data_5mgq_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 5mgq _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.3 p -145.55 161.88 38.74 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -147.5 20.8 1.19 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.102 0.953 . . . . 0.0 110.196 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -99.39 161.25 13.72 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.275 -0.89 . . . . 0.0 108.927 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.84 -19.52 65.11 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 123.906 0.882 . . . . 0.0 111.209 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 m -85.49 -13.32 49.45 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.263 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 8.7 t -129.89 -41.53 1.3 Allowed 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 119.317 -0.953 . . . . 0.0 112.631 -168.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -27.27 69.23 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 8.1 p -67.77 -31.4 71.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.222 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -74.28 -37.4 63.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 26.4 mmm180 -65.92 -37.06 85.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' THR . 28.8 mt -62.77 -40.98 98.96 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.988 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -63.76 -34.02 76.97 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -80.42 -10.44 59.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.162 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -26.51 22.33 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.585 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -120.32 11.38 11.49 Favored 'General case' 0 N--CA 1.408 -2.525 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.249 -174.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.1 p -71.12 -38.31 70.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.263 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -143.89 -38.6 0.31 Allowed 'General case' 0 CA--C 1.487 -1.477 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.585 ' OG ' ' HA ' ' A' ' 16' ' ' LEU . 68.7 m 72.95 9.12 5.45 Favored 'General case' 0 C--O 1.187 -2.21 0 CA-C-N 114.189 -1.369 . . . . 0.0 113.795 171.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.603 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 14.8 m -60.89 -5.88 1.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.589 1.956 . . . . 0.0 114.089 -172.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -124.7 2.48 8.21 Favored 'General case' 0 N--CA 1.417 -2.083 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.955 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.17 -35.15 0.63 Allowed 'General case' 0 CA--C 1.482 -1.638 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -171.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CZ ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -45.16 88.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 126.438 1.895 . . . . 0.0 113.842 -177.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.81 34.56 71.5 Favored Glycine 0 C--N 1.291 -1.938 0 CA-C-N 113.364 -1.744 . . . . 0.0 112.767 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.56 -34.76 8.55 Favored 'General case' 0 N--CA 1.414 -2.271 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.92 -38.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.42 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -82.11 -26.59 33.43 Favored 'General case' 0 CA--C 1.463 -2.368 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 30' ' ' THR . 68.5 m -71.35 -24.76 62.16 Favored 'General case' 0 N--CA 1.41 -2.428 0 C-N-CA 117.382 -1.727 . . . . 0.0 111.837 -175.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.547 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 30.0 m 67.77 -30.23 0.16 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.357 1.463 . . . . 0.0 114.813 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 28' ' ' SER . 8.0 t -73.55 -2.62 23.55 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 124.415 1.086 . . . . 0.0 110.893 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -123.78 4.48 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 121.336 0.588 . . . . 0.0 110.327 -169.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' SER . 33.7 m -107.62 27.52 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-O 122.109 0.957 . . . . 0.0 110.457 -176.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.34 22.56 10.39 Favored Glycine 0 C--N 1.289 -2.066 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m 55.38 73.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.937 1.295 . . . . 0.0 111.535 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' A' ' 29' ' ' SER . 58.4 t-20 -134.29 89.68 2.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.476 -175.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -105.49 25.25 10.96 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.721 0.772 . . . . 0.0 109.243 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -146.75 152.55 38.98 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -139.77 23.13 2.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.197 0.522 . . . . 0.0 110.57 -174.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 t -99.12 158.02 15.96 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -18.68 64.42 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 124.278 1.031 . . . . 0.0 110.954 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.4 m -83.57 -18.06 39.61 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.355 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -126.6 -42.74 1.77 Allowed 'General case' 0 CA--C 1.496 -1.116 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.634 -168.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.94 67.13 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 9.1 p -68.2 -32.2 72.26 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.814 176.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -74.95 -35.5 62.12 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.767 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -67.55 -34.07 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.401 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 9' ' ' THR . 29.7 mt -63.22 -40.83 98.58 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.779 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -63.73 -33.47 75.71 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.401 HD21 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.27 -8.62 59.78 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.019 178.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -22.16 24.42 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -175.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -129.33 16.47 6.05 Favored 'General case' 0 N--CA 1.399 -3.011 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.372 -176.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.0 p -66.43 -60.18 2.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -123.8 14.08 9.29 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 5.6 m -77.43 1.57 18.73 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.859 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -49.68 -33.37 15.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.489 1.916 . . . . 0.0 111.626 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.652 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 70.8 m-20 -69.63 -18.19 63.58 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.712 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -126.7 14.44 7.52 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-O 122.811 1.291 . . . . 0.0 108.419 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 19' ' ' SER . 1.1 m-85 -118.7 29.99 7.43 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.069 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 110.6 56.26 0.51 Allowed Glycine 0 CA--C 1.474 -2.485 0 CA-C-N 114.468 -1.242 . . . . 0.0 112.296 -178.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -119.04 -58.72 1.92 Allowed 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 170.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 tt -71.54 -39.37 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.161 0 CA-C-N 112.828 -1.987 . . . . 0.0 108.987 172.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -65.5 -42.5 92.07 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.072 176.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -71.64 -31.88 67.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.683 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.549 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 26.9 t 72.86 -13.44 0.67 Allowed 'General case' 0 C--O 1.252 1.195 0 C-N-CA 125.042 1.337 . . . . 0.0 113.344 175.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -68.78 -21.01 64.37 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.12 -14.05 37.09 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.175 0.512 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -89.66 -15.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.04 21.87 40.56 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.438 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.549 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 15.9 m -106.36 -40.54 5.57 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -101.96 25.94 8.13 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.489 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.0 96.27 7.06 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.307 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.64 168.43 22.86 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -129.23 12.06 6.0 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.352 -0.939 . . . . 0.0 113.022 -168.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.0 t -102.31 155.12 18.44 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.716 -0.793 . . . . 0.0 109.519 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.43 65.21 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 124.666 1.186 . . . . 0.0 110.983 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.7 m -80.64 -17.42 51.28 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.803 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 20.4 t -127.88 -46.16 1.41 Allowed 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -167.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -63.63 -25.19 68.11 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 16.6 p -68.11 -32.26 72.44 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.841 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -73.89 -38.38 64.4 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 25.4 mmm180 -67.09 -32.4 73.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.861 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 9' ' ' THR . 31.2 mt -64.17 -41.42 97.14 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.486 173.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.25 68.0 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.258 0.551 . . . . 0.0 110.085 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.63 -8.01 59.48 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.015 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -22.04 22.74 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 19' ' ' SER . 0.4 OUTLIER -130.12 26.23 5.19 Favored 'General case' 0 N--CA 1.388 -3.558 0 CA-C-O 122.566 1.174 . . . . 0.0 110.67 -177.142 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.08 -67.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.274 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -102.92 2.82 35.69 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' ASN . 4.8 m -70.05 -11.71 61.08 Favored 'General case' 0 N--CA 1.4 -2.966 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.453 -176.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -64.41 -1.12 1.55 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.066 1.747 . . . . 0.0 111.625 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 19' ' ' SER . 45.9 m-80 -92.74 -4.38 53.22 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.407 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.48 -47.68 1.43 Allowed 'General case' 0 CA--C 1.488 -1.442 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 175.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -53.82 96.61 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 113.281 -1.781 . . . . 0.0 111.527 174.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 27' ' ' LEU . . . 70.03 29.68 70.5 Favored Glycine 0 C--N 1.291 -1.941 0 CA-C-N 112.616 -2.084 . . . . 0.0 113.037 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.33 -51.25 2.94 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 tt -88.76 -38.11 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.035 0 CA-C-N 112.764 -2.016 . . . . 0.0 108.494 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HB3' ' H ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -61.71 -39.82 92.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.419 178.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.9 t -90.66 -4.02 57.09 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m 62.09 17.41 9.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 112.978 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.9 t -81.94 -10.84 59.15 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 122.072 -0.392 . . . . 0.0 111.097 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -127.78 14.64 6.95 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.237 0.541 . . . . 0.0 110.741 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.69 9.58 9.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.385 0.612 . . . . 0.0 111.557 -174.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.3 36.07 10.17 Favored Glycine 0 C--N 1.293 -1.819 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -128.68 5.22 5.54 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.787 0.803 . . . . 0.0 110.393 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -139.77 71.81 1.38 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 122.211 1.005 . . . . 0.0 108.31 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -143.98 72.03 1.34 Allowed 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.398 -1.274 . . . . 0.0 107.746 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 CA--C 1.511 -0.53 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -147.77 168.15 22.87 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.56 8.07 3.6 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.359 0.599 . . . . 0.0 112.099 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.76 154.89 17.96 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.378 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.89 63.23 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 125.152 1.381 . . . . 0.0 111.801 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 m -84.82 -14.76 47.06 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-O 121.167 0.508 . . . . 0.0 110.736 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -125.69 -49.59 1.63 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -168.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.01 -25.03 67.68 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.472 0.653 . . . . 0.0 109.66 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 14.6 p -68.05 -32.28 72.52 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.357 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.49 -37.18 63.22 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -65.05 -36.58 84.81 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 9' ' ' THR . 42.7 mt -63.22 -41.42 99.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.478 173.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.625 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.95 -34.41 78.06 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.208 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.39 -8.04 59.67 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.075 0.55 . . . . 0.0 111.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -20.89 26.36 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -173.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 18.07 4.34 Favored 'General case' 0 N--CA 1.383 -3.797 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.962 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.7 p -73.92 -59.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -171.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -125.03 16.59 8.51 Favored 'General case' 0 CA--C 1.477 -1.831 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m -73.16 -4.76 34.85 Favored 'General case' 0 N--CA 1.416 -2.147 0 CA-C-N 112.691 -2.05 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -54.15 -24.46 18.07 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.275 2.23 . . . . 0.0 110.086 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.546 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 46.5 m-80 -70.16 -31.14 68.49 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.213 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -112.21 7.42 19.47 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-O 123.596 1.665 . . . . 0.0 109.163 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -100.13 -3.78 31.08 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 111.509 -2.587 . . . . 0.0 107.461 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.41 63.0 0.04 OUTLIER Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 114.449 -1.25 . . . . 0.0 114.565 173.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 21' ' ' ASN . . . -118.93 -46.17 2.55 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 167.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 tt -96.38 -39.06 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.092 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.03 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-O 121.011 0.434 . . . . 0.0 110.3 -174.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -53.17 -34.13 55.57 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.472 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 20.1 m 68.44 -10.63 0.44 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 173.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -57.66 -38.11 74.52 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.674 0.79 . . . . 0.0 111.532 -177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.82 -19.62 17.31 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.975 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 28.8 t -65.9 -35.36 74.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.916 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.52 -1.58 0.29 Allowed Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.414 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.9 m -84.0 -19.13 35.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.868 0.834 . . . . 0.0 112.741 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.95 25.35 3.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.032 0.444 . . . . 0.0 110.387 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -83.93 91.62 7.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.227 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt . . . . . 0 CA--C 1.505 -0.771 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -149.1 161.44 41.96 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -139.73 19.6 2.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -99.77 158.99 15.39 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.29 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -18.23 65.06 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 124.415 1.086 . . . . 0.0 111.37 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -88.24 -11.29 47.07 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.287 0.565 . . . . 0.0 111.541 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -128.2 -45.2 1.4 Allowed 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.677 -171.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.63 66.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.739 0.78 . . . . 0.0 109.302 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 5.6 p -69.0 -31.88 71.03 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.741 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.16 -34.11 61.56 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.87 -36.65 84.04 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.489 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.574 ' HB2' ' O ' ' A' ' 9' ' ' THR . 32.5 mt -62.73 -39.84 95.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.4 174.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.36 -33.11 75.19 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.18 -7.7 59.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -15.95 32.87 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -176.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.52 27.45 2.79 Favored 'General case' 0 N--CA 1.388 -3.531 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.42 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.8 p -89.47 -45.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.859 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.51 15.22 1.99 Allowed 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 21' ' ' ASN . 11.4 m -71.69 -38.73 70.56 Favored 'General case' 0 C--O 1.168 -3.212 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.89 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.514 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 50.8 m -65.98 6.62 0.36 Allowed 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 19' ' ' SER . 51.0 m-80 -130.19 -0.76 4.59 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 124.326 1.051 . . . . 0.0 110.056 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.47 -33.88 0.59 Allowed 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -169.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -47.75 93.08 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 126.268 1.827 . . . . 0.0 114.248 -175.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . 64.87 23.02 68.98 Favored Glycine 0 C--N 1.301 -1.38 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.463 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.37 -39.02 8.6 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 tt -97.82 -42.09 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.573 0 CA-C-N 113.668 -1.605 . . . . 0.0 108.692 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.33 92.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.207 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 50.0 m -114.52 -1.39 13.43 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.708 -175.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m 69.61 16.24 8.06 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 124.729 1.212 . . . . 0.0 111.927 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.296 9.7 t 54.44 0.42 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 127.077 2.151 . . . . 0.0 115.215 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -126.73 83.98 2.22 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.36 -11.66 11.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 113.511 -1.677 . . . . 0.0 109.174 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.74 -6.04 35.22 Favored Glycine 0 N--CA 1.434 -1.49 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 m -83.97 5.97 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.315 1.055 . . . . 0.0 109.484 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -75.25 -4.53 39.52 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.226 -1.352 . . . . 0.0 108.99 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -84.1 -8.87 58.98 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.15 0.98 . . . . 0.0 111.399 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 pttt . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p -154.96 159.95 40.76 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 121.333 -0.147 . . . . 0.0 110.652 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -144.75 18.37 1.64 Allowed 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -100.96 165.89 11.1 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.8 64.34 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.771 0.829 . . . . 0.0 110.513 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.0 m -79.89 -15.74 56.73 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.485 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 9.1 t -133.14 -38.49 0.96 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 118.415 -1.314 . . . . 0.0 114.323 -169.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.6 -27.31 69.11 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.511 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.9 p -68.29 -33.0 73.54 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.824 -1.535 . . . . 0.0 111.058 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -74.01 -36.87 64.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.516 -1.22 . . . . 0.0 107.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 22.2 mmm180 -64.56 -39.63 94.11 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 9' ' ' THR . 39.1 mt -62.61 -36.15 81.84 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.098 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -71.62 -33.27 68.83 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.423 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -80.5 -8.43 59.56 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.56 0.695 . . . . 0.0 111.015 -178.14 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -17.54 28.24 Favored 'General case' 0 N--CA 1.417 -2.093 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 -177.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 19' ' ' SER . 0.2 OUTLIER -134.63 19.34 3.57 Favored 'General case' 0 N--CA 1.406 -2.632 0 CA-C-O 121.95 0.881 . . . . 0.0 111.328 -175.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 7.7 p -75.45 -44.74 41.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.615 -169.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.07 23.05 3.04 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.732 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 46.3 m -113.5 15.47 19.03 Favored 'General case' 0 C--O 1.165 -3.365 0 CA-C-N 113.101 -1.863 . . . . 0.0 110.974 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 m -57.43 -17.04 11.13 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 126.158 1.783 . . . . 0.0 112.958 -172.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -122.56 15.45 10.33 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 124.063 0.945 . . . . 0.0 109.599 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.46 ' O ' HG21 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -136.85 -39.02 0.63 Allowed 'General case' 0 CA--C 1.482 -1.664 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -169.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.732 ' HD2' ' O ' ' A' ' 19' ' ' SER . 13.1 p90 -56.94 102.05 0.07 Allowed 'General case' 0 C--N 1.284 -2.279 0 CA-C-O 122.722 1.249 . . . . 0.0 112.592 -173.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.77 22.63 78.19 Favored Glycine 0 C--N 1.307 -1.061 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.225 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.46 -47.52 4.25 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 174.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 HG21 ' O ' ' A' ' 22' ' ' ASN . 7.6 tt -93.17 -37.72 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.061 0 CA-C-N 112.696 -2.047 . . . . 0.0 109.726 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -46.44 90.59 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 121.842 0.829 . . . . 0.0 108.822 178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -83.02 -17.19 44.22 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.293 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 m 63.44 18.6 11.16 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 125.492 1.517 . . . . 0.0 112.47 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -76.67 -13.33 60.06 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.887 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -115.39 11.18 15.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.491 0.662 . . . . 0.0 109.491 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.26 -29.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.266 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.77 -17.45 1.61 Allowed Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.842 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t -74.68 -48.57 25.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 59.26 90.39 0.05 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.101 0.876 . . . . 0.0 111.398 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -103.79 2.2 32.56 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.832 0.825 . . . . 0.0 111.413 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.89 153.91 47.84 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 120.717 0.294 . . . . 0.0 110.596 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -140.57 20.26 2.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.521 0.677 . . . . 0.0 110.616 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.4 t -99.68 157.71 16.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.35 64.64 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.455 1.102 . . . . 0.0 111.249 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 m -83.62 -16.59 44.64 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.977 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.94 -46.13 1.55 Allowed 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.694 -169.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -63.43 -26.3 68.67 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 121.549 0.69 . . . . 0.0 109.382 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 12.2 p -68.17 -32.85 73.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.781 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -74.46 -37.1 63.33 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -64.49 -39.85 94.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 38.2 mt -62.09 -40.71 96.78 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.773 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -67.72 -36.01 79.8 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.599 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.33 -8.37 58.34 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -25.15 24.23 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -175.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.16 12.98 7.18 Favored 'General case' 0 N--CA 1.394 -3.233 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.567 -175.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.5 p -67.49 -43.24 87.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.008 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -139.99 -51.74 0.5 Allowed 'General case' 0 CA--C 1.483 -1.624 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 18.4 m 67.66 5.22 4.28 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 114.256 -1.338 . . . . 0.0 112.288 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -54.47 -29.66 50.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.526 1.53 . . . . 0.0 111.757 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.675 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 4.1 t-20 -59.97 -37.32 79.28 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 123.423 1.583 . . . . 0.0 110.594 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.41 8.54 23.26 Favored 'General case' 0 C--N 1.262 -3.213 0 CA-C-O 123.035 1.397 . . . . 0.0 108.4 -174.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 19' ' ' SER . 2.0 m-85 -113.36 9.08 18.16 Favored 'General case' 0 N--CA 1.417 -2.076 0 CA-C-N 112.303 -2.226 . . . . 0.0 109.213 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 140.81 45.22 0.06 OUTLIER Glycine 0 N--CA 1.428 -1.872 0 CA-C-N 115.088 -0.96 . . . . 0.0 115.042 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 21' ' ' ASN . . . -115.95 -53.07 2.59 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 168.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.506 HG21 ' O ' ' A' ' 21' ' ' ASN . 8.1 tt -76.99 -34.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.663 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.293 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -79.25 -45.36 19.95 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.075 -176.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 30' ' ' THR . 24.9 m -73.05 -49.8 26.6 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.161 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 31' ' ' ASN . 31.7 m 66.08 -33.72 0.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.242 1.417 . . . . 0.0 113.834 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 28' ' ' SER . 9.0 t -74.65 29.55 0.09 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 126.284 1.834 . . . . 0.0 110.523 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 29' ' ' SER . 15.0 m120 -88.53 -21.75 23.96 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.46 -23.46 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.801 0 CA-C-N 112.652 -2.067 . . . . 0.0 112.169 -176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.99 -19.72 52.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.135 -1.031 . . . . 0.0 111.378 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 t -89.46 -49.01 6.94 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -101.84 88.57 3.41 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -75.11 89.21 2.47 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 114.12 -1.4 . . . . 0.0 113.699 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 pttt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.83 151.54 48.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -138.95 22.51 2.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.539 0.685 . . . . 0.0 111.355 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.6 t -99.24 163.93 12.35 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.251 -0.979 . . . . 0.0 108.63 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -18.93 65.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 124.156 0.982 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.0 m -85.99 -14.0 45.88 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.673 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -130.34 -39.15 1.34 Allowed 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.612 -1.235 . . . . 0.0 113.257 -169.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.2 -25.29 67.64 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.7 p -68.22 -31.37 70.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.913 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -74.23 -37.32 63.85 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -65.62 -36.89 85.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 9' ' ' THR . 31.8 mt -62.87 -37.69 87.88 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.548 174.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -68.55 -34.42 75.8 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 121.375 0.607 . . . . 0.0 109.717 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.02 -7.6 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 -19.02 29.82 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.32 20.63 3.17 Favored 'General case' 0 N--CA 1.383 -3.799 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.05 -175.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.9 p -72.61 -63.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.043 -174.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -120.54 2.53 10.71 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 23' ' ' PHE . 59.9 m -74.32 -11.32 60.23 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 113.42 -1.718 . . . . 