data_1hcd_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 1hcd _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 115.719 -2.086 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.8 155.73 26.68 Favored Glycine 1 N--CA 1.561 6.968 0 C-N-CA 116.057 -2.973 . . . . 0.0 115.249 -175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.41 HD21 ' CD2' ' A' ' 35' ' ' HIS . 8.8 t-20 -151.42 47.69 0.82 Allowed 'General case' 0 N--CA 1.518 2.947 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' PHE 0.446 10.2 ttt180 -164.76 -100.61 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.506 0 N-CA-C 121.161 3.763 . . . . 0.0 121.161 -179.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -147.54 161.96 40.05 Favored 'General case' 0 N--CA 1.527 3.42 0 CA-C-N 119.784 1.175 . . . . 0.0 112.375 -171.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.25 115.23 26.33 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -90.91 131.54 36.47 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.461 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' A' ' 8' ' ' SER 0.267 82.2 p -114.59 69.41 0.71 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.551 ' C ' ' H ' ' A' ' 11' ' ' GLY . 16.6 t-80 86.55 153.17 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.46 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.544 ' N ' ' HD1' ' A' ' 9' ' ' HIS . 2.1 t60 -58.51 6.13 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.461 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . -79.91 -30.77 41.82 Favored Glycine 0 N--CA 1.482 1.746 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 178.89 164.06 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 120.343 2.071 . . . . 0.0 110.698 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -132.93 136.22 46.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.416 174.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 mt -44.93 123.57 3.9 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.341 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 t -155.9 -169.21 3.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.14 163.65 15.34 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 121.217 0.532 . . . . 0.0 110.323 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -160.21 108.66 1.69 Allowed 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.538 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.94 -132.22 41.02 Favored Glycine 0 N--CA 1.513 3.82 0 C-N-CA 118.561 -1.781 . . . . 0.0 110.491 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -95.02 39.56 1.11 Allowed 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.47 165.14 37.5 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.56 138.39 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.24 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -149.75 -163.93 1.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -137.62 136.01 37.11 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.19 -169.81 2.11 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.88 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 8.4 p80 -119.29 152.07 37.35 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.562 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.82 128.34 23.36 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.944 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -168.63 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' ND1' ' O ' ' A' ' 28' ' ' HIS . 25.3 p80 -85.78 124.33 32.16 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.77 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 50.37 -178.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.76 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -73.75 137.22 43.82 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' ND1' ' N ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -83.7 102.77 12.49 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.1 p -44.31 129.29 6.39 Favored 'General case' 0 N--CA 1.509 2.49 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.624 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CD2' ' H ' ' A' ' 33' ' ' HIS 0.251 0.5 OUTLIER -100.96 174.45 6.01 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -169.184 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 4' ' ' ARG . 28.8 m-85 -118.28 147.59 43.29 Favored 'General case' 0 N--CA 1.527 3.405 0 CA-C-O 121.835 0.826 . . . . 0.0 109.616 176.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' CD2' HD21 ' A' ' 3' ' ' ASN . 64.1 t-80 -118.52 120.95 39.06 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.074 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 p -115.52 122.55 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.119 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -133.24 169.36 17.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 127.241 2.838 . . . . 0.0 104.988 -165.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -95.06 160.14 14.7 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 38' ' ' ASN . 4.0 m-70 -155.43 121.79 5.22 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.507 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.41 -124.58 19.01 Favored Glycine 0 N--CA 1.495 2.608 0 C-N-CA 119.27 -1.443 . . . . 0.0 111.227 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.48 13.75 54.33 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -137.72 -167.85 2.22 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 74' ' ' PHE . 7.1 m -134.29 150.78 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.594 0 CA-C-O 125.305 2.478 . . . . 0.0 114.399 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.67 26.29 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 109.967 -3.288 . . . . 0.0 113.824 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -116.67 128.19 55.13 Favored 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 111.758 -2.473 . . . . 0.0 110.412 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.32 155.66 40.07 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.536 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 t -164.06 28.61 0.08 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 119.108 0.867 . . . . 0.0 110.916 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 2.2 t60 -173.03 15.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.141 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 48' ' ' HIS . 27.2 p 45.05 41.56 5.64 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.557 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.88 2.51 0.03 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -135.82 128.9 31.58 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 118.286 1.043 . . . . 0.0 110.473 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -124.08 141.51 51.99 Favored 'General case' 0 N--CA 1.522 3.17 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.6 149.8 3.06 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 120.623 1.556 . . . . 0.0 107.412 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' A' ' 64' ' ' SER . 14.2 m -156.44 160.42 39.58 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 177.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 pt -153.87 141.33 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.829 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.43 -60.93 1.34 Allowed Glycine 0 N--CA 1.511 3.635 0 C-N-CA 119.164 -1.493 . . . . 0.0 112.124 -172.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 166.59 178.02 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -175.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.543 ' HD1' ' HZ1' ' A' ' 59' ' ' LYS . 3.5 t-80 47.43 -80.61 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.741 1.275 . . . . 0.0 111.547 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.543 ' HZ1' ' HD1' ' A' ' 58' ' ' HIS . 