.95 92.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.854 1.262 . . . . 0.0 109.221 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -66.86 -178.09 0.7 Allowed 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.117 1.367 . . . . 0.0 111.153 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 51.18 50.83 18.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.402 1.081 . . . . 0.0 109.96 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.259 0.4 OUTLIER -102.62 -122.0 0.18 Allowed 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -175.269 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.1 mt -82.77 63.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 173.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.168 1.787 . . . . 0.0 107.263 -174.692 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.588 -0.152 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -79.57 66.55 5.07 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.804 1.241 . . . . 0.0 109.426 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.58 12.51 1.0 Allowed 'General case' 0 C--N 1.339 0.147 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -174.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.9 mtp -67.21 -52.12 44.95 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 127.541 2.337 . . . . 0.0 108.297 174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.0 mtm -61.43 -37.46 83.62 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.845 1.258 . . . . 0.0 110.371 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.5 m -66.23 -35.58 80.79 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.936 0.894 . . . . 0.0 110.488 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.83 -72.54 0.29 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.587 0.755 . . . . 0.0 110.796 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 p -90.6 65.87 6.09 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.641 1.176 . . . . 0.0 109.865 -176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -56.88 115.04 2.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 110.06 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.94 53.63 22.03 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.23 -38.15 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.282 0.633 . . . . 0.0 110.305 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.05 40.56 2.42 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 174.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.97 161.18 54.24 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.72 -75.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.551 2.834 . . . . 0.0 108.799 174.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.7 -44.76 2.79 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 127.792 2.615 . . . . 0.0 111.693 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -111.18 -36.54 5.58 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 125.645 1.578 . . . . 0.0 109.598 175.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.2 tttt -61.36 -26.06 67.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 108.57 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.44 74.42 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.216 1.406 . . . . 0.0 108.799 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -68.66 -44.76 73.43 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.277 0.631 . . . . 0.0 111.249 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -68.29 -38.45 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.233 1.813 . . . . 0.0 109.309 -174.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -67.01 -51.77 50.81 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -38.72 57.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.204 0.911 . . . . 0.0 111.927 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.03 -45.1 86.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.491 1.116 . . . . 0.0 110.656 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -72.18 -38.94 68.98 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.13 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.0 mmm -63.03 -54.88 31.32 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -50.59 -37.88 42.49 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.791 0.682 . . . . 0.0 111.708 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -72.96 -43.28 62.46 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.03 1.332 . . . . 0.0 112.138 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 24' ' ' ALA . 54.6 t -68.74 -50.42 55.26 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 C-N-CA 125.222 1.409 . . . . 0.0 107.688 -174.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.285 88.0 m -56.12 -36.56 68.35 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 128.267 2.627 . . . . 0.0 111.094 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -41.31 71.92 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.027 0.531 . . . . 0.0 110.63 174.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 t -61.35 -36.41 80.1 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.2 -34.15 63.64 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.896 0.478 . . . . 0.0 110.423 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.05 74.91 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 118.769 0.713 . . . . 0.0 109.345 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 mt -64.41 -39.93 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 118.293 -0.861 . . . . 0.0 108.742 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.42 64.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.529 0.604 . . . . 0.0 111.197 -177.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -71.14 -43.72 67.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.34 -38.0 79.25 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.239 2.215 . . . . 0.0 109.811 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.24 79.57 1.31 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.49 -63.74 0.5 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 127.164 2.316 . . . . 0.0 107.921 -174.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -78.89 60.19 2.8 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 124.206 1.002 . . . . 0.0 110.346 176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -171.65 -50.35 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.707 2.003 . . . . 0.0 107.292 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -51.54 46.61 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.785 1.234 . . . . 0.0 110.589 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.37 -47.74 78.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.264 1.026 . . . . 0.0 109.061 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.33 -44.93 65.4 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 126.072 1.749 . . . . 0.0 110.079 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 73.91 67.51 0.1 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 128.133 2.573 . . . . 