0.0 110.521 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.639 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 1.6 m -47.21 -27.14 1.37 Allowed 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 127.483 2.313 . . . . 0.0 112.88 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -9.07 37.73 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.037 -176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -134.36 -36.25 0.89 Allowed 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CE1' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -55.14 99.5 0.03 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 CA-C-O 123.291 1.519 . . . . 0.0 113.149 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 67.06 34.28 86.19 Favored Glycine 0 C--N 1.302 -1.339 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.977 -174.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 -46.99 2.82 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 22' ' ' ASN . 4.4 tt -85.72 -40.57 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.034 0 CA-C-N 113.295 -1.775 . . . . 0.0 108.183 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -60.86 -44.01 97.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.151 175.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -75.81 -27.61 57.99 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.049 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m 70.74 2.22 4.05 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.125 1.37 . . . . 0.0 112.532 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.4 t -70.0 -27.51 64.75 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.234 0.54 . . . . 0.0 110.164 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -94.58 0.33 55.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.314 0.578 . . . . 0.0 110.213 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.84 -16.19 7.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.22 28.33 49.41 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.784 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -128.03 22.59 6.18 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.575 ' O ' ' HA ' ' A' ' 30' ' ' THR . 27.7 t-20 -171.46 130.0 0.7 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -103.71 19.84 19.13 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.352 0.596 . . . . 0.0 111.146 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.1 p -127.75 158.48 37.56 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -134.69 13.18 3.72 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.812 0.339 . . . . 0.0 111.847 -170.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -98.8 157.91 15.98 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.08 -18.96 65.74 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 124.417 1.087 . . . . 0.0 110.956 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -77.71 -20.86 52.85 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.404 0.621 . . . . 0.0 110.694 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 13.9 t -125.91 -48.95 1.61 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -166.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.85 -26.79 68.93 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.274 0.559 . . . . 0.0 109.74 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 p -67.42 -31.38 71.54 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.699 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -74.25 -37.5 63.75 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.47 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 21.7 mmm180 -71.47 -37.24 71.36 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -37.18 86.15 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.525 173.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.447 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.0 -37.45 85.96 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.692 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.467 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.8 OUTLIER -77.92 -9.19 58.96 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.364 0.602 . . . . 0.0 111.207 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.1 OUTLIER -84.74 -22.71 29.58 Favored 'General case' 0 N--CA 1.406 -2.66 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.67 24.26 4.01 Favored 'General case' 0 N--CA 1.391 -3.387 0 CA-C-O 121.912 0.863 . . . . 0.0 111.309 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG11 ' CD2' ' A' ' 18' ' ' HIS . 7.7 p -83.79 -47.28 17.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.114 -175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.609 ' CD2' HG11 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -158.59 29.24 0.23 Allowed 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 39.8 m -107.38 -2.61 20.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.032 -176.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.537 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 6.4 m -66.79 -2.62 5.3 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 127.21 2.204 . . . . 0.0 113.999 -168.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -115.81 -7.17 12.08 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.243 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.66 -36.67 1.07 Allowed 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -172.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -48.91 83.65 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 127.131 2.172 . . . . 0.0 114.432 -175.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 61.79 37.18 93.88 Favored Glycine 0 C--N 1.278 -2.688 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.788 -172.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.65 -47.78 3.97 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -94.68 -36.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.845 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.47 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.482 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -63.35 -38.54 91.55 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.795 0.838 . . . . 0.0 110.71 177.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 33.9 t -95.35 -3.87 46.44 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.336 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.487 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.5 m 60.16 13.4 3.83 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.447 1.499 . . . . 0.0 112.957 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -65.61 -27.93 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.247 0.619 . . . . 0.0 111.358 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.97 1.46 45.51 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.2 -12.31 8.49 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.81 -6.74 83.38 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.301 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.487 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 8.1 m -86.47 7.59 25.29 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -172.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.25 -27.01 17.09 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 m -94.36 -39.87 10.24 Favored 'General case' 0 N--CA 1.416 -2.166 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.745 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . 0.455 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.238 0.493 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.84 163.65 23.93 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.856 0.36 . . . . 0.0 111.057 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.27 25.33 0.47 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 t -99.16 160.76 14.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -19.13 64.66 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 124.446 1.099 . . . . 0.0 111.731 -176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -91.16 -10.4 41.92 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.416 0.627 . . . . 0.0 111.485 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -130.64 -39.28 1.27 Allowed 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 121.224 -0.923 . . . . 0.0 112.405 -170.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -67.83 -23.3 65.16 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 4.7 p -68.48 -31.15 70.23 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.464 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -74.54 -37.34 63.04 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.5 -36.23 82.21 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.554 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' THR . 29.3 mt -63.1 -40.88 98.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.837 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -64.36 -34.09 77.36 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.017 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.42 -8.03 59.67 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.274 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -90.99 -19.1 23.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.17 25.65 4.55 Favored 'General case' 0 N--CA 1.392 -3.348 0 CA-C-O 122.195 0.998 . . . . 0.0 110.616 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 12.5 p -83.51 -44.09 18.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.85 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.12 16.69 0.17 Allowed 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.1 m -94.6 -22.03 18.44 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.381 -164.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.473 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 5.0 m -65.35 12.19 0.05 Allowed 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 126.007 1.723 . . . . 0.0 113.77 -172.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 19' ' ' SER . 35.0 m-80 -135.61 -1.05 2.56 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 123.85 0.86 . . . . 0.0 110.974 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -137.81 -38.48 0.58 Allowed 'General case' 0 CA--C 1.485 -1.533 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -172.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -47.52 93.12 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.142 0 C-N-CA 126.173 1.789 . . . . 0.0 114.137 -176.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . 64.41 28.92 73.76 Favored Glycine 0 C--N 1.292 -1.866 0 CA-C-N 113.901 -1.5 . . . . 0.0 112.764 -175.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.18 -52.59 3.23 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 22' ' ' ASN . 6.3 tt -85.0 -38.57 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.222 0 CA-C-N 112.72 -2.036 . . . . 0.0 109.443 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -46.34 89.61 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 65.2 m -83.08 -15.66 49.99 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 m 62.0 38.65 14.04 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.724 0.773 . . . . 0.0 109.223 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -83.64 -5.52 59.2 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.037 -172.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.31 39.56 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.664 0.745 . . . . 0.0 112.065 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -78.37 -40.31 24.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.76 1.5 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.65 -1.262 . . . . 0.0 112.995 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.2 m -93.34 -57.82 2.49 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 62.57 20.01 11.67 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 113.62 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 t -95.71 98.08 10.19 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-O 121.881 0.848 . . . . 0.0 109.794 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 p -138.27 151.43 47.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -135.92 16.53 3.29 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.088 0.471 . . . . 0.0 111.188 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -99.26 157.98 16.01 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.05 -18.86 64.76 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 124.804 1.242 . . . . 0.0 111.305 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.1 m -82.96 -17.83 42.13 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 t -127.87 -44.82 1.46 Allowed 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.78 -24.21 66.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.732 0.777 . . . . 0.0 109.449 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 12.9 p -68.59 -30.89 69.74 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.781 176.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -74.11 -37.08 64.23 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -65.77 -36.51 83.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.846 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 9' ' ' THR . 37.5 mt -63.03 -40.86 98.99 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.698 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.74 74.35 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.98 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -80.15 -8.58 59.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.154 0.502 . . . . 0.0 111.608 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -28.83 23.26 Favored 'General case' 0 N--CA 1.408 -2.551 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.23 8.83 10.33 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.469 -174.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.64 -48.14 88.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.207 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -110.77 -19.66 12.76 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 21' ' ' ASN . 4.2 t 70.77 18.36 6.24 Favored 'General case' 0 C--O 1.203 -1.372 0 C-N-CA 126.044 1.738 . . . . 0.0 110.751 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 m -68.35 1.94 2.63 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.354 1.462 . . . . 0.0 110.562 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 19' ' ' SER . 43.2 m-80 -92.3 -7.71 47.2 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 113.999 -1.455 . . . . 0.0 108.443 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -50.63 1.25 Allowed 'General case' 0 N--CA 1.426 -1.633 0 C-N-CA 124.721 1.208 . . . . 0.0 108.311 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.4 m-85 -54.13 93.45 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 126.94 2.096 . . . . 0.0 111.545 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . 58.06 36.94 83.89 Favored Glycine 0 C--N 1.297 -1.605 0 CA-C-N 112.995 -1.911 . . . . 0.0 112.639 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.85 -56.8 2.24 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 tt -88.77 -34.11 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.797 0 CA-C-N 111.963 -2.381 . . . . 0.0 109.439 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -45.7 91.49 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.791 0.805 . . . . 0.0 109.084 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 69.0 m -89.81 -14.65 34.02 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.217 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m 61.8 37.16 15.76 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 122.052 0.93 . . . . 0.0 110.041 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -64.4 -23.02 67.14 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.248 -175.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -102.27 11.86 37.54 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.145 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.22 -7.59 9.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 122.286 1.041 . . . . 0.0 108.632 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.93 76.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.325 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -132.6 94.63 3.44 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.276 0.56 . . . . 0.0 111.435 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -146.72 -34.95 0.27 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.147 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.1 m -77.29 61.4 2.14 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.972 0.892 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.8 p -154.54 168.47 26.62 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 122.928 0.491 . . . . 0.0 109.992 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -145.9 21.71 1.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -173.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -100.31 157.87 16.29 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.39 64.77 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 124.355 1.062 . . . . 0.0 111.151 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -87.24 -13.07 44.84 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.436 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -127.2 -41.96 1.73 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.4 -169.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -60.16 -30.71 69.49 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 122.23 1.014 . . . . 0.0 108.322 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.8 p -68.75 -34.11 75.04 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.589 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -74.31 -39.99 62.52 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.692 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.558 ' HD3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -70.36 -30.96 68.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.174 177.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 16.8 mt -62.76 -40.62 97.83 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.121 173.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.571 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.84 -32.11 73.44 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.0 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.67 -8.55 59.72 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.741 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CZ ' ' HD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -88.17 -18.14 29.39 Favored 'General case' 0 N--CA 1.424 -1.765 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -175.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.27 15.6 4.58 Favored 'General case' 0 N--CA 1.394 -3.226 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.106 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.1 p -71.86 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.596 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -122.21 10.56 10.0 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.594 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 66.9 m -94.88 10.21 36.26 Favored 'General case' 0 CA--C 1.473 -1.999 0 CA-C-N 114.385 -1.279 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.543 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 19.5 m -56.48 -7.41 0.4 Allowed 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 127.578 2.351 . . . . 0.0 114.239 -171.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -126.5 8.66 7.08 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 122.582 0.353 . . . . 0.0 111.224 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -133.91 -39.96 0.86 Allowed 'General case' 0 CA--C 1.474 -1.945 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.594 ' HD2' ' O ' ' A' ' 19' ' ' SER . 2.8 p90 -51.22 102.58 0.04 OUTLIER 'General case' 0 C--N 1.288 -2.105 0 CA-C-O 123.019 1.39 . . . . 0.0 113.125 -176.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.47 27.17 73.53 Favored Glycine 0 C--N 1.296 -1.683 0 CA-C-N 113.305 -1.77 . . . . 0.0 112.977 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.41 -47.13 3.71 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 22' ' ' ASN . 5.2 tt -87.13 -40.87 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.872 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.103 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -47.63 85.06 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-O 121.582 0.706 . . . . 0.0 109.321 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -82.82 -12.1 57.73 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.686 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.466 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 29.3 t 63.58 21.57 12.79 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 125.048 1.339 . . . . 0.0 111.821 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -86.73 -3.23 59.02 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.007 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -115.82 9.54 15.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.77 1.271 . . . . 0.0 108.685 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.9 t -104.92 -18.19 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.282 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.79 19.33 61.75 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.466 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 28.4 m -111.74 -44.34 3.49 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.218 0.532 . . . . 0.0 110.9 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -120.46 29.52 7.41 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 m -78.23 84.94 4.41 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.676 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 C--O 1.245 0.835 0 CA-C-O 121.271 0.558 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p -155.18 168.84 25.7 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.723 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -144.36 18.21 1.71 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.598 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -98.21 160.82 14.04 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.05 65.55 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.911 0.884 . . . . 0.0 110.823 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 m -82.66 -14.59 54.41 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.886 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -131.19 -43.37 1.05 Allowed 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.233 -168.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -64.56 -23.76 67.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.6 p -68.61 -33.01 73.3 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.806 176.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -74.09 -38.63 63.83 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -65.73 -34.16 77.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.907 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 9' ' ' THR . 25.8 mt -64.03 -41.26 97.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.766 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.22 -34.35 77.82 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-O 121.375 0.607 . . . . 0.0 110.182 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -79.1 -7.98 58.6 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.636 178.716 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -20.21 26.41 Favored 'General case' 0 N--CA 1.417 -2.116 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -175.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.05 30.18 2.75 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.224 -175.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 10.2 p -86.11 -40.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.451 -173.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.04 22.5 0.97 Allowed 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . 3.7 m -91.46 111.32 22.78 Favored 'General case' 0 N--CA 1.405 -2.709 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.842 -169.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -122.98 -15.46 7.34 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.049 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -133.88 6.75 3.71 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.111 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.75 -14.25 3.2 Favored 'General case' 0 CA--C 1.47 -2.115 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -169.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' HB3' ' CB ' ' A' ' 19' ' ' SER . 31.4 p90 -71.01 96.45 1.31 Allowed 'General case' 0 N--CA 1.412 -2.327 0 CA-C-O 122.744 1.259 . . . . 0.0 111.637 -169.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 61.79 28.77 70.63 Favored Glycine 0 CA--C 1.5 -0.895 0 CA-C-N 112.991 -1.913 . . . . 0.0 111.622 -172.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.11 -43.21 5.32 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tt -94.36 -36.7 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.797 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.174 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.482 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -61.95 -44.93 95.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 m -117.41 67.81 0.75 Allowed 'General case' 0 N--CA 1.386 -3.662 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 m -68.86 -2.83 10.54 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.186 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 p -66.28 -27.41 67.92 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 124.865 1.266 . . . . 0.0 110.232 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -72.97 -22.7 60.65 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 109.595 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.11 -8.63 10.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 CA-C-N 114.308 -1.315 . . . . 0.0 108.03 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.06 14.97 75.95 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.858 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 m 60.84 25.66 15.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.08 0.952 . . . . 0.0 110.452 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.78 -34.04 75.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.58 1.552 . . . . 0.0 109.805 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -81.82 38.04 0.5 Allowed 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 125.442 1.497 . . . . 0.0 111.794 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt . . . . . 0 C--O 1.239 0.551 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.9 p -127.24 151.46 48.69 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -141.5 21.69 2.19 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.151 0.976 . . . . 0.0 110.507 -170.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -99.01 160.28 14.37 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -18.97 65.55 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.241 1.016 . . . . 0.0 110.761 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.7 m -83.97 -13.99 51.96 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.332 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -131.09 -42.47 1.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.987 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.68 66.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 122.101 0.953 . . . . 0.0 109.196 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 5.5 p -68.7 -31.13 70.0 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.974 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -74.98 -31.73 61.51 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.244 -1.344 . . . . 0.0 108.349 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -67.59 -38.44 84.01 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 9' ' ' THR . 48.3 mt -63.2 -38.44 91.2 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.623 173.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.04 -28.8 69.13 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.51 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.9 OUTLIER -81.96 -11.63 58.77 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.86 -16.83 39.92 Favored 'General case' 0 N--CA 1.418 -2.067 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -135.02 26.33 3.58 Favored 'General case' 0 N--CA 1.39 -3.435 0 CA-C-O 121.829 0.823 . . . . 0.0 110.919 -177.577 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 10.3 p -86.71 -41.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.625 0.726 . . . . 0.0 111.504 -174.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.19 18.09 1.38 Allowed 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . 3.7 m -101.54 104.43 15.33 Favored 'General case' 0 N--CA 1.398 -3.027 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.771 -167.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -128.1 -10.66 5.33 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.462 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -135.58 17.99 3.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.532 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.414 ' O ' HG21 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -137.82 -44.46 0.53 Allowed 'General case' 0 CA--C 1.466 -2.267 0 O-C-N 122.101 -0.374 . . . . 0.0 111.393 -170.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.46 ' HB3' ' CB ' ' A' ' 19' ' ' SER . 2.7 p90 -50.79 99.54 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 122.881 1.324 . . . . 0.0 112.467 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA2' ' H ' ' A' ' 28' ' ' SER . . . 68.07 12.54 62.97 Favored Glycine 0 C--N 1.292 -1.903 0 CA-C-N 113.493 -1.685 . . . . 0.0 113.597 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . -88.44 -32.53 18.25 Favored 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.414 HG21 ' O ' ' A' ' 22' ' ' ASN . 3.3 tt -103.86 -52.53 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.743 0 CA-C-N 112.562 -2.108 . . . . 0.0 108.827 173.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -49.0 67.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.769 1.228 . . . . 0.0 111.696 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.456 ' H ' ' HA2' ' A' ' 24' ' ' GLY . 48.3 m -101.66 -13.13 17.92 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-O 121.607 0.718 . . . . 0.0 109.524 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 25' ' ' ALA . 32.9 m 62.47 28.92 17.03 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.419 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 24' ' ' GLY . 10.2 t -55.55 -32.53 63.06 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-O 121.079 0.466 . . . . 0.0 112.065 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -102.87 16.46 26.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.443 0.639 . . . . 0.0 111.731 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.2 15.85 4.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 122.673 1.225 . . . . 0.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.98 52.84 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.102 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -77.1 -42.34 38.46 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -121.62 -26.0 5.0 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.62 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.9 p -76.46 96.62 4.11 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.208 0.528 . . . . 0.0 111.616 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.4 p -140.47 152.49 45.68 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 120.311 -0.555 . . . . 0.0 112.083 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -142.51 20.44 2.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.037 0.923 . . . . 0.0 110.116 -173.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -99.12 161.02 13.85 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.89 64.33 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.781 1.232 . . . . 0.0 111.651 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.2 m -88.51 -14.88 36.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.235 0.54 . . . . 0.0 111.443 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 8.1 t -128.22 -39.66 1.7 Allowed 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.933 -1.107 . . . . 0.0 112.892 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.02 -26.79 68.42 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -68.08 -31.0 70.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.095 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.78 -38.77 64.55 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 23.5 mmm180 -64.87 -39.78 94.08 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mt -63.07 -39.72 95.55 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.414 173.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -28.13 69.34 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.129 0.49 . . . . 0.0 110.418 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.9 OUTLIER -76.71 -16.81 59.41 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.742 0.782 . . . . 0.0 110.675 177.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.592 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -76.14 -20.65 57.41 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.023 173.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD11 ' CE2' ' A' ' 15' ' ' PHE . 2.7 mm? -95.35 -52.79 4.02 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -25.65 -60.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 127.939 2.496 . . . . 0.0 115.803 -168.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -139.22 16.24 2.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.592 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.4 m -102.94 -21.85 13.91 Favored 'General case' 0 N--CA 1.395 -3.209 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.001 -173.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.485 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 32.0 m -65.55 -2.69 3.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -174.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -120.26 3.03 10.88 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 122.965 0.506 . . . . 0.0 110.831 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.36 -39.25 0.53 Allowed 'General case' 0 CA--C 1.472 -2.038 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -169.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -49.68 94.6 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 125.807 1.643 . . . . 0.0 113.742 -174.261 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.33 38.94 94.09 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 113.225 -1.807 . . . . 0.0 112.419 -175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.01 -55.95 2.45 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 170.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.1 tt -85.28 -33.36 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.152 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.11 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -46.41 74.04 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.809 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -77.82 -28.77 50.38 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.078 -174.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m 76.34 17.07 2.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.615 1.166 . . . . 0.0 110.107 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.5 p 63.21 -36.6 0.15 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.05 2.54 . . . . 0.0 117.532 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -102.37 24.29 10.53 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 123.053 1.406 . . . . 0.0 109.732 -161.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.7 m -106.82 6.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.497 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.675 -176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.35 18.84 27.37 Favored Glycine 0 C--N 1.305 -1.173 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.331 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 m -141.77 95.51 2.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -153.3 105.7 2.9 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -94.77 11.14 32.48 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 121.765 0.793 . . . . 0.0 110.457 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.4 p -147.17 157.01 43.46 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -137.89 18.8 2.84 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 120.892 0.377 . . . . 0.0 111.84 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -98.85 157.54 16.23 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.461 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -19.11 64.67 Favored 'General case' 0 C--O 1.209 -1.076 0 C-N-CA 124.248 1.019 . . . . 0.0 110.867 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 m -80.19 -23.36 41.06 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.336 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -123.4 -48.76 1.94 Allowed 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -166.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.38 -28.72 69.97 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.532 0.682 . . . . 0.0 109.444 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 17.3 p -68.01 -31.53 71.29 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.848 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -74.88 -37.46 62.16 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.071 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -38.03 89.62 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 9' ' ' THR . 32.7 mt -62.89 -41.56 99.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.835 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -67.35 -29.36 68.89 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.183 0.516 . . . . 0.0 110.447 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -8.42 59.69 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.714 0.805 . . . . 0.0 111.14 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -19.03 25.99 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -132.15 18.38 4.51 Favored 'General case' 0 N--CA 1.379 -3.999 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.182 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 12.9 p -69.4 -58.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.256 -173.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -127.16 6.59 6.48 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 18.2 m -72.69 -13.08 61.27 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.591 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -58.64 -12.54 4.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.199 1.8 . . . . 0.0 112.844 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -88.0 -10.41 50.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.602 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.74 -41.7 2.78 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.7 m-85 -58.38 92.39 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.767 176.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' H ' ' HB3' ' A' ' 27' ' ' LEU . . . 85.55 23.4 47.19 Favored Glycine 0 C--N 1.273 -2.924 0 CA-C-N 111.912 -2.404 . . . . 0.0 113.304 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.42 -59.88 1.73 Allowed 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 171.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.6 tt -88.74 -33.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.251 0 CA-C-N 113.155 -1.839 . . . . 0.0 109.279 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' H ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -66.93 -44.01 81.8 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-O 121.637 0.732 . . . . 0.0 109.391 -177.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -82.94 -13.81 55.33 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.769 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 m 66.8 23.93 9.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.589 -1.641 . . . . 0.0 112.415 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 t -83.29 -19.47 36.24 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -127.17 78.65 1.83 Allowed 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.301 1.048 . . . . 0.0 109.417 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -142.91 -47.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.27 11.33 10.83 Favored Glycine 0 N--CA 1.437 -1.295 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.203 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 t -126.73 -52.16 1.46 Allowed 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.96 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -64.63 -33.78 76.74 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.712 0.767 . . . . 0.0 110.172 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 p -104.99 12.65 32.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.36 161.36 34.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.692 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -136.89 11.96 3.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.742 0.306 . . . . 0.0 111.672 -171.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -99.56 158.63 15.61 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.042 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -19.08 64.23 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 124.846 1.259 . . . . 0.0 110.98 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.9 m -80.96 -18.87 45.52 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.913 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -128.38 -44.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -167.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -25.56 67.45 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.662 0.744 . . . . 0.0 109.046 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.566 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 11.0 p -68.34 -31.31 70.62 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.61 176.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.19 -31.48 60.96 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -69.15 -36.9 77.92 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 9' ' ' THR . 39.6 mt -62.93 -39.37 94.38 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.2 172.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -64.32 -33.95 77.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.528 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.03 -8.4 59.35 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -19.28 27.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -176.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -134.49 25.45 3.77 Favored 'General case' 0 N--CA 1.39 -3.474 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.451 -177.252 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.2 p -78.41 -64.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.134 -176.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -119.16 -10.29 9.81 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -58.87 -20.14 48.4 Favored 'General case' 0 C--O 1.2 -1.51 0 C-N-CA 125.486 1.514 . . . . 0.0 111.261 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.609 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 3.8 m -55.57 -11.75 0.99 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 127.757 2.423 . . . . 0.0 113.259 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -112.78 -0.79 14.87 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.674 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.55 -39.87 0.51 Allowed 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.609 ' CE1' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -51.69 95.59 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.287 1.518 . . . . 0.0 112.736 -174.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 65.1 12.48 55.2 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.122 -1.854 . . . . 0.0 114.034 -175.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.76 -37.74 20.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -106.69 -47.6 8.47 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.354 0 CA-C-N 112.649 -2.068 . . . . 0.0 111.622 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 4.6 pp -75.46 -27.42 58.87 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -80.84 -19.27 44.94 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.916 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m 70.9 -28.69 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 114.701 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 t -57.84 -40.02 79.06 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 120.995 0.426 . . . . 0.0 110.049 175.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.68 0.71 29.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.8 t -98.86 -0.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 20.13 49.41 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.43 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 t -90.07 -11.76 40.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.455 ' ND2' ' HD1' ' A' ' 37' ' ' TYC . 26.2 t-20 -149.6 105.39 3.44 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -104.53 19.41 20.39 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.741 0.781 . . . . 0.0 109.798 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . 0.455 ' HD1' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.238 0.468 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 p -137.1 165.17 26.68 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -144.76 18.83 1.65 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.5 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -100.08 159.85 14.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.13 -19.01 65.54 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 121.562 0.696 . . . . 0.0 110.491 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -79.6 -15.37 57.76 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.93 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -131.68 -44.2 0.99 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -169.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 11' ' ' ARG . . . -62.24 -29.92 70.74 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 122.402 1.096 . . . . 0.0 109.254 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 17.7 p -68.9 -32.08 71.47 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.021 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -74.41 -39.53 62.59 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.2 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HD3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -67.61 -31.03 70.79 Favored 'General case' 0 C--O 1.211 -0.953 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.665 177.314 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.553 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 19.8 mt -62.23 -40.91 97.71 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.254 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.68 70.12 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 121.41 0.624 . . . . 0.0 109.93 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.465 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.9 OUTLIER -82.38 -8.37 59.63 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' HD2' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -88.7 -16.35 32.51 Favored 'General case' 0 CA--C 1.488 -1.418 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -173.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.4 19.01 3.97 Favored 'General case' 1 N--CA 1.372 -4.336 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.491 -177.217 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.56 -60.59 2.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.886 -174.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -119.9 -3.75 10.19 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 172.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.0 m -72.56 -19.96 61.41 Favored 'General case' 0 C--O 1.182 -2.482 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.315 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 2.9 p -55.18 -20.22 9.9 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 127.056 2.142 . . . . 0.0 113.333 -175.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -109.14 2.82 21.31 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.854 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.488 ' O ' HG21 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -135.59 -40.88 0.7 Allowed 'General case' 0 CA--C 1.474 -1.978 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -172.314 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -58.56 89.65 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.837 1.78 . . . . 0.0 113.196 -171.678 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.6 32.24 83.55 Favored Glycine 0 C--N 1.288 -2.121 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.003 -172.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 -41.42 5.3 Favored 'General case' 0 CA--C 1.474 -1.96 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.488 HG21 ' O ' ' A' ' 22' ' ' ASN . 7.8 tt -93.44 -37.45 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.05 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.339 176.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -46.77 76.3 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 121.714 0.769 . . . . 0.0 109.133 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -82.66 -22.44 34.62 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.699 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 34' ' ' SER . 2.6 m 60.08 30.52 19.98 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.843 1.257 . . . . 0.0 110.857 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 p -62.84 -39.26 93.83 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 125.05 1.34 . . . . 0.0 111.923 -174.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -102.06 4.25 39.55 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.272 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t -93.52 -16.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.4 23.34 56.83 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.309 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 29' ' ' SER . 2.1 m -106.13 -60.61 1.62 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 73.58 81.83 0.12 Allowed 'General case' 0 CA--C 1.487 -1.463 0 C-N-CA 124.737 1.215 . . . . 0.0 109.19 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -104.84 -4.53 22.13 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 113.536 -1.666 . . . . 0.0 110.72 -172.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.2 p -155.53 155.07 32.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -138.86 22.9 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.846 0.831 . . . . 0.0 110.935 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -99.71 158.41 15.79 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.79 -19.07 64.72 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.289 1.035 . . . . 0.0 111.178 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.2 m -85.14 -13.75 49.16 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.282 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -129.86 -40.53 1.35 Allowed 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.009 -1.076 . . . . 0.0 113.047 -169.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.81 -24.52 66.93 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.901 0.858 . . . . 0.0 108.975 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.3 p -69.16 -31.52 70.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.71 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.15 -36.67 64.13 Favored 'General case' 0 CA--C 1.488 -1.441 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.63 -38.37 90.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 9' ' ' THR . 35.5 mt -63.06 -41.2 99.41 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.867 174.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.72 -31.37 71.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -8.64 59.72 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.477 0.711 . . . . 0.0 110.843 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -23.53 24.64 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.55 17.44 6.41 Favored 'General case' 0 N--CA 1.385 -3.701 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.539 -177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 13.5 p -65.31 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -121.04 2.89 10.48 Favored 'General case' 0 CA--C 1.478 -1.81 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 9.9 m -65.4 -17.24 64.38 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.866 -176.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -62.62 1.3 0.39 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.654 1.582 . . . . 0.0 112.535 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 19' ' ' SER . 43.4 m-80 -100.93 -3.59 29.3 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.897 0.856 . . . . 0.0 110.1 -178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.66 -47.34 1.41 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 19' ' ' SER . 6.3 m-85 -54.32 97.16 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.048 -1.887 . . . . 0.0 111.495 174.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 62.15 37.44 94.5 Favored Glycine 0 C--N 1.294 -1.778 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.357 -176.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.41 -54.84 2.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 N-CA-C 105.169 -2.16 . . . . 0.0 105.169 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -84.02 -38.14 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.862 0 CA-C-N 112.569 -2.105 . . . . 0.0 107.983 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.497 179.315 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -93.39 0.1 56.73 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.567 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m 53.95 38.39 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-O 121.749 0.785 . . . . 0.0 111.761 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 p -104.29 9.84 35.78 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.772 0.796 . . . . 0.0 111.81 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.77 2.34 44.03 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 t -80.11 -30.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.44 -27.69 1.81 Allowed Glycine 0 N--CA 1.434 -1.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.44 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 61.53 33.35 18.47 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.127 0.971 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -80.0 93.06 5.66 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.758 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -90.65 -2.84 57.84 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.785 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.9 pttt . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.1 p -135.48 166.58 22.85 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -150.91 20.85 0.78 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.055 0.455 . . . . 0.0 111.537 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.4 t -100.07 159.8 14.82 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -19.75 65.52 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.806 0.843 . . . . 0.0 110.996 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -80.23 -14.94 58.03 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.488 0.661 . . . . 0.0 110.742 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 11.4 t -131.15 -45.7 1.01 Allowed 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 119.602 -0.839 . . . . 0.0 113.208 -167.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.76 -26.56 68.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.331 0.586 . . . . 0.0 109.51 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 9.7 p -67.26 -32.97 74.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.871 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -73.95 -38.78 64.13 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.753 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 13.3 mmm180 -66.07 -35.53 80.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 9' ' ' THR . 26.0 mt -63.53 -40.87 98.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.524 173.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.72 -29.63 69.66 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.867 0.841 . . . . 0.0 109.748 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.458 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -82.0 -8.6 59.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.203 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -14.99 33.93 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.09 17.46 4.58 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.466 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.08 -65.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.722 -173.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -117.51 -1.79 11.62 Favored 'General case' 0 CA--C 1.484 -1.575 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -25.04 59.8 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 125.943 1.697 . . . . 0.0 110.926 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 3.5 m -55.06 -20.11 8.78 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.692 1.997 . . . . 0.0 112.269 -175.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -103.56 0.44 30.89 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.428 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.27 -43.11 0.51 Allowed 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -50.12 86.7 0.0 OUTLIER 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 126.309 1.844 . . . . 0.0 114.291 -172.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . 61.67 27.75 68.73 Favored Glycine 0 C--O 1.197 -2.175 0 CA-C-N 113.305 -1.77 . . . . 0.0 111.934 -171.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.8 -43.58 7.8 Favored 'General case' 0 CA--C 1.468 -2.186 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -88.72 -40.79 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.474 0 CA-C-N 112.294 -2.23 . . . . 0.0 109.013 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -62.32 -46.89 86.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.313 178.164 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 44.1 t -83.41 -10.26 58.52 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.277 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m 61.15 16.23 7.0 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 124.536 1.134 . . . . 0.0 111.999 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.1 t -64.68 -33.51 76.12 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.139 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -98.73 -15.08 19.48 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.96 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.95 -30.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.35 4.62 30.61 Favored Glycine 0 N--CA 1.434 -1.442 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.214 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -76.55 -11.48 59.88 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -75.77 -27.76 58.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.396 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -87.63 6.16 35.98 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.611 0.72 . . . . 0.0 112.547 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.3 p -145.55 161.88 38.74 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -147.5 20.8 1.19 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.102 0.953 . . . . 0.0 110.196 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -99.39 161.25 13.72 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.275 -0.89 . . . . 0.0 108.927 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.84 -19.52 65.11 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 123.906 0.882 . . . . 0.0 111.209 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 m -85.49 -13.32 49.45 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.263 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 8.7 t -129.89 -41.53 1.3 Allowed 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 119.317 -0.953 . . . . 0.0 112.631 -168.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -27.27 69.23 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 8.1 p -67.77 -31.4 71.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.222 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 43.8 mm-40 -74.28 -37.4 63.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 26.4 mmm180 -65.92 -37.06 85.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' THR . 28.8 mt -62.77 -40.98 98.96 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.988 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -63.76 -34.02 76.97 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.42 -10.44 59.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.162 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -26.51 22.33 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.622 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -120.32 11.38 11.49 Favored 'General case' 0 N--CA 1.408 -2.525 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.249 -174.452 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.1 p -71.12 -38.31 70.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.263 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -143.89 -38.6 0.31 Allowed 'General case' 0 CA--C 1.487 -1.477 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' A' ' 16' ' ' LEU . 68.7 m 72.95 9.12 5.45 Favored 'General case' 0 C--O 1.187 -2.21 0 CA-C-N 114.189 -1.369 . . . . 0.0 113.795 171.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 14.8 m -60.89 -5.88 1.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.589 1.956 . . . . 0.0 114.089 -172.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -124.7 2.48 8.21 Favored 'General case' 0 N--CA 1.417 -2.083 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.955 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.17 -35.15 0.63 Allowed 'General case' 0 CA--C 1.482 -1.638 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -171.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -45.16 88.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 126.438 1.895 . . . . 0.0 113.842 -177.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.81 34.56 71.5 Favored Glycine 0 C--N 1.291 -1.938 0 CA-C-N 113.364 -1.744 . . . . 0.0 112.767 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.56 -34.76 8.55 Favored 'General case' 0 N--CA 1.414 -2.271 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.92 -38.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.42 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -82.11 -26.59 33.43 Favored 'General case' 0 CA--C 1.463 -2.368 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -71.35 -24.76 62.16 Favored 'General case' 0 N--CA 1.41 -2.428 0 C-N-CA 117.382 -1.727 . . . . 0.0 111.837 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 32' ' ' VAL . 30.0 m 67.77 -30.23 0.16 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.357 1.463 . . . . 0.0 114.813 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -73.55 -2.62 23.55 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 124.415 1.086 . . . . 0.0 110.893 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -123.78 4.48 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 121.336 0.588 . . . . 0.0 110.327 -169.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 29' ' ' SER . 33.7 m -107.62 27.52 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-O 122.109 0.957 . . . . 0.0 110.457 -176.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.34 22.56 10.39 Favored Glycine 0 C--N 1.289 -2.066 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m 55.38 73.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.937 1.295 . . . . 0.0 111.535 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 29' ' ' SER . 58.4 t-20 -134.29 89.68 2.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.476 -175.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -105.49 25.25 10.96 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.721 0.772 . . . . 0.0 109.243 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -146.75 152.55 38.98 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -139.77 23.13 2.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.197 0.522 . . . . 0.0 110.57 -174.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 t -99.12 158.02 15.96 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -18.68 64.42 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 124.278 1.031 . . . . 0.0 110.954 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.4 m -83.57 -18.06 39.61 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.355 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -126.6 -42.74 1.77 Allowed 'General case' 0 CA--C 1.496 -1.116 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.634 -168.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.94 67.13 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 9.1 p -68.2 -32.2 72.26 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.814 176.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -74.95 -35.5 62.12 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.767 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -67.55 -34.07 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.401 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 9' ' ' THR . 29.7 mt -63.22 -40.83 98.58 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.779 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -63.73 -33.47 75.71 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.403 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.27 -8.62 59.78 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.019 178.535 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -22.16 24.42 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -175.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.33 16.47 6.05 Favored 'General case' 0 N--CA 1.399 -3.011 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.372 -176.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.0 p -66.43 -60.18 2.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -123.8 14.08 9.29 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -77.43 1.57 18.73 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.859 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 2.3 m -49.68 -33.37 15.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.489 1.916 . . . . 0.0 111.626 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.596 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 70.8 m-20 -69.63 -18.19 63.58 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.712 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -126.7 14.44 7.52 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-O 122.811 1.291 . . . . 0.0 108.419 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 1.1 m-85 -118.7 29.99 7.43 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.069 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 110.6 56.26 0.51 Allowed Glycine 0 CA--C 1.474 -2.485 0 CA-C-N 114.468 -1.242 . . . . 0.0 112.296 -178.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -119.04 -58.72 1.92 Allowed 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 170.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 26' ' ' ILE . 1.6 tt -71.54 -39.37 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.161 0 CA-C-N 112.828 -1.987 . . . . 0.0 108.987 172.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -65.5 -42.5 92.07 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.072 176.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -71.64 -31.88 67.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.683 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 26.9 t 72.86 -13.44 0.67 Allowed 'General case' 0 C--O 1.252 1.195 0 C-N-CA 125.042 1.337 . . . . 0.0 113.344 175.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -68.78 -21.01 64.37 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.12 -14.05 37.09 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.175 0.512 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -89.66 -15.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.04 21.87 40.56 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.438 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.56 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 15.9 m -106.36 -40.54 5.57 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -101.96 25.94 8.13 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.489 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.0 96.27 7.06 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.307 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.64 168.43 22.86 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -129.23 12.06 6.0 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.352 -0.939 . . . . 0.0 113.022 -168.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.0 t -102.31 155.12 18.44 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.716 -0.793 . . . . 0.0 109.519 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.43 65.21 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 124.666 1.186 . . . . 0.0 110.983 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.7 m -80.64 -17.42 51.28 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.803 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 20.4 t -127.88 -46.16 1.41 Allowed 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -167.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -63.63 -25.19 68.11 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 16.6 p -68.11 -32.26 72.44 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.841 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -73.89 -38.38 64.4 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 25.4 mmm180 -67.09 -32.4 73.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.861 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' THR . 31.2 mt -64.17 -41.42 97.14 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.486 173.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.25 68.0 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.258 0.551 . . . . 0.0 110.085 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 17' ' ' VAL . 5.0 m-20 -80.63 -8.01 59.48 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.015 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -22.04 22.74 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' HA ' ' HB2' ' A' ' 19' ' ' SER . 0.4 OUTLIER -130.12 26.23 5.19 Favored 'General case' 0 N--CA 1.388 -3.558 0 CA-C-O 122.566 1.174 . . . . 0.0 110.67 -177.142 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.539 HG13 ' H ' ' A' ' 18' ' ' HIS . 9.5 p -72.08 -67.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.274 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' H ' HG13 ' A' ' 17' ' ' VAL . 7.9 m80 -102.92 2.82 35.69 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 4.8 m -70.05 -11.71 61.08 Favored 'General case' 0 N--CA 1.4 -2.966 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.453 -176.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.592 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 9.7 m -64.41 -1.12 1.55 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.066 1.747 . . . . 0.0 111.625 -178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -92.74 -4.38 53.22 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.407 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.48 -47.68 1.43 Allowed 'General case' 0 CA--C 1.488 -1.442 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 175.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 9.8 m-85 -53.82 96.61 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 113.281 -1.781 . . . . 0.0 111.527 174.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' H ' ' HB3' ' A' ' 27' ' ' LEU . . . 70.03 29.68 70.5 Favored Glycine 0 C--N 1.291 -1.941 0 CA-C-N 112.616 -2.084 . . . . 0.0 113.037 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.33 -51.25 2.94 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 tt -88.76 -38.11 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.035 0 CA-C-N 112.764 -2.016 . . . . 0.0 108.494 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' H ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -61.71 -39.82 92.