0.0 108.799 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -90.21 53.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.984 1.714 . . . . 0.0 108.041 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mp 73.51 85.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 128.382 2.673 . . . . 0.0 109.009 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.003 1.721 . . . . 0.0 108.625 174.682 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.431 0.634 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -79.78 72.34 6.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.086 1.355 . . . . 0.0 108.999 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.12 12.26 0.58 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -174.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 38.4 tpp -105.56 -48.7 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 128.027 2.531 . . . . 0.0 108.983 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.91 -39.75 90.84 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.533 1.133 . . . . 0.0 110.22 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.7 m -65.91 -41.9 90.84 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.819 0.847 . . . . 0.0 109.929 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.28 -53.79 38.85 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 123.745 0.818 . . . . 0.0 110.547 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.7 m -82.61 60.91 5.46 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.979 1.311 . . . . 0.0 108.61 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -61.5 -45.91 92.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.793 1.237 . . . . 0.0 111.686 -174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.13 42.98 96.24 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.958 0.79 . . . . 0.0 111.217 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.53 -34.49 70.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.638 0.775 . . . . 0.0 110.796 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.29 -42.93 99.7 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.41 -163.0 36.12 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.639 0.638 . . . . 0.0 112.691 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.99 -47.31 28.26 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 125.296 3.997 . . . . 0.0 111.333 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.24 48.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.757 -1.565 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -82.47 -30.04 30.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.201 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 7.8 mtpm? -61.66 -26.33 67.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 119.282 0.946 . . . . 0.0 110.172 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.76 -42.72 66.87 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -69.46 -39.59 77.66 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.261 0.224 . . . . 0.0 111.365 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -71.88 -36.61 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.413 1.485 . . . . 0.0 109.64 -174.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.04 -54.58 20.27 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.84 -40.05 40.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.63 0.772 . . . . 0.0 111.926 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -62.53 -46.03 90.26 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.269 1.028 . . . . 0.0 110.515 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.62 71.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.959 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.91 1.87 25.56 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.194 1.398 . . . . 0.0 111.382 174.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.1 m -109.24 -18.58 13.57 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.784 1.634 . . . . 0.0 107.993 173.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -97.93 -44.49 6.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.903 1.681 . . . . 0.0 112.261 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.2 -46.54 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.5 t -57.71 -38.99 76.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.65 1.18 . . . . 0.0 111.765 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.12 -41.17 90.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.297 0.639 . . . . 0.0 110.31 175.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.87 -29.55 70.27 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.85 -29.28 27.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.009 0.924 . . . . 0.0 111.34 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -34.22 77.35 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -60.56 -37.74 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.238 174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.12 -43.23 87.75 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.793 0.837 . . . . 0.0 110.636 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.2 -51.45 68.95 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.21 -28.57 62.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.638 2.375 . . . . 0.0 111.981 174.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.2 41.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.615 1.566 . . . . 0.0 112.65 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.65 -61.26 0.11 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 127.809 2.623 . . . . 0.0 108.717 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -83.98 41.61 0.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.123 0.969 . . . . 0.0 112.022 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -175.91 -55.25 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 127.039 2.135 . . . . 0.0 106.897 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -49.71 -61.73 1.96 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.681 1.592 . . . . 0.0 111.589 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -71.39 -39.71 71.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.739 0.816 . . . . 0.0 110.55 -176.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -52.47 -55.11 24.15 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.552 1.541 . . . . 0.0 111.871 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 60.61 51.03 5.25 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.621 1.569 . . . . 0.0 108.722 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.25 82.5 tttt -101.16 -116.57 0.17 Allowed 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.098 2.159 . . . . 0.0 106.724 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 pt -57.24 159.62 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 128.147 2.579 . . . . 0.0 111.055 174.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 125.113 1.365 . . . . 0.0 110.101 176.978 . . . . . . . . 0 0 . 1 stop_ save_