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.419 178.527 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.9 t -90.66 -4.02 57.09 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m 62.09 17.41 9.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 112.978 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.9 t -81.94 -10.84 59.15 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 122.072 -0.392 . . . . 0.0 111.097 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -127.78 14.64 6.95 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.237 0.541 . . . . 0.0 110.741 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.69 9.58 9.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.385 0.612 . . . . 0.0 111.557 -174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.3 36.07 10.17 Favored Glycine 0 C--N 1.293 -1.819 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -128.68 5.22 5.54 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.787 0.803 . . . . 0.0 110.393 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -139.77 71.81 1.38 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 122.211 1.005 . . . . 0.0 108.31 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -143.98 72.03 1.34 Allowed 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.398 -1.274 . . . . 0.0 107.746 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 CA--C 1.511 -0.53 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -147.77 168.15 22.87 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.56 8.07 3.6 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.359 0.599 . . . . 0.0 112.099 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.76 154.89 17.96 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.378 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.89 63.23 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 125.152 1.381 . . . . 0.0 111.801 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 m -84.82 -14.76 47.06 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-O 121.167 0.508 . . . . 0.0 110.736 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -125.69 -49.59 1.63 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -168.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.01 -25.03 67.68 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.472 0.653 . . . . 0.0 109.66 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 14.6 p -68.05 -32.28 72.52 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.357 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.49 -37.18 63.22 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -65.05 -36.58 84.81 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 9' ' ' THR . 42.7 mt -63.22 -41.42 99.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.478 173.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.633 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.95 -34.41 78.06 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.208 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -81.39 -8.04 59.67 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.075 0.55 . . . . 0.0 111.483 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -20.89 26.36 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -173.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 18.07 4.34 Favored 'General case' 0 N--CA 1.383 -3.797 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.962 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.7 p -73.92 -59.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -171.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -125.03 16.59 8.51 Favored 'General case' 0 CA--C 1.477 -1.831 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m -73.16 -4.76 34.85 Favored 'General case' 0 N--CA 1.416 -2.147 0 CA-C-N 112.691 -2.05 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 1.2 m -54.15 -24.46 18.07 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.275 2.23 . . . . 0.0 110.086 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.631 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 46.5 m-80 -70.16 -31.14 68.49 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.213 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -112.21 7.42 19.47 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-O 123.596 1.665 . . . . 0.0 109.163 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 1.9 m-85 -100.13 -3.78 31.08 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 111.509 -2.587 . . . . 0.0 107.461 172.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 139.41 63.0 0.04 OUTLIER Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 114.449 -1.25 . . . . 0.0 114.565 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 21' ' ' ASN . . . -118.93 -46.17 2.55 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 167.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 tt -96.38 -39.06 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.092 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.03 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-O 121.011 0.434 . . . . 0.0 110.3 -174.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -53.17 -34.13 55.57 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.472 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 20.1 m 68.44 -10.63 0.44 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 173.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -57.66 -38.11 74.52 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.674 0.79 . . . . 0.0 111.532 -177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.82 -19.62 17.31 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.975 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 28.8 t -65.9 -35.36 74.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.916 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.52 -1.58 0.29 Allowed Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.414 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.9 m -84.0 -19.13 35.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.868 0.834 . . . . 0.0 112.741 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.95 25.35 3.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.032 0.444 . . . . 0.0 110.387 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -83.93 91.62 7.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.227 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt . . . . . 0 CA--C 1.505 -0.771 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -149.1 161.44 41.96 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -139.73 19.6 2.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -99.77 158.99 15.39 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.29 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -18.23 65.06 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 124.415 1.086 . . . . 0.0 111.37 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -88.24 -11.29 47.07 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.287 0.565 . . . . 0.0 111.541 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -128.2 -45.2 1.4 Allowed 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.677 -171.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.63 66.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.739 0.78 . . . . 0.0 109.302 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 5.6 p -69.0 -31.88 71.03 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.741 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.16 -34.11 61.56 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.87 -36.65 84.04 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.489 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' THR . 32.5 mt -62.73 -39.84 95.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.4 174.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.36 -33.11 75.19 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.428 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.18 -7.7 59.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -15.95 32.87 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -176.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -137.52 27.45 2.79 Favored 'General case' 0 N--CA 1.388 -3.531 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.42 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.8 p -89.47 -45.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.859 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -142.51 15.22 1.99 Allowed 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' ASN . 11.4 m -71.69 -38.73 70.56 Favored 'General case' 0 C--O 1.168 -3.212 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.89 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 50.8 m -65.98 6.62 0.36 Allowed 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 19' ' ' SER . 51.0 m-80 -130.19 -0.76 4.59 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 124.326 1.051 . . . . 0.0 110.056 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.437 ' O ' HG22 ' A' ' 26' ' ' ILE . 1.9 m-20 -139.47 -33.88 0.59 Allowed 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -169.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -47.75 93.08 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 126.268 1.827 . . . . 0.0 114.248 -175.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . 64.87 23.02 68.98 Favored Glycine 0 C--N 1.301 -1.38 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.463 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 30' ' ' THR . . . -99.37 -39.02 8.6 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' ASN . 3.9 tt -97.82 -42.09 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.573 0 CA-C-N 113.668 -1.605 . . . . 0.0 108.692 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.33 92.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.207 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 50.0 m -114.52 -1.39 13.43 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.708 -175.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m 69.61 16.24 8.06 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 124.729 1.212 . . . . 0.0 111.927 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.46 ' HB ' ' HA ' ' A' ' 25' ' ' ALA 0.296 9.7 t 54.44 0.42 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 127.077 2.151 . . . . 0.0 115.215 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -126.73 83.98 2.22 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.36 -11.66 11.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 113.511 -1.677 . . . . 0.0 109.174 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.74 -6.04 35.22 Favored Glycine 0 N--CA 1.434 -1.49 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 m -83.97 5.97 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.315 1.055 . . . . 0.0 109.484 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -75.25 -4.53 39.52 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.226 -1.352 . . . . 0.0 108.99 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -84.1 -8.87 58.98 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.15 0.98 . . . . 0.0 111.399 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 pttt . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p -154.96 159.95 40.76 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 121.333 -0.147 . . . . 0.0 110.652 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -144.75 18.37 1.64 Allowed 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -100.96 165.89 11.1 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.8 64.34 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.771 0.829 . . . . 0.0 110.513 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.0 m -79.89 -15.74 56.73 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.485 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 9.1 t -133.14 -38.49 0.96 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 118.415 -1.314 . . . . 0.0 114.323 -169.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.6 -27.31 69.11 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.9 p -68.29 -33.0 73.54 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.824 -1.535 . . . . 0.0 111.058 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -74.01 -36.87 64.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.516 -1.22 . . . . 0.0 107.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 22.2 mmm180 -64.56 -39.63 94.11 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 9' ' ' THR . 39.1 mt -62.61 -36.15 81.84 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.098 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -71.62 -33.27 68.83 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.423 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.5 -8.43 59.56 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.56 0.695 . . . . 0.0 111.015 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -17.54 28.24 Favored 'General case' 0 N--CA 1.417 -2.093 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 -177.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 19' ' ' SER . 0.2 OUTLIER -134.63 19.34 3.57 Favored 'General case' 0 N--CA 1.406 -2.632 0 CA-C-O 121.95 0.881 . . . . 0.0 111.328 -175.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 7.7 p -75.45 -44.74 41.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.615 -169.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.07 23.05 3.04 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.725 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 46.3 m -113.5 15.47 19.03 Favored 'General case' 0 C--O 1.165 -3.365 0 CA-C-N 113.101 -1.863 . . . . 0.0 110.974 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 12.4 m -57.43 -17.04 11.13 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 126.158 1.783 . . . . 0.0 112.958 -172.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -122.56 15.45 10.33 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 124.063 0.945 . . . . 0.0 109.599 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' O ' HG22 ' A' ' 26' ' ' ILE . 2.4 m-20 -136.85 -39.02 0.63 Allowed 'General case' 0 CA--C 1.482 -1.664 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -169.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HD2' ' O ' ' A' ' 19' ' ' SER . 13.1 p90 -56.94 102.05 0.07 Allowed 'General case' 0 C--N 1.284 -2.279 0 CA-C-O 122.722 1.249 . . . . 0.0 112.592 -173.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 70.77 22.63 78.19 Favored Glycine 0 C--N 1.307 -1.061 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.225 -176.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.46 -47.52 4.25 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 174.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.6 tt -93.17 -37.72 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.061 0 CA-C-N 112.696 -2.047 . . . . 0.0 109.726 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -60.87 -46.44 90.59 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 121.842 0.829 . . . . 0.0 108.822 178.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -83.02 -17.19 44.22 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.293 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 m 63.44 18.6 11.16 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 125.492 1.517 . . . . 0.0 112.47 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -76.67 -13.33 60.06 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.887 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -115.39 11.18 15.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.491 0.662 . . . . 0.0 109.491 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.26 -29.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.266 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.77 -17.45 1.61 Allowed Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.842 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t -74.68 -48.57 25.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 59.26 90.39 0.05 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.101 0.876 . . . . 0.0 111.398 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -103.79 2.2 32.56 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.832 0.825 . . . . 0.0 111.413 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.89 153.91 47.84 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 120.717 0.294 . . . . 0.0 110.596 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -140.57 20.26 2.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.521 0.677 . . . . 0.0 110.616 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.4 t -99.68 157.71 16.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.35 64.64 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.455 1.102 . . . . 0.0 111.249 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 m -83.62 -16.59 44.64 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.977 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.94 -46.13 1.55 Allowed 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.694 -169.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -63.43 -26.3 68.67 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 121.549 0.69 . . . . 0.0 109.382 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 12.2 p -68.17 -32.85 73.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.781 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -74.46 -37.1 63.33 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -64.49 -39.85 94.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 38.2 mt -62.09 -40.71 96.78 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.773 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -67.72 -36.01 79.8 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.599 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -78.33 -8.37 58.34 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.407 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -25.15 24.23 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -175.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -127.16 12.98 7.18 Favored 'General case' 0 N--CA 1.394 -3.233 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.567 -175.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.5 p -67.49 -43.24 87.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.008 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -139.99 -51.74 0.5 Allowed 'General case' 0 CA--C 1.483 -1.624 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' ' 16' ' ' LEU . 18.4 m 67.66 5.22 4.28 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 114.256 -1.338 . . . . 0.0 112.288 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.578 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 14.3 m -54.47 -29.66 50.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.526 1.53 . . . . 0.0 111.757 -175.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.577 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 4.1 t-20 -59.97 -37.32 79.28 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 123.423 1.583 . . . . 0.0 110.594 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -110.41 8.54 23.26 Favored 'General case' 0 C--N 1.262 -3.213 0 CA-C-O 123.035 1.397 . . . . 0.0 108.4 -174.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.578 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 2.0 m-85 -113.36 9.08 18.16 Favored 'General case' 0 N--CA 1.417 -2.076 0 CA-C-N 112.303 -2.226 . . . . 0.0 109.213 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 140.81 45.22 0.06 OUTLIER Glycine 0 N--CA 1.428 -1.872 0 CA-C-N 115.088 -0.96 . . . . 0.0 115.042 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -115.95 -53.07 2.59 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 168.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASN . 8.1 tt -76.99 -34.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.663 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.293 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -79.25 -45.36 19.95 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.075 -176.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 30' ' ' THR . 24.9 m -73.05 -49.8 26.6 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.161 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.7 m 66.08 -33.72 0.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.242 1.417 . . . . 0.0 113.834 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 28' ' ' SER . 9.0 t -74.65 29.55 0.09 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 126.284 1.834 . . . . 0.0 110.523 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -88.53 -21.75 23.96 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.46 -23.46 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.801 0 CA-C-N 112.652 -2.067 . . . . 0.0 112.169 -176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.99 -19.72 52.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.135 -1.031 . . . . 0.0 111.378 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 t -89.46 -49.01 6.94 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -101.84 88.57 3.41 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -75.11 89.21 2.47 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 114.12 -1.4 . . . . 0.0 113.699 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 pttt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.83 151.54 48.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -138.95 22.51 2.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.539 0.685 . . . . 0.0 111.355 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.6 t -99.24 163.93 12.35 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.251 -0.979 . . . . 0.0 108.63 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -18.93 65.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 124.156 0.982 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.0 m -85.99 -14.0 45.88 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.673 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -130.34 -39.15 1.34 Allowed 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.612 -1.235 . . . . 0.0 113.257 -169.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.2 -25.29 67.64 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.7 p -68.22 -31.37 70.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.913 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -74.23 -37.32 63.85 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -65.62 -36.89 85.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' THR . 31.8 mt -62.87 -37.69 87.88 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.548 174.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -68.55 -34.42 75.8 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 121.375 0.607 . . . . 0.0 109.717 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -79.02 -7.6 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 -19.02 29.82 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.32 20.63 3.17 Favored 'General case' 0 N--CA 1.383 -3.799 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.05 -175.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.432 HG13 ' H ' ' A' ' 18' ' ' HIS . 11.9 p -72.61 -63.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.043 -174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' H ' HG13 ' A' ' 17' ' ' VAL . 48.4 m80 -120.54 2.53 10.71 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 174.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' A' ' 23' ' ' PHE . 59.9 m -74.32 -11.32 60.23 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 113.42 -1.718 . . . . 0.0 110.521 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.715 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 1.6 m -47.21 -27.14 1.37 Allowed 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 127.483 2.313 . . . . 0.0 112.88 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -9.07 37.73 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.037 -176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.561 ' O ' HG22 ' A' ' 26' ' ' ILE . 2.2 m-20 -134.36 -36.25 0.89 Allowed 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.715 ' CE1' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -55.14 99.5 0.03 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 CA-C-O 123.291 1.519 . . . . 0.0 113.149 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 67.06 34.28 86.19 Favored Glycine 0 C--N 1.302 -1.339 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.977 -174.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 -46.99 2.82 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 22' ' ' ASN . 4.4 tt -85.72 -40.57 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.034 0 CA-C-N 113.295 -1.775 . . . . 0.0 108.183 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -60.86 -44.01 97.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.151 175.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -75.81 -27.61 57.99 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.049 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m 70.74 2.22 4.05 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.125 1.37 . . . . 0.0 112.532 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.4 t -70.0 -27.51 64.75 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.234 0.54 . . . . 0.0 110.164 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -94.58 0.33 55.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.314 0.578 . . . . 0.0 110.213 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.84 -16.19 7.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.22 28.33 49.41 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.784 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -128.03 22.59 6.18 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 30' ' ' THR . 27.7 t-20 -171.46 130.0 0.7 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -103.71 19.84 19.13 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.352 0.596 . . . . 0.0 111.146 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.1 p -127.75 158.48 37.56 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -134.69 13.18 3.72 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.812 0.339 . . . . 0.0 111.847 -170.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -98.8 157.91 15.98 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.08 -18.96 65.74 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 124.417 1.087 . . . . 0.0 110.956 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -77.71 -20.86 52.85 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.404 0.621 . . . . 0.0 110.694 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 13.9 t -125.91 -48.95 1.61 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -166.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.85 -26.79 68.93 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.274 0.559 . . . . 0.0 109.74 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 p -67.42 -31.38 71.54 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.699 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -74.25 -37.5 63.75 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.47 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 21.7 mmm180 -71.47 -37.24 71.36 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -37.18 86.15 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.525 173.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.0 -37.45 85.96 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.692 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 3.0 m-20 -77.92 -9.19 58.96 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.364 0.602 . . . . 0.0 111.207 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.1 OUTLIER -84.74 -22.71 29.58 Favored 'General case' 0 N--CA 1.406 -2.66 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.67 24.26 4.01 Favored 'General case' 0 N--CA 1.391 -3.387 0 CA-C-O 121.912 0.863 . . . . 0.0 111.309 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 7.7 p -83.79 -47.28 17.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.114 -175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' ND1' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -158.59 29.24 0.23 Allowed 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 39.8 m -107.38 -2.61 20.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.032 -176.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 6.4 m -66.79 -2.62 5.3 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 127.21 2.204 . . . . 0.0 113.999 -168.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -115.81 -7.17 12.08 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.243 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -132.66 -36.67 1.07 Allowed 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -172.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -48.91 83.65 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 127.131 2.172 . . . . 0.0 114.432 -175.067 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . 61.79 37.18 93.88 Favored Glycine 0 C--N 1.278 -2.688 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.788 -172.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.65 -47.78 3.97 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -94.68 -36.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.845 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.47 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -63.35 -38.54 91.55 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.795 0.838 . . . . 0.0 110.71 177.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 33.9 t -95.35 -3.87 46.44 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.336 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.564 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.5 m 60.16 13.4 3.83 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.447 1.499 . . . . 0.0 112.957 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -65.61 -27.93 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.247 0.619 . . . . 0.0 111.358 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -98.97 1.46 45.51 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.2 -12.31 8.49 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.81 -6.74 83.38 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.301 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 8.1 m -86.47 7.59 25.29 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -172.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.25 -27.01 17.09 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 m -94.36 -39.87 10.24 Favored 'General case' 0 N--CA 1.416 -2.166 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.745 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYC . . . . . 0.461 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.238 0.493 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.84 163.65 23.93 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.856 0.36 . . . . 0.0 111.057 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.27 25.33 0.47 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 t -99.16 160.76 14.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -19.13 64.66 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 124.446 1.099 . . . . 0.0 111.731 -176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -91.16 -10.4 41.92 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.416 0.627 . . . . 0.0 111.485 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -130.64 -39.28 1.27 Allowed 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 121.224 -0.923 . . . . 0.0 112.405 -170.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -67.83 -23.3 65.16 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 4.7 p -68.48 -31.15 70.23 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.464 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -74.54 -37.34 63.04 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.5 -36.23 82.21 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.554 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' THR . 29.3 mt -63.1 -40.88 98.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.837 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -64.36 -34.09 77.36 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.017 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.42 -8.03 59.67 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.274 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -90.99 -19.1 23.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.17 25.65 4.55 Favored 'General case' 0 N--CA 1.392 -3.348 0 CA-C-O 122.195 0.998 . . . . 0.0 110.616 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 12.5 p -83.51 -44.09 18.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.85 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.12 16.69 0.17 Allowed 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.1 m -94.6 -22.03 18.44 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.381 -164.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.529 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 5.0 m -65.35 12.19 0.05 Allowed 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 126.007 1.723 . . . . 0.0 113.77 -172.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 19' ' ' SER . 35.0 m-80 -135.61 -1.05 2.56 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 123.85 0.86 . . . . 0.0 110.974 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.469 ' O ' HG22 ' A' ' 26' ' ' ILE . 2.5 m-20 -137.81 -38.48 0.58 Allowed 'General case' 0 CA--C 1.485 -1.533 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -172.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -47.52 93.12 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.142 0 C-N-CA 126.173 1.789 . . . . 0.0 114.137 -176.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . 64.41 28.92 73.76 Favored Glycine 0 C--N 1.292 -1.866 0 CA-C-N 113.901 -1.5 . . . . 0.0 112.764 -175.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 30' ' ' THR . . . -101.18 -52.59 3.23 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 174.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' ASN . 6.3 tt -85.0 -38.57 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.222 0 CA-C-N 112.72 -2.036 . . . . 0.0 109.443 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -59.86 -46.34 89.61 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 65.2 m -83.08 -15.66 49.99 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 m 62.0 38.65 14.04 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.724 0.773 . . . . 0.0 109.223 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 25' ' ' ALA . 8.9 t -83.64 -5.52 59.2 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.037 -172.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.31 39.56 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.664 0.745 . . . . 0.0 112.065 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -78.37 -40.31 24.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.76 1.5 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.65 -1.262 . . . . 0.0 112.995 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.2 m -93.34 -57.82 2.49 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 62.57 20.01 11.67 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 113.62 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 t -95.71 98.08 10.19 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-O 121.881 0.848 . . . . 0.0 109.794 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 p -138.27 151.43 47.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -135.92 16.53 3.29 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.088 0.471 . . . . 0.0 111.188 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -99.26 157.98 16.01 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.05 -18.86 64.76 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 124.804 1.242 . . . . 0.0 111.305 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.1 m -82.96 -17.83 42.13 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 t -127.87 -44.82 1.46 Allowed 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.78 -24.21 66.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.732 0.777 . . . . 0.0 109.449 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 12.9 p -68.59 -30.89 69.74 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.781 176.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -74.11 -37.08 64.23 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -65.77 -36.51 83.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.846 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 9' ' ' THR . 37.5 mt -63.03 -40.86 98.99 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.698 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.74 74.35 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.98 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -80.15 -8.58 59.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.154 0.502 . . . . 0.0 111.608 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -28.83 23.26 Favored 'General case' 0 N--CA 1.408 -2.551 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -121.23 8.83 10.33 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.469 -174.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.64 -48.14 88.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.207 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -110.77 -19.66 12.76 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 21' ' ' ASN . 4.2 t 70.77 18.36 6.24 Favored 'General case' 0 C--O 1.203 -1.372 0 C-N-CA 126.044 1.738 . . . . 0.0 110.751 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 11.3 m -68.35 1.94 2.63 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.354 1.462 . . . . 0.0 110.562 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 19' ' ' SER . 17.4 m120 -92.3 -7.71 47.2 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 113.999 -1.455 . . . . 0.0 108.443 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -128.75 -50.63 1.25 Allowed 'General case' 0 N--CA 1.426 -1.633 0 C-N-CA 124.721 1.208 . . . . 0.0 108.311 177.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 7.4 m-85 -54.13 93.45 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 126.94 2.096 . . . . 0.0 111.545 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 58.06 36.94 83.89 Favored Glycine 0 C--N 1.297 -1.605 0 CA-C-N 112.995 -1.911 . . . . 0.0 112.639 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.85 -56.8 2.24 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 26' ' ' ILE . 5.0 tt -88.77 -34.11 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.797 0 CA-C-N 111.963 -2.381 . . . . 0.0 109.439 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -62.75 -45.7 91.49 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.791 0.805 . . . . 0.0 109.084 178.439 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 69.0 m -89.81 -14.65 34.02 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.217 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m 61.8 37.16 15.76 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 122.052 0.93 . . . . 0.0 110.041 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -64.4 -23.02 67.14 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.248 -175.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -102.27 11.86 37.54 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.145 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.22 -7.59 9.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 122.286 1.041 . . . . 0.0 108.632 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.93 76.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.325 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -132.6 94.63 3.44 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.276 0.56 . . . . 0.0 111.435 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -146.72 -34.95 0.27 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.147 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.1 m -77.29 61.4 2.14 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.972 0.892 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.8 p -154.54 168.47 26.62 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 122.928 0.491 . . . . 0.0 109.992 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -145.9 21.71 1.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -173.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -100.31 157.87 16.29 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.39 64.77 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 124.355 1.062 . . . . 0.0 111.151 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -87.24 -13.07 44.84 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.436 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -127.2 -41.96 1.73 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.4 -169.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 11' ' ' ARG . . . -60.16 -30.71 69.49 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 122.23 1.014 . . . . 0.0 108.322 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.402 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.8 p -68.75 -34.11 75.04 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.589 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -74.31 -39.99 62.52 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.692 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HD3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -70.36 -30.96 68.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.174 177.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.531 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 16.8 mt -62.76 -40.62 97.83 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.121 173.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.84 -32.11 73.44 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.0 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -81.67 -8.55 59.72 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.741 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CZ ' ' HD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -88.17 -18.14 29.39 Favored 'General case' 0 N--CA 1.424 -1.765 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -175.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.27 15.6 4.58 Favored 'General case' 0 N--CA 1.394 -3.226 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.106 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.575 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.1 p -71.86 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.596 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' H ' HG13 ' A' ' 17' ' ' VAL . 8.2 m80 -122.21 10.56 10.0 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.589 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 66.9 m -94.88 10.21 36.26 Favored 'General case' 0 CA--C 1.473 -1.999 0 CA-C-N 114.385 -1.279 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 19.5 m -56.48 -7.41 0.4 Allowed 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 127.578 2.351 . . . . 0.0 114.239 -171.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -126.5 8.66 7.08 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 122.582 0.353 . . . . 0.0 111.224 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' ILE . 2.1 m-20 -133.91 -39.96 0.86 Allowed 'General case' 0 CA--C 1.474 -1.945 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 2.8 p90 -51.22 102.58 0.04 OUTLIER 'General case' 0 C--N 1.288 -2.105 0 CA-C-O 123.019 1.39 . . . . 0.0 113.125 -176.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 67.47 27.17 73.53 Favored Glycine 0 C--N 1.296 -1.683 0 CA-C-N 113.305 -1.77 . . . . 0.0 112.977 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.41 -47.13 3.71 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 22' ' ' ASN . 5.2 tt -87.13 -40.87 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.872 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.103 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -60.05 -47.63 85.06 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-O 121.582 0.706 . . . . 0.0 109.321 178.034 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -82.82 -12.1 57.73 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.686 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 29.3 t 63.58 21.57 12.79 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 125.048 1.339 . . . . 0.0 111.821 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -86.73 -3.23 59.02 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.007 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -115.82 9.54 15.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.77 1.271 . . . . 0.0 108.685 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 29' ' ' SER . 42.9 t -104.92 -18.19 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.282 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.79 19.33 61.75 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 28.4 m -111.74 -44.34 3.49 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.218 0.532 . . . . 0.0 110.9 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -120.46 29.52 7.41 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 m -78.23 84.94 4.41 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.676 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 C--O 1.245 0.835 0 CA-C-O 121.271 0.558 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p -155.18 168.84 25.7 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.723 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -144.36 18.21 1.71 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.598 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -98.21 160.82 14.04 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.05 65.55 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.911 0.884 . . . . 0.0 110.823 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 m -82.66 -14.59 54.41 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.886 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -131.19 -43.37 1.05 Allowed 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.233 -168.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -64.56 -23.76 67.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.6 p -68.61 -33.01 73.3 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.806 176.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -74.09 -38.63 63.83 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -65.73 -34.16 77.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.907 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' THR . 25.8 mt -64.03 -41.26 97.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.766 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.22 -34.35 77.82 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-O 121.375 0.607 . . . . 0.0 110.182 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -79.1 -7.98 58.6 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.636 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -20.21 26.41 Favored 'General case' 0 N--CA 1.417 -2.116 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -175.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.05 30.18 2.75 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.224 -175.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 10.2 p -86.11 -40.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.451 -173.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.04 22.5 0.97 Allowed 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -91.46 111.32 22.78 Favored 'General case' 0 N--CA 1.405 -2.709 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.842 -169.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -122.98 -15.46 7.34 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.049 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -133.88 6.75 3.71 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.111 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -131.75 -14.25 3.2 Favored 'General case' 0 CA--C 1.47 -2.115 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -169.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -71.01 96.45 1.31 Allowed 'General case' 0 N--CA 1.412 -2.327 0 CA-C-O 122.744 1.259 . . . . 0.0 111.637 -169.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.79 28.77 70.63 Favored Glycine 0 CA--C 1.5 -0.895 0 CA-C-N 112.991 -1.913 . . . . 0.0 111.622 -172.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.11 -43.21 5.32 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tt -94.36 -36.7 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.797 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.174 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -44.93 95.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 m -117.41 67.81 0.75 Allowed 'General case' 0 N--CA 1.386 -3.662 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 m -68.86 -2.83 10.54 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.186 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 p -66.28 -27.41 67.92 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 124.865 1.266 . . . . 0.0 110.232 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -72.97 -22.7 60.65 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 109.595 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.11 -8.63 10.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 CA-C-N 114.308 -1.315 . . . . 0.0 108.03 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.06 14.97 75.95 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.858 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 m 60.84 25.66 15.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.08 0.952 . . . . 0.0 110.452 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.78 -34.04 75.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.58 1.552 . . . . 0.0 109.805 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -81.82 38.04 0.5 Allowed 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 125.442 1.497 . . . . 0.0 111.794 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt . . . . . 0 C--O 1.239 0.551 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.9 p -127.24 151.46 48.69 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -141.5 21.69 2.19 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.151 0.976 . . . . 0.0 110.507 -170.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -99.01 160.28 14.37 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -18.97 65.55 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.241 1.016 . . . . 0.0 110.761 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.7 m -83.97 -13.99 51.96 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.332 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -131.09 -42.47 1.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.987 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.68 66.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 122.101 0.953 . . . . 0.0 109.196 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 5.5 p -68.7 -31.13 70.0 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.974 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -74.98 -31.73 61.51 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.244 -1.344 . . . . 0.0 108.349 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -67.59 -38.44 84.01 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 9' ' ' THR . 48.3 mt -63.2 -38.44 91.2 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.623 173.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.04 -28.8 69.13 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.51 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' O ' HG12 ' A' ' 17' ' ' VAL . 4.0 m-20 -81.96 -11.63 58.77 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.86 -16.83 39.92 Favored 'General case' 0 N--CA 1.418 -2.067 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -135.02 26.33 3.58 Favored 'General case' 0 N--CA 1.39 -3.435 0 CA-C-O 121.829 0.823 . . . . 0.0 110.919 -177.577 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 10.3 p -86.71 -41.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.625 0.726 . . . . 0.0 111.504 -174.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -146.19 18.09 1.38 Allowed 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.451 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . 3.7 m -101.54 104.43 15.33 Favored 'General case' 0 N--CA 1.398 -3.027 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.771 -167.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -128.1 -10.66 5.33 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.462 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -135.58 17.99 3.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.532 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' HG22 ' A' ' 26' ' ' ILE . 4.3 m-20 -137.82 -44.46 0.53 Allowed 'General case' 0 CA--C 1.466 -2.267 0 O-C-N 122.101 -0.374 . . . . 0.0 111.393 -170.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.451 ' HB3' ' CB ' ' A' ' 19' ' ' SER . 2.7 p90 -50.79 99.54 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 122.881 1.324 . . . . 0.0 112.467 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' H ' ' A' ' 28' ' ' SER . . . 68.07 12.54 62.97 Favored Glycine 0 C--N 1.292 -1.903 0 CA-C-N 113.493 -1.685 . . . . 0.0 113.597 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . -88.44 -32.53 18.25 Favored 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' ASN . 3.3 tt -103.86 -52.53 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.743 0 CA-C-N 112.562 -2.108 . . . . 0.0 108.827 173.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -49.0 67.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.769 1.228 . . . . 0.0 111.696 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.467 ' H ' ' HA2' ' A' ' 24' ' ' GLY . 48.3 m -101.66 -13.13 17.92 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-O 121.607 0.718 . . . . 0.0 109.524 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 25' ' ' ALA . 32.9 m 62.47 28.92 17.03 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.419 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 25' ' ' ALA . 10.2 t -55.55 -32.53 63.06 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-O 121.079 0.466 . . . . 0.0 112.065 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -102.87 16.46 26.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.443 0.639 . . . . 0.0 111.731 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.2 15.85 4.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 122.673 1.225 . . . . 0.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.98 52.84 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.102 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -77.1 -42.34 38.46 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -121.62 -26.0 5.0 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.62 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.9 p -76.46 96.62 4.11 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.208 0.528 . . . . 0.0 111.616 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.4 p -140.47 152.49 45.68 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 120.311 -0.555 . . . . 0.0 112.083 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -142.51 20.44 2.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.037 0.923 . . . . 0.0 110.116 -173.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -99.12 161.02 13.85 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.89 64.33 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.781 1.232 . . . . 0.0 111.651 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.2 m -88.51 -14.88 36.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.235 0.54 . . . . 0.0 111.443 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 8.1 t -128.22 -39.66 1.7 Allowed 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.933 -1.107 . . . . 0.0 112.892 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.02 -26.79 68.42 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -68.08 -31.0 70.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.095 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.78 -38.77 64.55 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 23.5 mmm180 -64.87 -39.78 94.08 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mt -63.07 -39.72 95.55 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.414 173.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -64.86 -28.13 69.34 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.129 0.49 . . . . 0.0 110.418 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.71 -16.81 59.41 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.742 0.782 . . . . 0.0 110.675 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.623 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -76.14 -20.65 57.41 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.023 173.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 13' ' ' ALA . 2.7 mm? -95.35 -52.79 4.02 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -25.65 -60.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 127.939 2.496 . . . . 0.0 115.803 -168.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -139.22 16.24 2.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.623 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.4 m -102.94 -21.85 13.91 Favored 'General case' 0 N--CA 1.395 -3.209 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.001 -173.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.503 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 32.0 m -65.55 -2.69 3.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -174.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -120.26 3.03 10.88 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 122.965 0.506 . . . . 0.0 110.831 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' O ' HG22 ' A' ' 26' ' ' ILE . 2.7 m-20 -138.36 -39.25 0.53 Allowed 'General case' 0 CA--C 1.472 -2.038 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -169.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -49.68 94.6 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 125.807 1.643 . . . . 0.0 113.742 -174.261 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 66.33 38.94 94.09 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 113.225 -1.807 . . . . 0.0 112.419 -175.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.01 -55.95 2.45 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 170.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.1 tt -85.28 -33.36 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.152 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.11 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.18 -46.41 74.04 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.809 178.643 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -77.82 -28.77 50.38 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.078 -174.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m 76.34 17.07 2.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.615 1.166 . . . . 0.0 110.107 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.5 p 63.21 -36.6 0.15 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.05 2.54 . . . . 0.0 117.532 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -102.37 24.29 10.53 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 123.053 1.406 . . . . 0.0 109.732 -161.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.7 m -106.82 6.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.497 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.675 -176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.35 18.84 27.37 Favored Glycine 0 C--N 1.305 -1.173 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.331 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 m -141.77 95.51 2.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -153.3 105.7 2.9 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -94.77 11.14 32.48 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 121.765 0.793 . . . . 0.0 110.457 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.4 p -147.17 157.01 43.46 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -137.89 18.8 2.84 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 120.892 0.377 . . . . 0.0 111.84 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -98.85 157.54 16.23 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.461 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -19.11 64.67 Favored 'General case' 0 C--O 1.209 -1.076 0 C-N-CA 124.248 1.019 . . . . 0.0 110.867 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 m -80.19 -23.36 41.06 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.336 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -123.4 -48.76 1.94 Allowed 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -166.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.38 -28.72 69.97 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.532 0.682 . . . . 0.0 109.444 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 17.3 p -68.01 -31.53 71.29 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.848 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -74.88 -37.46 62.16 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.071 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -38.03 89.62 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' THR . 32.7 mt -62.89 -41.56 99.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.835 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -67.35 -29.36 68.89 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.183 0.516 . . . . 0.0 110.447 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 17' ' ' VAL . 5.5 m-20 -81.75 -8.42 59.69 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.714 0.805 . . . . 0.0 111.14 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -19.03 25.99 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -132.15 18.38 4.51 Favored 'General case' 0 N--CA 1.379 -3.999 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.182 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 12.9 p -69.4 -58.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.256 -173.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -127.16 6.59 6.48 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 m -72.69 -13.08 61.27 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.591 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -58.64 -12.54 4.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.199 1.8 . . . . 0.0 112.844 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -88.0 -10.41 50.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.602 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.74 -41.7 2.78 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 7.7 m-85 -58.38 92.39 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.767 176.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' H ' ' HB3' ' A' ' 27' ' ' LEU . . . 85.55 23.4 47.19 Favored Glycine 0 C--N 1.273 -2.924 0 CA-C-N 111.912 -2.404 . . . . 0.0 113.304 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.42 -59.88 1.73 Allowed 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 171.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 26' ' ' ILE . 7.6 tt -88.74 -33.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.251 0 CA-C-N 113.155 -1.839 . . . . 0.0 109.279 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' H ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -66.93 -44.01 81.8 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-O 121.637 0.732 . . . . 0.0 109.391 -177.546 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -82.94 -13.81 55.33 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.769 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 m 66.8 23.93 9.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.589 -1.641 . . . . 0.0 112.415 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 t -83.29 -19.47 36.24 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -127.17 78.65 1.83 Allowed 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.301 1.048 . . . . 0.0 109.417 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -142.91 -47.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.27 11.33 10.83 Favored Glycine 0 N--CA 1.437 -1.295 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.203 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 t -126.73 -52.16 1.46 Allowed 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.96 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -64.63 -33.78 76.74 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.712 0.767 . . . . 0.0 110.172 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 p -104.99 12.65 32.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.36 161.36 34.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.692 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -136.89 11.96 3.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.742 0.306 . . . . 0.0 111.672 -171.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -99.56 158.63 15.61 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.042 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -19.08 64.23 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 124.846 1.259 . . . . 0.0 110.98 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.9 m -80.96 -18.87 45.52 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.913 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -128.38 -44.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -167.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -25.56 67.45 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.662 0.744 . . . . 0.0 109.046 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 11.0 p -68.34 -31.31 70.62 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.61 176.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.19 -31.48 60.96 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -69.15 -36.9 77.92 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 9' ' ' THR . 39.6 mt -62.93 -39.37 94.38 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.2 172.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -64.32 -33.95 77.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.528 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.03 -8.4 59.35 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -19.28 27.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -176.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -134.49 25.45 3.77 Favored 'General case' 0 N--CA 1.39 -3.474 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.451 -177.252 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.2 p -78.41 -64.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.134 -176.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.444 ' H ' HG13 ' A' ' 17' ' ' VAL . 48.9 m80 -119.16 -10.29 9.81 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 23' ' ' PHE . 13.7 m -58.87 -20.14 48.4 Favored 'General case' 0 C--O 1.2 -1.51 0 C-N-CA 125.486 1.514 . . . . 0.0 111.261 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.666 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 3.8 m -55.57 -11.75 0.99 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 127.757 2.423 . . . . 0.0 113.259 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -112.78 -0.79 14.87 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.674 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -138.55 -39.87 0.51 Allowed 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.666 ' CE1' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -51.69 95.59 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.287 1.518 . . . . 0.0 112.736 -174.485 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 65.1 12.48 55.2 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.122 -1.854 . . . . 0.0 114.034 -175.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.76 -37.74 20.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -106.69 -47.6 8.47 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.354 0 CA-C-N 112.649 -2.068 . . . . 0.0 111.622 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 4.6 pp -75.46 -27.42 58.87 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -80.84 -19.27 44.94 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.916 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m 70.9 -28.69 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 114.701 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 t -57.84 -40.02 79.06 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 120.995 0.426 . . . . 0.0 110.049 175.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.68 0.71 29.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.8 t -98.86 -0.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 20.13 49.41 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.43 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 t -90.07 -11.76 40.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' ND2' ' HD1' ' A' ' 37' ' ' TYC . 26.2 t-20 -149.6 105.39 3.44 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -104.53 19.41 20.39 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.741 0.781 . . . . 0.0 109.798 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYC . . . . . 0.465 ' HD1' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.238 0.468 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 p -137.1 165.17 26.68 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -144.76 18.83 1.65 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.5 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -100.08 159.85 14.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.13 -19.01 65.54 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 121.562 0.696 . . . . 0.0 110.491 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -79.6 -15.37 57.76 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.93 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -131.68 -44.2 0.99 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -169.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 11' ' ' ARG . . . -62.24 -29.92 70.74 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 122.402 1.096 . . . . 0.0 109.254 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 17.7 p -68.9 -32.08 71.47 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.021 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -74.41 -39.53 62.59 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.2 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HD3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -67.61 -31.03 70.79 Favored 'General case' 0 C--O 1.211 -0.953 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.665 177.314 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' THR . 19.8 mt -62.23 -40.91 97.71 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.254 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.68 70.12 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 121.41 0.624 . . . . 0.0 109.93 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -82.38 -8.37 59.63 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' HD2' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -88.7 -16.35 32.51 Favored 'General case' 0 CA--C 1.488 -1.418 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -173.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.4 19.01 3.97 Favored 'General case' 1 N--CA 1.372 -4.336 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.491 -177.217 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' H ' ' A' ' 18' ' ' HIS . 8.9 p -67.56 -60.59 2.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.886 -174.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.43 ' H ' HG13 ' A' ' 17' ' ' VAL . 39.2 m80 -119.9 -3.75 10.19 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 23' ' ' PHE . 34.0 m -72.56 -19.96 61.41 Favored 'General case' 0 C--O 1.182 -2.482 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.315 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 2.9 p -55.18 -20.22 9.9 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 127.056 2.142 . . . . 0.0 113.333 -175.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -109.14 2.82 21.31 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.854 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' O ' HG22 ' A' ' 26' ' ' ILE . 1.2 m-20 -135.59 -40.88 0.7 Allowed 'General case' 0 CA--C 1.474 -1.978 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -172.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -58.56 89.65 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.837 1.78 . . . . 0.0 113.196 -171.678 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 64.6 32.24 83.55 Favored Glycine 0 C--N 1.288 -2.121 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.003 -172.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 -41.42 5.3 Favored 'General case' 0 CA--C 1.474 -1.96 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.8 tt -93.44 -37.45 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.05 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.339 176.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -66.14 -46.77 76.3 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 121.714 0.769 . . . . 0.0 109.133 179.171 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -82.66 -22.44 34.62 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.699 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 34' ' ' SER . 2.6 m 60.08 30.52 19.98 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.843 1.257 . . . . 0.0 110.857 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.423 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 8.0 p -62.84 -39.26 93.83 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 125.05 1.34 . . . . 0.0 111.923 -174.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -102.06 4.25 39.55 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.272 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t -93.52 -16.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.4 23.34 56.83 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.309 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 29' ' ' SER . 2.1 m -106.13 -60.61 1.62 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 88.1 m-20 73.58 81.83 0.12 Allowed 'General case' 0 CA--C 1.487 -1.463 0 C-N-CA 124.737 1.215 . . . . 0.0 109.19 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -104.84 -4.53 22.13 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 113.536 -1.666 . . . . 0.0 110.72 -172.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.2 p -155.53 155.07 32.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -138.86 22.9 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.846 0.831 . . . . 0.0 110.935 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -99.71 158.41 15.79 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.79 -19.07 64.72 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.289 1.035 . . . . 0.0 111.178 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.2 m -85.14 -13.75 49.16 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.282 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -129.86 -40.53 1.35 Allowed 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.009 -1.076 . . . . 0.0 113.047 -169.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.81 -24.52 66.93 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.901 0.858 . . . . 0.0 108.975 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.3 p -69.16 -31.52 70.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.71 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.15 -36.67 64.13 Favored 'General case' 0 CA--C 1.488 -1.441 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.63 -38.37 90.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 9' ' ' THR . 35.5 mt -63.06 -41.2 99.41 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.867 174.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.72 -31.37 71.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -81.7 -8.64 59.72 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.477 0.711 . . . . 0.0 110.843 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -23.53 24.64 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.55 17.44 6.41 Favored 'General case' 0 N--CA 1.385 -3.701 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.539 -177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 13.5 p -65.31 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -121.04 2.89 10.48 Favored 'General case' 0 CA--C 1.478 -1.81 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.442 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 9.9 m -65.4 -17.24 64.38 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.866 -176.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -62.62 1.3 0.39 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.654 1.582 . . . . 0.0 112.535 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 19' ' ' SER . 43.4 m-80 -100.93 -3.59 29.3 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.897 0.856 . . . . 0.0 110.1 -178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.66 -47.34 1.41 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 6.3 m-85 -54.32 97.16 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.048 -1.887 . . . . 0.0 111.495 174.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.15 37.44 94.5 Favored Glycine 0 C--N 1.294 -1.778 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.357 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.41 -54.84 2.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 N-CA-C 105.169 -2.16 . . . . 0.0 105.169 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -84.02 -38.14 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.862 0 CA-C-N 112.569 -2.105 . . . . 0.0 107.983 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.497 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -93.39 0.1 56.73 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.567 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m 53.95 38.39 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-O 121.749 0.785 . . . . 0.0 111.761 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 p -104.29 9.84 35.78 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.772 0.796 . . . . 0.0 111.81 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -99.77 2.34 44.03 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 t -80.11 -30.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.44 -27.69 1.81 Allowed Glycine 0 N--CA 1.434 -1.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.44 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 61.53 33.35 18.47 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.127 0.971 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -80.0 93.06 5.66 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.758 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -90.65 -2.84 57.84 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.785 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.9 pttt . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.1 p -135.48 166.58 22.85 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -150.91 20.85 0.78 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.055 0.455 . . . . 0.0 111.537 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.4 t -100.07 159.8 14.82 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -19.75 65.52 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.806 0.843 . . . . 0.0 110.996 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -80.23 -14.94 58.03 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.488 0.661 . . . . 0.0 110.742 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 11.4 t -131.15 -45.7 1.01 Allowed 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 119.602 -0.839 . . . . 0.0 113.208 -167.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.76 -26.56 68.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.331 0.586 . . . . 0.0 109.51 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 9.7 p -67.26 -32.97 74.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.871 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -73.95 -38.78 64.13 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.753 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 13.3 mmm180 -66.07 -35.53 80.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 9' ' ' THR . 26.0 mt -63.53 -40.87 98.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.524 173.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.72 -29.63 69.66 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.867 0.841 . . . . 0.0 109.748 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -82.0 -8.6 59.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.203 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -14.99 33.93 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.09 17.46 4.58 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.466 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG13 ' H ' ' A' ' 18' ' ' HIS . 14.5 p -71.08 -65.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.722 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.408 ' H ' HG13 ' A' ' 17' ' ' VAL . 17.8 m80 -117.51 -1.79 11.62 Favored 'General case' 0 CA--C 1.484 -1.575 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -25.04 59.8 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 125.943 1.697 . . . . 0.0 110.926 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.645 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 3.5 m -55.06 -20.11 8.78 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.692 1.997 . . . . 0.0 112.269 -175.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -103.56 0.44 30.89 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.428 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -138.27 -43.11 0.51 Allowed 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.444 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.645 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -50.12 86.7 0.0 OUTLIER 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 126.309 1.844 . . . . 0.0 114.291 -172.297 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . 61.67 27.75 68.73 Favored Glycine 0 C--O 1.197 -2.175 0 CA-C-N 113.305 -1.77 . . . . 0.0 111.934 -171.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.8 -43.58 7.8 Favored 'General case' 0 CA--C 1.468 -2.186 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ASN . 4.6 tt -88.72 -40.79 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.474 0 CA-C-N 112.294 -2.23 . . . . 0.0 109.013 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -46.89 86.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.313 178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.486 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 44.1 t -83.41 -10.26 58.52 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.277 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m 61.15 16.23 7.0 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 124.536 1.134 . . . . 0.0 111.999 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 8.1 t -64.68 -33.51 76.12 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.139 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -98.73 -15.08 19.48 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.96 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.95 -30.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.35 4.62 30.61 Favored Glycine 0 N--CA 1.434 -1.442 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.214 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -76.55 -11.48 59.88 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 30' ' ' THR . 47.0 t30 -75.77 -27.76 58.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.396 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -87.63 6.16 35.98 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.611 0.72 . . . . 0.0 112.547 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.3 p -145.55 161.88 38.74 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -147.5 20.8 1.19 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.102 0.953 . . . . 0.0 110.196 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -99.39 161.25 13.72 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.275 -0.89 . . . . 0.0 108.927 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.84 -19.52 65.11 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 123.906 0.882 . . . . 0.0 111.209 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 m -85.49 -13.32 49.45 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.263 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 8.7 t -129.89 -41.53 1.3 Allowed 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 119.317 -0.953 . . . . 0.0 112.631 -168.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.27 -27.27 69.23 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 8.1 p -67.77 -31.4 71.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.222 177.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 43.8 mm-40 -74.28 -37.4 63.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 26.4 mmm180 -65.92 -37.06 85.07 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' THR . 28.8 mt -62.77 -40.98 98.96 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.988 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -63.76 -34.02 76.97 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -80.42 -10.44 59.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.162 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -26.51 22.33 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.622 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -120.32 11.38 11.49 Favored 'General case' 0 N--CA 1.408 -2.525 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.249 -174.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.1 p -71.12 -38.31 70.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.263 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -143.89 -38.6 0.31 Allowed 'General case' 0 CA--C 1.487 -1.477 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' A' ' 16' ' ' LEU . 68.7 m 72.95 9.12 5.45 Favored 'General case' 0 C--O 1.187 -2.21 0 CA-C-N 114.189 -1.369 . . . . 0.0 113.795 171.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 14.8 m -60.89 -5.88 1.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 C-N-CA 126.589 1.956 . . . . 0.0 114.089 -172.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -124.7 2.48 8.21 Favored 'General case' 0 N--CA 1.417 -2.083 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.955 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.17 -35.15 0.63 Allowed 'General case' 0 CA--C 1.482 -1.638 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -171.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -45.16 88.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 126.438 1.895 . . . . 0.0 113.842 -177.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.81 34.56 71.5 Favored Glycine 0 C--N 1.291 -1.938 0 CA-C-N 113.364 -1.744 . . . . 0.0 112.767 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.56 -34.76 8.55 Favored 'General case' 0 N--CA 1.414 -2.271 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.0 tt -116.92 -38.89 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.42 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.855 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -82.11 -26.59 33.43 Favored 'General case' 0 CA--C 1.463 -2.368 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.5 m -71.35 -24.76 62.16 Favored 'General case' 0 N--CA 1.41 -2.428 0 C-N-CA 117.382 -1.727 . . . . 0.0 111.837 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 32' ' ' VAL . 30.0 m 67.77 -30.23 0.16 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.357 1.463 . . . . 0.0 114.813 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -73.55 -2.62 23.55 Favored 'General case' 0 C--N 1.28 -2.433 0 C-N-CA 124.415 1.086 . . . . 0.0 110.893 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -123.78 4.48 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 121.336 0.588 . . . . 0.0 110.327 -169.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 29' ' ' SER . 33.7 m -107.62 27.52 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-O 122.109 0.957 . . . . 0.0 110.457 -176.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.34 22.56 10.39 Favored Glycine 0 C--N 1.289 -2.066 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m 55.38 73.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.937 1.295 . . . . 0.0 111.535 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 29' ' ' SER . 58.4 t-20 -134.29 89.68 2.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.476 -175.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -105.49 25.25 10.96 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.721 0.772 . . . . 0.0 109.243 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -146.75 152.55 38.98 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -139.77 23.13 2.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.197 0.522 . . . . 0.0 110.57 -174.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 t -99.12 158.02 15.96 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -18.68 64.42 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 124.278 1.031 . . . . 0.0 110.954 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.4 m -83.57 -18.06 39.61 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.355 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -126.6 -42.74 1.77 Allowed 'General case' 0 CA--C 1.496 -1.116 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.634 -168.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -24.94 67.13 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 9.1 p -68.2 -32.2 72.26 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.814 176.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -74.95 -35.5 62.12 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.559 -1.201 . . . . 0.0 107.767 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -67.55 -34.07 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.401 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 9' ' ' THR . 29.7 mt -63.22 -40.83 98.58 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.779 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -63.73 -33.47 75.71 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.403 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.27 -8.62 59.78 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.019 178.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -22.16 24.42 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -175.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.33 16.47 6.05 Favored 'General case' 0 N--CA 1.399 -3.011 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.372 -176.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' A' ' 18' ' ' HIS . 14.0 p -66.43 -60.18 2.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' HD2' HG22 ' A' ' 17' ' ' VAL . 17.7 m-70 -123.8 14.08 9.29 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -77.43 1.57 18.73 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.859 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 2.3 m -49.68 -33.37 15.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.489 1.916 . . . . 0.0 111.626 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.596 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 70.8 m-20 -69.63 -18.19 63.58 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.712 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -126.7 14.44 7.52 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-O 122.811 1.291 . . . . 0.0 108.419 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 1.1 m-85 -118.7 29.99 7.43 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.069 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 110.6 56.26 0.51 Allowed Glycine 0 CA--C 1.474 -2.485 0 CA-C-N 114.468 -1.242 . . . . 0.0 112.296 -178.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -119.04 -58.72 1.92 Allowed 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 170.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 26' ' ' ILE . 1.6 tt -71.54 -39.37 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.161 0 CA-C-N 112.828 -1.987 . . . . 0.0 108.987 172.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -65.5 -42.5 92.07 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.072 176.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -71.64 -31.88 67.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.683 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 26.9 t 72.86 -13.44 0.67 Allowed 'General case' 0 C--O 1.252 1.195 0 C-N-CA 125.042 1.337 . . . . 0.0 113.344 175.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -68.78 -21.01 64.37 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.12 -14.05 37.09 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 121.175 0.512 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -89.66 -15.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.04 21.87 40.56 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.438 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.56 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 15.9 m -106.36 -40.54 5.57 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -101.96 25.94 8.13 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.489 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.0 96.27 7.06 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.307 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.64 168.43 22.86 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -129.23 12.06 6.0 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.352 -0.939 . . . . 0.0 113.022 -168.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.0 t -102.31 155.12 18.44 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 119.716 -0.793 . . . . 0.0 109.519 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.43 65.21 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 124.666 1.186 . . . . 0.0 110.983 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.7 m -80.64 -17.42 51.28 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.803 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 20.4 t -127.88 -46.16 1.41 Allowed 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -167.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -63.63 -25.19 68.11 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 16.6 p -68.11 -32.26 72.44 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.841 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -73.89 -38.38 64.4 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 25.4 mmm180 -67.09 -32.4 73.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.861 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' THR . 31.2 mt -64.17 -41.42 97.14 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.486 173.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.25 68.0 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.258 0.551 . . . . 0.0 110.085 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -80.63 -8.01 59.48 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.015 177.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -22.04 22.74 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' HA ' ' HB2' ' A' ' 19' ' ' SER . 0.4 OUTLIER -130.12 26.23 5.19 Favored 'General case' 0 N--CA 1.388 -3.558 0 CA-C-O 122.566 1.174 . . . . 0.0 110.67 -177.142 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.539 HG13 ' H ' ' A' ' 18' ' ' HIS . 9.5 p -72.08 -67.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.274 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' H ' HG13 ' A' ' 17' ' ' VAL . 13.3 m-70 -102.92 2.82 35.69 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 4.8 m -70.05 -11.71 61.08 Favored 'General case' 0 N--CA 1.4 -2.966 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.453 -176.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.592 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 9.7 m -64.41 -1.12 1.55 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.066 1.747 . . . . 0.0 111.625 -178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -92.74 -4.38 53.22 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.407 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.48 -47.68 1.43 Allowed 'General case' 0 CA--C 1.488 -1.442 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 175.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 9.8 m-85 -53.82 96.61 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 113.281 -1.781 . . . . 0.0 111.527 174.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' H ' ' HB3' ' A' ' 27' ' ' LEU . . . 70.03 29.68 70.5 Favored Glycine 0 C--N 1.291 -1.941 0 CA-C-N 112.616 -2.084 . . . . 0.0 113.037 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.33 -51.25 2.94 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 tt -88.76 -38.11 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.035 0 CA-C-N 112.764 -2.016 . . . . 0.0 108.494 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' H ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -61.71 -39.82 92.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.419 178.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.9 t -90.66 -4.02 57.09 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m 62.09 17.41 9.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 112.978 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.9 t -81.94 -10.84 59.15 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 122.072 -0.392 . . . . 0.0 111.097 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -127.78 14.64 6.95 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.237 0.541 . . . . 0.0 110.741 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.69 9.58 9.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.385 0.612 . . . . 0.0 111.557 -174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.3 36.07 10.17 Favored Glycine 0 C--N 1.293 -1.819 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -128.68 5.22 5.54 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.787 0.803 . . . . 0.0 110.393 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -139.77 71.81 1.38 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 122.211 1.005 . . . . 0.0 108.31 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -143.98 72.03 1.34 Allowed 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.398 -1.274 . . . . 0.0 107.746 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 CA--C 1.511 -0.53 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -147.77 168.15 22.87 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -134.56 8.07 3.6 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.359 0.599 . . . . 0.0 112.099 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -99.76 154.89 17.96 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.378 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.89 63.23 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 125.152 1.381 . . . . 0.0 111.801 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 m -84.82 -14.76 47.06 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-O 121.167 0.508 . . . . 0.0 110.736 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -125.69 -49.59 1.63 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -168.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.01 -25.03 67.68 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 121.472 0.653 . . . . 0.0 109.66 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 14.6 p -68.05 -32.28 72.52 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.357 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -74.49 -37.18 63.22 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -65.05 -36.58 84.81 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 9' ' ' THR . 42.7 mt -63.22 -41.42 99.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.478 173.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.633 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.95 -34.41 78.06 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.208 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.39 -8.04 59.67 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.075 0.55 . . . . 0.0 111.483 179.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -20.89 26.36 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -173.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 18.07 4.34 Favored 'General case' 0 N--CA 1.383 -3.797 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.962 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.7 p -73.92 -59.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -171.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.7 m-70 -125.03 16.59 8.51 Favored 'General case' 0 CA--C 1.477 -1.831 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m -73.16 -4.76 34.85 Favored 'General case' 0 N--CA 1.416 -2.147 0 CA-C-N 112.691 -2.05 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 1.2 m -54.15 -24.46 18.07 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.275 2.23 . . . . 0.0 110.086 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.631 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 46.5 m-80 -70.16 -31.14 68.49 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.213 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -112.21 7.42 19.47 Favored 'General case' 0 C--N 1.276 -2.592 0 CA-C-O 123.596 1.665 . . . . 0.0 109.163 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 1.9 m-85 -100.13 -3.78 31.08 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 111.509 -2.587 . . . . 0.0 107.461 172.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 139.41 63.0 0.04 OUTLIER Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 114.449 -1.25 . . . . 0.0 114.565 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 21' ' ' ASN . . . -118.93 -46.17 2.55 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 167.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 tt -96.38 -39.06 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.092 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.03 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-O 121.011 0.434 . . . . 0.0 110.3 -174.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -53.17 -34.13 55.57 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.472 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 20.1 m 68.44 -10.63 0.44 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 173.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -57.66 -38.11 74.52 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.674 0.79 . . . . 0.0 111.532 -177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.82 -19.62 17.31 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.975 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 29' ' ' SER . 28.8 t -65.9 -35.36 74.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.916 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.52 -1.58 0.29 Allowed Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.414 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.9 m -84.0 -19.13 35.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.868 0.834 . . . . 0.0 112.741 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.95 25.35 3.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.032 0.444 . . . . 0.0 110.387 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -83.93 91.62 7.63 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.227 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt . . . . . 0 CA--C 1.505 -0.771 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -149.1 161.44 41.96 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -139.73 19.6 2.51 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -99.77 158.99 15.39 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.29 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.94 -18.23 65.06 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 124.415 1.086 . . . . 0.0 111.37 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -88.24 -11.29 47.07 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.287 0.565 . . . . 0.0 111.541 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -128.2 -45.2 1.4 Allowed 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.677 -171.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.63 66.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.739 0.78 . . . . 0.0 109.302 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 5.6 p -69.0 -31.88 71.03 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.741 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.16 -34.11 61.56 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -65.87 -36.65 84.04 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.489 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' THR . 32.5 mt -62.73 -39.84 95.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.4 174.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.36 -33.11 75.19 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.96 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.428 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.18 -7.7 59.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -15.95 32.87 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -176.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -137.52 27.45 2.79 Favored 'General case' 0 N--CA 1.388 -3.531 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.42 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.8 p -89.47 -45.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.859 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.51 15.22 1.99 Allowed 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' ASN . 11.4 m -71.69 -38.73 70.56 Favored 'General case' 0 C--O 1.168 -3.212 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.89 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 50.8 m -65.98 6.62 0.36 Allowed 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 19' ' ' SER . 51.0 m-80 -130.19 -0.76 4.59 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 124.326 1.051 . . . . 0.0 110.056 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.437 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -139.47 -33.88 0.59 Allowed 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -169.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -47.75 93.08 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 126.268 1.827 . . . . 0.0 114.248 -175.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . 64.87 23.02 68.98 Favored Glycine 0 C--N 1.301 -1.38 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.463 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 30' ' ' THR . . . -99.37 -39.02 8.6 Favored 'General case' 0 N--CA 1.416 -2.139 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' ASN . 3.9 tt -97.82 -42.09 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.573 0 CA-C-N 113.668 -1.605 . . . . 0.0 108.692 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.33 92.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.207 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 50.0 m -114.52 -1.39 13.43 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.708 -175.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m 69.61 16.24 8.06 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 124.729 1.212 . . . . 0.0 111.927 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.46 ' HB ' ' HA ' ' A' ' 25' ' ' ALA 0.296 9.7 t 54.44 0.42 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 127.077 2.151 . . . . 0.0 115.215 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -126.73 83.98 2.22 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.36 -11.66 11.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 113.511 -1.677 . . . . 0.0 109.174 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.74 -6.04 35.22 Favored Glycine 0 N--CA 1.434 -1.49 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 m -83.97 5.97 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.315 1.055 . . . . 0.0 109.484 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -75.25 -4.53 39.52 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.226 -1.352 . . . . 0.0 108.99 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -84.1 -8.87 58.98 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.15 0.98 . . . . 0.0 111.399 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 pttt . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p -154.96 159.95 40.76 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 121.333 -0.147 . . . . 0.0 110.652 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -144.75 18.37 1.64 Allowed 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -100.96 165.89 11.1 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.8 64.34 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.771 0.829 . . . . 0.0 110.513 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.0 m -79.89 -15.74 56.73 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.485 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 9.1 t -133.14 -38.49 0.96 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 118.415 -1.314 . . . . 0.0 114.323 -169.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.6 -27.31 69.11 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.9 p -68.29 -33.0 73.54 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.824 -1.535 . . . . 0.0 111.058 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -74.01 -36.87 64.51 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 114.516 -1.22 . . . . 0.0 107.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 22.2 mmm180 -64.56 -39.63 94.11 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 9' ' ' THR . 39.1 mt -62.61 -36.15 81.84 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.098 175.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -71.62 -33.27 68.83 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.423 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -80.5 -8.43 59.56 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.56 0.695 . . . . 0.0 111.015 -178.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -17.54 28.24 Favored 'General case' 0 N--CA 1.417 -2.093 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 -177.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 19' ' ' SER . 0.2 OUTLIER -134.63 19.34 3.57 Favored 'General case' 0 N--CA 1.406 -2.632 0 CA-C-O 121.95 0.881 . . . . 0.0 111.328 -175.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 7.7 p -75.45 -44.74 41.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.615 -169.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.07 23.05 3.04 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.725 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 46.3 m -113.5 15.47 19.03 Favored 'General case' 0 C--O 1.165 -3.365 0 CA-C-N 113.101 -1.863 . . . . 0.0 110.974 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 12.4 m -57.43 -17.04 11.13 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 126.158 1.783 . . . . 0.0 112.958 -172.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -122.56 15.45 10.33 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 124.063 0.945 . . . . 0.0 109.599 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -136.85 -39.02 0.63 Allowed 'General case' 0 CA--C 1.482 -1.664 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -169.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HD2' ' O ' ' A' ' 19' ' ' SER . 13.1 p90 -56.94 102.05 0.07 Allowed 'General case' 0 C--N 1.284 -2.279 0 CA-C-O 122.722 1.249 . . . . 0.0 112.592 -173.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 70.77 22.63 78.19 Favored Glycine 0 C--N 1.307 -1.061 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.225 -176.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HB1' HD22 ' A' ' 31' ' ' ASN . . . -103.46 -47.52 4.25 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 174.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.6 tt -93.17 -37.72 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.061 0 CA-C-N 112.696 -2.047 . . . . 0.0 109.726 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -60.87 -46.44 90.59 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 121.842 0.829 . . . . 0.0 108.822 178.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.6 m -83.02 -17.19 44.22 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.293 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 m 63.44 18.6 11.16 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 125.492 1.517 . . . . 0.0 112.47 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -76.67 -13.33 60.06 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.887 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.45 HD22 ' HB1' ' A' ' 25' ' ' ALA . 90.1 m-20 -115.39 11.18 15.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.491 0.662 . . . . 0.0 109.491 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.26 -29.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.266 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.77 -17.45 1.61 Allowed Glycine 0 N--CA 1.434 -1.482 0 C-N-CA 119.957 -1.116 . . . . 0.0 111.842 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t -74.68 -48.57 25.33 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 59.26 90.39 0.05 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.101 0.876 . . . . 0.0 111.398 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -103.79 2.2 32.56 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.832 0.825 . . . . 0.0 111.413 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.89 153.91 47.84 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 120.717 0.294 . . . . 0.0 110.596 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -140.57 20.26 2.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.521 0.677 . . . . 0.0 110.616 -173.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.4 t -99.68 157.71 16.28 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.35 64.64 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.455 1.102 . . . . 0.0 111.249 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 m -83.62 -16.59 44.64 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.977 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.94 -46.13 1.55 Allowed 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.694 -169.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -63.43 -26.3 68.67 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 121.549 0.69 . . . . 0.0 109.382 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 12.2 p -68.17 -32.85 73.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.781 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -74.46 -37.1 63.33 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -64.49 -39.85 94.56 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 38.2 mt -62.09 -40.71 96.78 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.773 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -67.72 -36.01 79.8 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.599 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.33 -8.37 58.34 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.407 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -25.15 24.23 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -175.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HA ' ' OG ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -127.16 12.98 7.18 Favored 'General case' 0 N--CA 1.394 -3.233 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.567 -175.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.5 p -67.49 -43.24 87.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.008 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -139.99 -51.74 0.5 Allowed 'General case' 0 CA--C 1.483 -1.624 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' ' 16' ' ' LEU . 18.4 m 67.66 5.22 4.28 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 114.256 -1.338 . . . . 0.0 112.288 174.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.578 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 14.3 m -54.47 -29.66 50.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.526 1.53 . . . . 0.0 111.757 -175.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.577 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 4.1 t-20 -59.97 -37.32 79.28 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 123.423 1.583 . . . . 0.0 110.594 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -110.41 8.54 23.26 Favored 'General case' 0 C--N 1.262 -3.213 0 CA-C-O 123.035 1.397 . . . . 0.0 108.4 -174.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.578 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 2.0 m-85 -113.36 9.08 18.16 Favored 'General case' 0 N--CA 1.417 -2.076 0 CA-C-N 112.303 -2.226 . . . . 0.0 109.213 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 140.81 45.22 0.06 OUTLIER Glycine 0 N--CA 1.428 -1.872 0 CA-C-N 115.088 -0.96 . . . . 0.0 115.042 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 21' ' ' ASN . . . -115.95 -53.07 2.59 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 168.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASN . 8.1 tt -76.99 -34.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.663 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.293 176.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -79.25 -45.36 19.95 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.075 -176.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 30' ' ' THR . 24.9 m -73.05 -49.8 26.6 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.161 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.7 m 66.08 -33.72 0.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.242 1.417 . . . . 0.0 113.834 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 28' ' ' SER . 9.0 t -74.65 29.55 0.09 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 126.284 1.834 . . . . 0.0 110.523 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -88.53 -21.75 23.96 Favored 'General case' 0 CA--C 1.485 -1.554 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.46 -23.46 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.801 0 CA-C-N 112.652 -2.067 . . . . 0.0 112.169 -176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.99 -19.72 52.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.135 -1.031 . . . . 0.0 111.378 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 t -89.46 -49.01 6.94 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.45 HD22 ' HA ' ' A' ' 35' ' ' ASN . 10.7 m120 -101.84 88.57 3.41 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 p -75.11 89.21 2.47 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 114.12 -1.4 . . . . 0.0 113.699 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 pttt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.83 151.54 48.92 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -138.95 22.51 2.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.539 0.685 . . . . 0.0 111.355 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.6 t -99.24 163.93 12.35 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.251 -0.979 . . . . 0.0 108.63 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -18.93 65.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 124.156 0.982 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.0 m -85.99 -14.0 45.88 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.673 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -130.34 -39.15 1.34 Allowed 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.612 -1.235 . . . . 0.0 113.257 -169.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.2 -25.29 67.64 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.7 p -68.22 -31.37 70.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.913 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -74.23 -37.32 63.85 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -65.62 -36.89 85.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' THR . 31.8 mt -62.87 -37.69 87.88 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.548 174.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -68.55 -34.42 75.8 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 121.375 0.607 . . . . 0.0 109.717 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.415 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -79.02 -7.6 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 -19.02 29.82 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.32 20.63 3.17 Favored 'General case' 0 N--CA 1.383 -3.799 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.05 -175.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.432 HG13 ' H ' ' A' ' 18' ' ' HIS . 11.9 p -72.61 -63.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.043 -174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' H ' HG13 ' A' ' 17' ' ' VAL . 32.3 m-70 -120.54 2.53 10.71 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 174.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' A' ' 23' ' ' PHE . 59.9 m -74.32 -11.32 60.23 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 113.42 -1.718 . . . . 0.0 110.521 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.715 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 1.6 m -47.21 -27.14 1.37 Allowed 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 127.483 2.313 . . . . 0.0 112.88 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -9.07 37.73 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.037 -176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.561 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -134.36 -36.25 0.89 Allowed 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.715 ' CE1' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -55.14 99.5 0.03 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 CA-C-O 123.291 1.519 . . . . 0.0 113.149 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' HA2' ' HB3' ' A' ' 27' ' ' LEU . . . 67.06 34.28 86.19 Favored Glycine 0 C--N 1.302 -1.339 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.977 -174.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 -46.99 2.82 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 22' ' ' ASN . 4.4 tt -85.72 -40.57 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.034 0 CA-C-N 113.295 -1.775 . . . . 0.0 108.183 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -60.86 -44.01 97.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.151 175.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -75.81 -27.61 57.99 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.049 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m 70.74 2.22 4.05 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.125 1.37 . . . . 0.0 112.532 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.4 t -70.0 -27.51 64.75 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.234 0.54 . . . . 0.0 110.164 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -94.58 0.33 55.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.314 0.578 . . . . 0.0 110.213 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.84 -16.19 7.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.22 28.33 49.41 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.784 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -128.03 22.59 6.18 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 30' ' ' THR . 27.7 t-20 -171.46 130.0 0.7 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -103.71 19.84 19.13 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.352 0.596 . . . . 0.0 111.146 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.1 p -127.75 158.48 37.56 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -134.69 13.18 3.72 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.812 0.339 . . . . 0.0 111.847 -170.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -98.8 157.91 15.98 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.08 -18.96 65.74 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 124.417 1.087 . . . . 0.0 110.956 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -77.71 -20.86 52.85 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.404 0.621 . . . . 0.0 110.694 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 13.9 t -125.91 -48.95 1.61 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -166.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.85 -26.79 68.93 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.274 0.559 . . . . 0.0 109.74 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 p -67.42 -31.38 71.54 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.699 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -74.25 -37.5 63.75 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.47 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 21.7 mmm180 -71.47 -37.24 71.36 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -37.18 86.15 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.525 173.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.0 -37.45 85.96 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.692 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.8 OUTLIER -77.92 -9.19 58.96 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.364 0.602 . . . . 0.0 111.207 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.1 OUTLIER -84.74 -22.71 29.58 Favored 'General case' 0 N--CA 1.406 -2.66 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.67 24.26 4.01 Favored 'General case' 0 N--CA 1.391 -3.387 0 CA-C-O 121.912 0.863 . . . . 0.0 111.309 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.625 HG13 ' CD2' ' A' ' 18' ' ' HIS . 7.7 p -83.79 -47.28 17.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.114 -175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.625 ' CD2' HG13 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -158.59 29.24 0.23 Allowed 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 39.8 m -107.38 -2.61 20.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.032 -176.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 6.4 m -66.79 -2.62 5.3 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 127.21 2.204 . . . . 0.0 113.999 -168.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -115.81 -7.17 12.08 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.243 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.66 -36.67 1.07 Allowed 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -172.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -48.91 83.65 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 127.131 2.172 . . . . 0.0 114.432 -175.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . 61.79 37.18 93.88 Favored Glycine 0 C--N 1.278 -2.688 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.788 -172.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.65 -47.78 3.97 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -94.68 -36.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.845 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.47 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -63.35 -38.54 91.55 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.795 0.838 . . . . 0.0 110.71 177.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 33.9 t -95.35 -3.87 46.44 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.336 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.564 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.5 m 60.16 13.4 3.83 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.447 1.499 . . . . 0.0 112.957 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -65.61 -27.93 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.247 0.619 . . . . 0.0 111.358 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -98.97 1.46 45.51 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.2 -12.31 8.49 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.81 -6.74 83.38 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.301 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 8.1 m -86.47 7.59 25.29 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -172.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.25 -27.01 17.09 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.2 m -94.36 -39.87 10.24 Favored 'General case' 0 N--CA 1.416 -2.166 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.745 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . 0.461 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.238 0.493 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 p -127.84 163.65 23.93 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.856 0.36 . . . . 0.0 111.057 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.27 25.33 0.47 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 t -99.16 160.76 14.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -19.13 64.66 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 124.446 1.099 . . . . 0.0 111.731 -176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -91.16 -10.4 41.92 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.416 0.627 . . . . 0.0 111.485 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.2 t -130.64 -39.28 1.27 Allowed 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 121.224 -0.923 . . . . 0.0 112.405 -170.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -67.83 -23.3 65.16 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 4.7 p -68.48 -31.15 70.23 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.464 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -74.54 -37.34 63.04 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.5 -36.23 82.21 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.554 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' THR . 29.3 mt -63.1 -40.88 98.93 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.837 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -64.36 -34.09 77.36 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.017 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -81.42 -8.03 59.67 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.274 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -90.99 -19.1 23.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.17 25.65 4.55 Favored 'General case' 0 N--CA 1.392 -3.348 0 CA-C-O 122.195 0.998 . . . . 0.0 110.616 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 12.5 p -83.51 -44.09 18.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.85 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.12 16.69 0.17 Allowed 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.1 m -94.6 -22.03 18.44 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 114.466 -1.243 . . . . 0.0 113.381 -164.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.529 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 5.0 m -65.35 12.19 0.05 Allowed 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 126.007 1.723 . . . . 0.0 113.77 -172.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 19' ' ' SER . 35.0 m-80 -135.61 -1.05 2.56 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 123.85 0.86 . . . . 0.0 110.974 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.469 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -137.81 -38.48 0.58 Allowed 'General case' 0 CA--C 1.485 -1.533 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -172.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -47.52 93.12 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.142 0 C-N-CA 126.173 1.789 . . . . 0.0 114.137 -176.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . 64.41 28.92 73.76 Favored Glycine 0 C--N 1.292 -1.866 0 CA-C-N 113.901 -1.5 . . . . 0.0 112.764 -175.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 30' ' ' THR . . . -101.18 -52.59 3.23 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 174.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' ASN . 6.3 tt -85.0 -38.57 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.222 0 CA-C-N 112.72 -2.036 . . . . 0.0 109.443 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -59.86 -46.34 89.61 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 65.2 m -83.08 -15.66 49.99 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 m 62.0 38.65 14.04 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.724 0.773 . . . . 0.0 109.223 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 25' ' ' ALA . 8.9 t -83.64 -5.52 59.2 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.037 -172.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.31 39.56 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.664 0.745 . . . . 0.0 112.065 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -78.37 -40.31 24.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.76 1.5 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.65 -1.262 . . . . 0.0 112.995 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.2 m -93.34 -57.82 2.49 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 62.57 20.01 11.67 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.847 1.259 . . . . 0.0 113.62 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 t -95.71 98.08 10.19 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-O 121.881 0.848 . . . . 0.0 109.794 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 p -138.27 151.43 47.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -135.92 16.53 3.29 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.088 0.471 . . . . 0.0 111.188 -170.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -99.26 157.98 16.01 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.05 -18.86 64.76 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 124.804 1.242 . . . . 0.0 111.305 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.1 m -82.96 -17.83 42.13 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 t -127.87 -44.82 1.46 Allowed 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.78 -24.21 66.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.732 0.777 . . . . 0.0 109.449 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 12.9 p -68.59 -30.89 69.74 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.781 176.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -74.11 -37.08 64.23 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -65.77 -36.51 83.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.846 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 9' ' ' THR . 37.5 mt -63.03 -40.86 98.99 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.698 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.74 74.35 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.98 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -80.15 -8.58 59.48 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.154 0.502 . . . . 0.0 111.608 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -28.83 23.26 Favored 'General case' 0 N--CA 1.408 -2.551 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -121.23 8.83 10.33 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.469 -174.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.64 -48.14 88.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.207 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -110.77 -19.66 12.76 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 21' ' ' ASN . 4.2 t 70.77 18.36 6.24 Favored 'General case' 0 C--O 1.203 -1.372 0 C-N-CA 126.044 1.738 . . . . 0.0 110.751 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 11.3 m -68.35 1.94 2.63 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.354 1.462 . . . . 0.0 110.562 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 19' ' ' SER . 43.2 m-80 -92.3 -7.71 47.2 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 113.999 -1.455 . . . . 0.0 108.443 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -50.63 1.25 Allowed 'General case' 0 N--CA 1.426 -1.633 0 C-N-CA 124.721 1.208 . . . . 0.0 108.311 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 7.4 m-85 -54.13 93.45 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 126.94 2.096 . . . . 0.0 111.545 175.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 58.06 36.94 83.89 Favored Glycine 0 C--N 1.297 -1.605 0 CA-C-N 112.995 -1.911 . . . . 0.0 112.639 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.85 -56.8 2.24 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 26' ' ' ILE . 5.0 tt -88.77 -34.11 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.797 0 CA-C-N 111.963 -2.381 . . . . 0.0 109.439 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -62.75 -45.7 91.49 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.791 0.805 . . . . 0.0 109.084 178.439 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 69.0 m -89.81 -14.65 34.02 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.217 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m 61.8 37.16 15.76 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 122.052 0.93 . . . . 0.0 110.041 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -64.4 -23.02 67.14 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.248 -175.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -102.27 11.86 37.54 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.145 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.22 -7.59 9.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 122.286 1.041 . . . . 0.0 108.632 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.16 -0.93 76.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.325 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -132.6 94.63 3.44 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.276 0.56 . . . . 0.0 111.435 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -146.72 -34.95 0.27 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.147 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.1 m -77.29 61.4 2.14 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.972 0.892 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.2 tttm . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.8 p -154.54 168.47 26.62 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 122.928 0.491 . . . . 0.0 109.992 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -145.9 21.71 1.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -173.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -100.31 157.87 16.29 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.39 64.77 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 124.355 1.062 . . . . 0.0 111.151 -176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -87.24 -13.07 44.84 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.436 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -127.2 -41.96 1.73 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.4 -169.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 11' ' ' ARG . . . -60.16 -30.71 69.49 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-O 122.23 1.014 . . . . 0.0 108.322 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.402 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.8 p -68.75 -34.11 75.04 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.589 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -74.31 -39.99 62.52 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.692 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HD3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -70.36 -30.96 68.03 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.174 177.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.531 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 16.8 mt -62.76 -40.62 97.83 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.121 173.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -65.84 -32.11 73.44 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.0 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -81.67 -8.55 59.72 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.741 178.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CZ ' ' HD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -88.17 -18.14 29.39 Favored 'General case' 0 N--CA 1.424 -1.765 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -175.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.27 15.6 4.58 Favored 'General case' 0 N--CA 1.394 -3.226 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.106 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.575 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 14.1 p -71.86 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.596 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.497 ' HD2' HG22 ' A' ' 17' ' ' VAL . 12.9 m-70 -122.21 10.56 10.0 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.589 ' O ' ' HD2' ' A' ' 23' ' ' PHE . 66.9 m -94.88 10.21 36.26 Favored 'General case' 0 CA--C 1.473 -1.999 0 CA-C-N 114.385 -1.279 . . . . 0.0 110.918 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 19.5 m -56.48 -7.41 0.4 Allowed 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 127.578 2.351 . . . . 0.0 114.239 -171.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -126.5 8.66 7.08 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 122.582 0.353 . . . . 0.0 111.224 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -133.91 -39.96 0.86 Allowed 'General case' 0 CA--C 1.474 -1.945 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 2.8 p90 -51.22 102.58 0.04 OUTLIER 'General case' 0 C--N 1.288 -2.105 0 CA-C-O 123.019 1.39 . . . . 0.0 113.125 -176.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 67.47 27.17 73.53 Favored Glycine 0 C--N 1.296 -1.683 0 CA-C-N 113.305 -1.77 . . . . 0.0 112.977 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.41 -47.13 3.71 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 22' ' ' ASN . 5.2 tt -87.13 -40.87 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.872 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.103 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -60.05 -47.63 85.06 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-O 121.582 0.706 . . . . 0.0 109.321 178.034 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -82.82 -12.1 57.73 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.686 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.479 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 29.3 t 63.58 21.57 12.79 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 125.048 1.339 . . . . 0.0 111.821 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -86.73 -3.23 59.02 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.007 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -115.82 9.54 15.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.77 1.271 . . . . 0.0 108.685 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 29' ' ' SER . 42.9 t -104.92 -18.19 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.282 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.79 19.33 61.75 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 28.4 m -111.74 -44.34 3.49 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.218 0.532 . . . . 0.0 110.9 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -120.46 29.52 7.41 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 m -78.23 84.94 4.41 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.676 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 C--O 1.245 0.835 0 CA-C-O 121.271 0.558 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p -155.18 168.84 25.7 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.723 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -144.36 18.21 1.71 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.598 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -98.21 160.82 14.04 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.05 65.55 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.911 0.884 . . . . 0.0 110.823 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 m -82.66 -14.59 54.41 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.886 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -131.19 -43.37 1.05 Allowed 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.233 -168.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -64.56 -23.76 67.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.6 p -68.61 -33.01 73.3 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.806 176.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -74.09 -38.63 63.83 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -65.73 -34.16 77.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.907 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' THR . 25.8 mt -64.03 -41.26 97.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.766 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.22 -34.35 77.82 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-O 121.375 0.607 . . . . 0.0 110.182 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.434 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -79.1 -7.98 58.6 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.636 178.716 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -20.21 26.41 Favored 'General case' 0 N--CA 1.417 -2.116 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -175.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.05 30.18 2.75 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.224 -175.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 10.2 p -86.11 -40.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.451 -173.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.04 22.5 0.97 Allowed 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -91.46 111.32 22.78 Favored 'General case' 0 N--CA 1.405 -2.709 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.842 -169.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -122.98 -15.46 7.34 Favored 'General case' 0 C--N 1.275 -2.636 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.049 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -133.88 6.75 3.71 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.111 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.75 -14.25 3.2 Favored 'General case' 0 CA--C 1.47 -2.115 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -169.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -71.01 96.45 1.31 Allowed 'General case' 0 N--CA 1.412 -2.327 0 CA-C-O 122.744 1.259 . . . . 0.0 111.637 -169.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.79 28.77 70.63 Favored Glycine 0 CA--C 1.5 -0.895 0 CA-C-N 112.991 -1.913 . . . . 0.0 111.622 -172.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.11 -43.21 5.32 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tt -94.36 -36.7 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.797 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.174 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -44.93 95.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 m -117.41 67.81 0.75 Allowed 'General case' 0 N--CA 1.386 -3.662 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.7 m -68.86 -2.83 10.54 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.186 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 p -66.28 -27.41 67.92 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 124.865 1.266 . . . . 0.0 110.232 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -72.97 -22.7 60.65 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 109.595 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.9 t -90.11 -8.63 10.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 CA-C-N 114.308 -1.315 . . . . 0.0 108.03 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.06 14.97 75.95 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.858 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 m 60.84 25.66 15.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.08 0.952 . . . . 0.0 110.452 -177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.78 -34.04 75.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.58 1.552 . . . . 0.0 109.805 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -81.82 38.04 0.5 Allowed 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 125.442 1.497 . . . . 0.0 111.794 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt . . . . . 0 C--O 1.239 0.551 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.9 p -127.24 151.46 48.69 Favored 'General case' 0 N--CA 1.423 -1.783 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 171.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -141.5 21.69 2.19 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 122.151 0.976 . . . . 0.0 110.507 -170.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -99.01 160.28 14.37 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -18.97 65.55 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.241 1.016 . . . . 0.0 110.761 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.7 m -83.97 -13.99 51.96 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.332 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -131.09 -42.47 1.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.987 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.5 -22.68 66.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 122.101 0.953 . . . . 0.0 109.196 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 5.5 p -68.7 -31.13 70.0 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.974 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -74.98 -31.73 61.51 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.244 -1.344 . . . . 0.0 108.349 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -67.59 -38.44 84.01 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 9' ' ' THR . 48.3 mt -63.2 -38.44 91.2 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.623 173.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.04 -28.8 69.13 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.51 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -81.96 -11.63 58.77 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.86 -16.83 39.92 Favored 'General case' 0 N--CA 1.418 -2.067 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -135.02 26.33 3.58 Favored 'General case' 0 N--CA 1.39 -3.435 0 CA-C-O 121.829 0.823 . . . . 0.0 110.919 -177.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 10.3 p -86.71 -41.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.625 0.726 . . . . 0.0 111.504 -174.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.19 18.09 1.38 Allowed 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.451 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . 3.7 m -101.54 104.43 15.33 Favored 'General case' 0 N--CA 1.398 -3.027 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.771 -167.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -128.1 -10.66 5.33 Favored 'General case' 0 C--N 1.28 -2.442 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.462 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' C ' HD22 ' A' ' 22' ' ' ASN . 93.9 m-20 -135.58 17.99 3.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.532 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -137.82 -44.46 0.53 Allowed 'General case' 0 CA--C 1.466 -2.267 0 O-C-N 122.101 -0.374 . . . . 0.0 111.393 -170.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.451 ' HB3' ' CB ' ' A' ' 19' ' ' SER . 2.7 p90 -50.79 99.54 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 122.881 1.324 . . . . 0.0 112.467 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' H ' ' A' ' 28' ' ' SER . . . 68.07 12.54 62.97 Favored Glycine 0 C--N 1.292 -1.903 0 CA-C-N 113.493 -1.685 . . . . 0.0 113.597 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . -88.44 -32.53 18.25 Favored 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' ASN . 3.3 tt -103.86 -52.53 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.743 0 CA-C-N 112.562 -2.108 . . . . 0.0 108.827 173.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -49.0 67.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.769 1.228 . . . . 0.0 111.696 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.467 ' H ' ' HA2' ' A' ' 24' ' ' GLY . 48.3 m -101.66 -13.13 17.92 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-O 121.607 0.718 . . . . 0.0 109.524 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 25' ' ' ALA . 32.9 m 62.47 28.92 17.03 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.419 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 25' ' ' ALA . 10.2 t -55.55 -32.53 63.06 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-O 121.079 0.466 . . . . 0.0 112.065 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -102.87 16.46 26.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.443 0.639 . . . . 0.0 111.731 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.2 15.85 4.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 122.673 1.225 . . . . 0.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.98 52.84 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.102 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -77.1 -42.34 38.46 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -121.62 -26.0 5.0 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.62 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.9 p -76.46 96.62 4.11 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.208 0.528 . . . . 0.0 111.616 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.4 p -140.47 152.49 45.68 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 120.311 -0.555 . . . . 0.0 112.083 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -142.51 20.44 2.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.037 0.923 . . . . 0.0 110.116 -173.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -99.12 161.02 13.85 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.89 64.33 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 124.781 1.232 . . . . 0.0 111.651 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.2 m -88.51 -14.88 36.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.235 0.54 . . . . 0.0 111.443 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 8.1 t -128.22 -39.66 1.7 Allowed 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 118.933 -1.107 . . . . 0.0 112.892 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.02 -26.79 68.42 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -68.08 -31.0 70.33 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.095 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.78 -38.77 64.55 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 23.5 mmm180 -64.87 -39.78 94.08 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mt -63.07 -39.72 95.55 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.414 173.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HA ' HD23 ' A' ' 16' ' ' LEU . . . -64.86 -28.13 69.34 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.129 0.49 . . . . 0.0 110.418 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -76.71 -16.81 59.41 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.742 0.782 . . . . 0.0 110.675 177.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.623 ' O ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -76.14 -20.65 57.41 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.023 173.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 13' ' ' ALA . 2.7 mm? -95.35 -52.79 4.02 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG22 ' HD2' ' A' ' 18' ' ' HIS . 5.6 p -25.65 -60.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 127.939 2.496 . . . . 0.0 115.803 -168.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.564 ' HD2' HG22 ' A' ' 17' ' ' VAL . 12.6 m-70 -139.22 16.24 2.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.623 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.4 m -102.94 -21.85 13.91 Favored 'General case' 0 N--CA 1.395 -3.209 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.001 -173.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.503 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 32.0 m -65.55 -2.69 3.62 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -174.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -120.26 3.03 10.88 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 122.965 0.506 . . . . 0.0 110.831 177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -138.36 -39.25 0.53 Allowed 'General case' 0 CA--C 1.472 -2.038 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -169.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -49.68 94.6 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 125.807 1.643 . . . . 0.0 113.742 -174.261 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 66.33 38.94 94.09 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 113.225 -1.807 . . . . 0.0 112.419 -175.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.01 -55.95 2.45 Favored 'General case' 0 C--N 1.283 -2.298 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 170.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.1 tt -85.28 -33.36 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.152 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.11 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.18 -46.41 74.04 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.809 178.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -77.82 -28.77 50.38 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.078 -174.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m 76.34 17.07 2.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.615 1.166 . . . . 0.0 110.107 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.5 p 63.21 -36.6 0.15 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.05 2.54 . . . . 0.0 117.532 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -102.37 24.29 10.53 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 123.053 1.406 . . . . 0.0 109.732 -161.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.7 m -106.82 6.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.497 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.675 -176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.35 18.84 27.37 Favored Glycine 0 C--N 1.305 -1.173 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.331 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 m -141.77 95.51 2.83 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -153.3 105.7 2.9 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -94.77 11.14 32.48 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-O 121.765 0.793 . . . . 0.0 110.457 -175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.9 pttt . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.4 p -147.17 157.01 43.46 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -137.89 18.8 2.84 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 120.892 0.377 . . . . 0.0 111.84 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -98.85 157.54 16.23 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.461 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -19.11 64.67 Favored 'General case' 0 C--O 1.209 -1.076 0 C-N-CA 124.248 1.019 . . . . 0.0 110.867 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 m -80.19 -23.36 41.06 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.336 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -123.4 -48.76 1.94 Allowed 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -166.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.38 -28.72 69.97 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-O 121.532 0.682 . . . . 0.0 109.444 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 17.3 p -68.01 -31.53 71.29 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.848 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -74.88 -37.46 62.16 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.071 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -38.03 89.62 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' THR . 32.7 mt -62.89 -41.56 99.46 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.835 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -67.35 -29.36 68.89 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.183 0.516 . . . . 0.0 110.447 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -81.75 -8.42 59.69 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.714 0.805 . . . . 0.0 111.14 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -19.03 25.99 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -174.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -132.15 18.38 4.51 Favored 'General case' 0 N--CA 1.379 -3.999 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.182 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.506 HG22 ' HD2' ' A' ' 18' ' ' HIS . 12.9 p -69.4 -58.79 4.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.256 -173.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.506 ' HD2' HG22 ' A' ' 17' ' ' VAL . 27.7 m-70 -127.16 6.59 6.48 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 m -72.69 -13.08 61.27 Favored 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.591 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -58.64 -12.54 4.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.199 1.8 . . . . 0.0 112.844 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -88.0 -10.41 50.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.602 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.74 -41.7 2.78 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 7.7 m-85 -58.38 92.39 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.767 176.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' H ' ' HB3' ' A' ' 27' ' ' LEU . . . 85.55 23.4 47.19 Favored Glycine 0 C--N 1.273 -2.924 0 CA-C-N 111.912 -2.404 . . . . 0.0 113.304 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.42 -59.88 1.73 Allowed 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 103.884 -2.635 . . . . 0.0 103.884 171.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 26' ' ' ILE . 7.6 tt -88.74 -33.57 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.251 0 CA-C-N 113.155 -1.839 . . . . 0.0 109.279 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' H ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -66.93 -44.01 81.8 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-O 121.637 0.732 . . . . 0.0 109.391 -177.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -82.94 -13.81 55.33 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.769 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 m 66.8 23.93 9.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.589 -1.641 . . . . 0.0 112.415 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 t -83.29 -19.47 36.24 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -127.17 78.65 1.83 Allowed 'General case' 0 N--CA 1.431 -1.423 0 CA-C-O 122.301 1.048 . . . . 0.0 109.417 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -142.91 -47.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.27 11.33 10.83 Favored Glycine 0 N--CA 1.437 -1.295 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.203 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 t -126.73 -52.16 1.46 Allowed 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.96 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -64.63 -33.78 76.74 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.712 0.767 . . . . 0.0 110.172 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 p -104.99 12.65 32.06 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.199 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.36 161.36 34.73 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.692 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -136.89 11.96 3.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.742 0.306 . . . . 0.0 111.672 -171.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -99.56 158.63 15.61 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.042 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -19.08 64.23 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 124.846 1.259 . . . . 0.0 110.98 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.9 m -80.96 -18.87 45.52 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.913 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -128.38 -44.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -167.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.6 -25.56 67.45 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.662 0.744 . . . . 0.0 109.046 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 11.0 p -68.34 -31.31 70.62 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.61 176.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.19 -31.48 60.96 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.831 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -69.15 -36.9 77.92 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 9' ' ' THR . 39.6 mt -62.93 -39.37 94.38 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.2 172.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -64.32 -33.95 77.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.528 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.03 -8.4 59.35 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -19.28 27.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -176.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -134.49 25.45 3.77 Favored 'General case' 0 N--CA 1.39 -3.474 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.451 -177.252 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 11.2 p -78.41 -64.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.134 -176.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.444 ' H ' HG13 ' A' ' 17' ' ' VAL . 32.2 m-70 -119.16 -10.29 9.81 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 23' ' ' PHE . 13.7 m -58.87 -20.14 48.4 Favored 'General case' 0 C--O 1.2 -1.51 0 C-N-CA 125.486 1.514 . . . . 0.0 111.261 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.666 ' HA ' ' CE1' ' A' ' 23' ' ' PHE . 3.8 m -55.57 -11.75 0.99 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 127.757 2.423 . . . . 0.0 113.259 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -112.78 -0.79 14.87 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.674 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.55 -39.87 0.51 Allowed 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.666 ' CE1' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -51.69 95.59 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.287 1.518 . . . . 0.0 112.736 -174.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 65.1 12.48 55.2 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.122 -1.854 . . . . 0.0 114.034 -175.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.76 -37.74 20.47 Favored 'General case' 0 CA--C 1.462 -2.442 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tt -106.69 -47.6 8.47 Favored 'Isoleucine or valine' 1 N--CA 1.372 -4.354 0 CA-C-N 112.649 -2.068 . . . . 0.0 111.622 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 4.6 pp -75.46 -27.42 58.87 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.8 m -80.84 -19.27 44.94 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.916 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.2 m 70.9 -28.69 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.828 1.651 . . . . 0.0 114.701 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 t -57.84 -40.02 79.06 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 120.995 0.426 . . . . 0.0 110.049 175.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.68 0.71 29.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.8 t -98.86 -0.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 20.13 49.41 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.43 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 t -90.07 -11.76 40.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' ND2' ' HD1' ' A' ' 37' ' ' TYC . 26.2 t-20 -149.6 105.39 3.44 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -104.53 19.41 20.39 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.741 0.781 . . . . 0.0 109.798 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . 0.465 ' HD1' ' ND2' ' A' ' 35' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.238 0.468 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 p -137.1 165.17 26.68 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -144.76 18.83 1.65 Allowed 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.5 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 t -100.08 159.85 14.78 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.13 -19.01 65.54 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 121.562 0.696 . . . . 0.0 110.491 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -79.6 -15.37 57.76 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.93 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -131.68 -44.2 0.99 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -169.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 11' ' ' ARG . . . -62.24 -29.92 70.74 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 122.402 1.096 . . . . 0.0 109.254 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 17.7 p -68.9 -32.08 71.47 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.021 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -74.41 -39.53 62.59 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.165 -1.38 . . . . 0.0 108.2 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HD3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -67.61 -31.03 70.79 Favored 'General case' 0 C--O 1.211 -0.953 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.665 177.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' THR . 19.8 mt -62.23 -40.91 97.71 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.254 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.68 70.12 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 121.41 0.624 . . . . 0.0 109.93 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.463 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -82.38 -8.37 59.63 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' HD2' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -88.7 -16.35 32.51 Favored 'General case' 0 CA--C 1.488 -1.418 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -173.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.4 19.01 3.97 Favored 'General case' 1 N--CA 1.372 -4.336 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.491 -177.217 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' H ' ' A' ' 18' ' ' HIS . 8.9 p -67.56 -60.59 2.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.886 -174.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.43 ' H ' HG13 ' A' ' 17' ' ' VAL . 25.4 m-70 -119.9 -3.75 10.19 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 172.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.479 ' HB3' ' HB3' ' A' ' 23' ' ' PHE . 34.0 m -72.56 -19.96 61.41 Favored 'General case' 0 C--O 1.182 -2.482 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.315 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 2.9 p -55.18 -20.22 9.9 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 127.056 2.142 . . . . 0.0 113.333 -175.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -109.14 2.82 21.31 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.854 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -135.59 -40.88 0.7 Allowed 'General case' 0 CA--C 1.474 -1.978 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -172.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -58.56 89.65 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.837 1.78 . . . . 0.0 113.196 -171.678 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' HG ' ' A' ' 27' ' ' LEU . . . 64.6 32.24 83.55 Favored Glycine 0 C--N 1.288 -2.121 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.003 -172.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.41 -41.42 5.3 Favored 'General case' 0 CA--C 1.474 -1.96 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 22' ' ' ASN . 7.8 tt -93.44 -37.45 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.05 0 CA-C-N 113.203 -1.817 . . . . 0.0 109.339 176.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' HG ' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -66.14 -46.77 76.3 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 121.714 0.769 . . . . 0.0 109.133 179.171 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -82.66 -22.44 34.62 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.699 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 34' ' ' SER . 2.6 m 60.08 30.52 19.98 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.843 1.257 . . . . 0.0 110.857 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.423 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 8.0 p -62.84 -39.26 93.83 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 125.05 1.34 . . . . 0.0 111.923 -174.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -102.06 4.25 39.55 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.272 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.5 t -93.52 -16.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.4 23.34 56.83 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.309 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 29' ' ' SER . 2.1 m -106.13 -60.61 1.62 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 88.1 m-20 73.58 81.83 0.12 Allowed 'General case' 0 CA--C 1.487 -1.463 0 C-N-CA 124.737 1.215 . . . . 0.0 109.19 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -104.84 -4.53 22.13 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 113.536 -1.666 . . . . 0.0 110.72 -172.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.2 p -155.53 155.07 32.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -138.86 22.9 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.846 0.831 . . . . 0.0 110.935 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.8 t -99.71 158.41 15.79 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.79 -19.07 64.72 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.289 1.035 . . . . 0.0 111.178 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.2 m -85.14 -13.75 49.16 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.282 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -129.86 -40.53 1.35 Allowed 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.009 -1.076 . . . . 0.0 113.047 -169.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -65.81 -24.52 66.93 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.901 0.858 . . . . 0.0 108.975 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 10.3 p -69.16 -31.52 70.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.71 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.15 -36.67 64.13 Favored 'General case' 0 CA--C 1.488 -1.441 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.63 -38.37 90.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 9' ' ' THR . 35.5 mt -63.06 -41.2 99.41 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.867 174.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 17' ' ' VAL . . . -66.72 -31.37 71.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -8.64 59.72 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.477 0.711 . . . . 0.0 110.843 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -23.53 24.64 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.55 17.44 6.41 Favored 'General case' 0 N--CA 1.385 -3.701 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.539 -177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG22 ' HD2' ' A' ' 18' ' ' HIS . 13.5 p -65.31 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' HD2' HG22 ' A' ' 17' ' ' VAL . 18.5 m-70 -121.04 2.89 10.48 Favored 'General case' 0 CA--C 1.478 -1.81 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.442 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 9.9 m -65.4 -17.24 64.38 Favored 'General case' 0 N--CA 1.426 -1.636 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.866 -176.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -62.62 1.3 0.39 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.654 1.582 . . . . 0.0 112.535 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 19' ' ' SER . 43.4 m-80 -100.93 -3.59 29.3 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.897 0.856 . . . . 0.0 110.1 -178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.66 -47.34 1.41 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 6.3 m-85 -54.32 97.16 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.048 -1.887 . . . . 0.0 111.495 174.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.15 37.44 94.5 Favored Glycine 0 C--N 1.294 -1.778 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.357 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.41 -54.84 2.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 N-CA-C 105.169 -2.16 . . . . 0.0 105.169 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 tt -84.02 -38.14 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.862 0 CA-C-N 112.569 -2.105 . . . . 0.0 107.983 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.497 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -93.39 0.1 56.73 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.567 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m 53.95 38.39 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-O 121.749 0.785 . . . . 0.0 111.761 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 p -104.29 9.84 35.78 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.772 0.796 . . . . 0.0 111.81 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.77 2.34 44.03 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 t -80.11 -30.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.44 -27.69 1.81 Allowed Glycine 0 N--CA 1.434 -1.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.44 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 61.53 33.35 18.47 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.127 0.971 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -80.0 93.06 5.66 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.758 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -90.65 -2.84 57.84 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.785 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.9 pttt . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.1 p -135.48 166.58 22.85 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -150.91 20.85 0.78 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.055 0.455 . . . . 0.0 111.537 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.4 t -100.07 159.8 14.82 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -19.75 65.52 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.806 0.843 . . . . 0.0 110.996 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -80.23 -14.94 58.03 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.488 0.661 . . . . 0.0 110.742 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 11.4 t -131.15 -45.7 1.01 Allowed 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 119.602 -0.839 . . . . 0.0 113.208 -167.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -62.76 -26.56 68.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.331 0.586 . . . . 0.0 109.51 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 9.7 p -67.26 -32.97 74.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.871 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -73.95 -38.78 64.13 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.753 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 13.3 mmm180 -66.07 -35.53 80.78 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 9' ' ' THR . 26.0 mt -63.53 -40.87 98.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.524 173.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.72 -29.63 69.66 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.867 0.841 . . . . 0.0 109.748 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -82.0 -8.6 59.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.203 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -14.99 33.93 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.09 17.46 4.58 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.466 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG13 ' H ' ' A' ' 18' ' ' HIS . 14.5 p -71.08 -65.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.722 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.408 ' H ' HG13 ' A' ' 17' ' ' VAL . 16.6 m-70 -117.51 -1.79 11.62 Favored 'General case' 0 CA--C 1.484 -1.575 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.72 -25.04 59.8 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 125.943 1.697 . . . . 0.0 110.926 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.645 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 3.5 m -55.06 -20.11 8.78 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 126.692 1.997 . . . . 0.0 112.269 -175.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -103.56 0.44 30.89 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.428 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -138.27 -43.11 0.51 Allowed 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.444 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.645 ' CE2' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -50.12 86.7 0.0 OUTLIER 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 126.309 1.844 . . . . 0.0 114.291 -172.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . 61.67 27.75 68.73 Favored Glycine 0 C--O 1.197 -2.175 0 CA-C-N 113.305 -1.77 . . . . 0.0 111.934 -171.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.8 -43.58 7.8 Favored 'General case' 0 CA--C 1.468 -2.186 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ASN . 4.6 tt -88.72 -40.79 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.474 0 CA-C-N 112.294 -2.23 . . . . 0.0 109.013 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -46.89 86.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.313 178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.486 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 44.1 t -83.41 -10.26 58.52 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.277 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m 61.15 16.23 7.0 Favored 'General case' 0 C--O 1.246 0.902 0 C-N-CA 124.536 1.134 . . . . 0.0 111.999 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 8.1 t -64.68 -33.51 76.12 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.139 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -98.73 -15.08 19.48 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.96 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.95 -30.09 35.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.35 4.62 30.61 Favored Glycine 0 N--CA 1.434 -1.442 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.214 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -76.55 -11.48 59.88 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 30' ' ' THR . 47.0 t30 -75.77 -27.76 58.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.396 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -87.63 6.16 35.98 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.611 0.72 . . . . 0.0 112.547 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_