22.5 pttm -161.05 46.28 0.2 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.682 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -124.16 142.58 51.1 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.986 0.898 . . . . 0.0 109.56 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.47 149.36 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.518 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -165.95 -171.22 1.96 Allowed 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 119.387 -0.925 . . . . 0.0 112.549 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mp -124.17 130.98 53.47 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.345 -173.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.591 ' H ' ' HG ' ' A' ' 54' ' ' SER . 8.5 t -114.93 -141.93 0.38 Allowed 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 175.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -175.88 3.06 Favored 'General case' 0 N--CA 1.531 3.576 0 CA-C-O 121.368 0.604 . . . . 0.0 111.636 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -67.31 148.79 51.22 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -170.61 146.9 2.79 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -168.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -109.23 123.75 49.75 Favored 'General case' 0 N--CA 1.524 3.249 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.64 -105.39 0.27 Allowed Glycine 0 N--CA 1.502 3.087 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 88' ' ' HIS . 4.9 t70 -171.56 162.31 6.45 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 114.448 -2.691 . . . . 0.0 106.763 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 t-80 98.26 -43.2 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.233 0 CA-C-N 123.189 2.722 . . . . 0.0 108.692 174.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.93 -53.12 3.24 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -93.29 171.52 8.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 164.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 73' ' ' LEU . 68.4 m-85 -143.46 171.26 14.38 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-O 124.178 1.942 . . . . 0.0 112.882 -169.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -123.77 112.33 17.2 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 111.408 -2.633 . . . . 0.0 103.956 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . 0.37 0.1 OUTLIER -129.21 145.18 51.38 Favored 'General case' 0 C--N 1.251 -3.694 0 CA-C-N 112.962 -1.926 . . . . 0.0 106.173 -171.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' OE2' ' N ' ' A' ' 78' ' ' HIS . 8.8 tp10 -158.84 150.05 20.44 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.401 -170.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' N ' ' OE2' ' A' ' 77' ' ' GLU . 6.6 m-70 -65.24 177.32 1.1 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.707 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.79 83.37 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.048 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.28 -77.39 0.12 Allowed Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.748 -1.215 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.52 -3.9 2.6 Favored Glycine 0 N--CA 1.504 3.189 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -115.97 -163.2 0.88 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 84' ' ' SER . 1.6 p -148.77 168.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-O 122.779 1.276 . . . . 0.0 107.92 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.483 ' N ' ' CG2' ' A' ' 83' ' ' VAL . 12.2 m -146.18 144.88 30.22 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 112.729 -2.032 . . . . 0.0 109.841 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -117.34 144.71 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.67 137.51 22.75 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.29 -154.06 10.5 Favored Glycine 0 N--CA 1.504 3.191 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.24 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.621 ' CG ' ' H ' ' A' ' 89' ' ' HIS . 13.9 t60 -72.5 -167.11 0.31 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 117.612 0.706 . . . . 0.0 111.318 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.621 ' H ' ' CG ' ' A' ' 88' ' ' HIS . 32.3 m80 42.25 23.33 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 CA-C-O 122.07 0.938 . . . . 0.0 111.877 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 48.5 t-80 51.85 33.47 11.48 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.576 -1.647 . . . . 0.0 111.81 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 88' ' ' HIS . 9.3 p-80 -93.65 157.38 16.2 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -111.69 165.45 12.03 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 103.172 -2.899 . . . . 0.0 103.172 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.259 0.4 OUTLIER -103.8 142.17 18.0 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.167 0 N-CA-C 101.414 -3.55 . . . . 0.0 101.414 -172.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 t -118.96 159.59 23.54 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 112.412 -2.176 . . . . 0.0 113.817 -164.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.58 106.29 2.9 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 3.1 p30 -101.95 62.72 0.9 Allowed 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -173.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.2 t60 58.79 -130.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 114.379 -1.282 . . . . 0.0 108.613 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -72.69 1.95 7.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.205 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 100' ' ' HIS . . . -75.52 -10.72 84.64 Favored Glycine 0 N--CA 1.498 2.783 0 C-N-CA 119.29 -1.433 . . . . 0.0 110.545 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER 92.95 -175.79 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.021 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 100' ' ' HIS . 3.3 t -98.44 140.31 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 CA-C-N 115.155 -0.93 . . . . 0.0 113.195 -175.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -157.8 -148.09 0.19 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p -145.23 151.43 38.38 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.461 1.124 . . . . 0.0 110.146 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -138.98 151.58 46.97 Favored 'General case' 0 N--CA 1.504 2.274 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.336 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -81.11 -42.95 20.16 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.114 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.698 ' CG ' ' H ' ' A' ' 107' ' ' HIS . 41.3 t60 -53.06 -169.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.214 1.006 . . . . 0.0 111.96 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.698 ' H ' ' CG ' ' A' ' 106' ' ' HIS . 13.4 t-80 -165.35 113.68 1.01 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 114.112 -1.403 . . . . 0.0 109.88 -177.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -168.65 -89.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -132.46 -34.77 1.18 Allowed 'General case' 0 N--CA 1.51 2.531 0 CA-C-O 120.781 0.324 . . . . 0.0 110.386 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.67 -30.06 65.15 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.835 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.7 t -135.11 51.98 2.06 Favored 'General case' 0 N--CA 1.51 2.552 0 CA-C-O 121.055 0.455 . . . . 0.0 110.314 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.84 132.81 21.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 101.497 -3.52 . . . . 0.0 101.497 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -116.25 179.55 3.96 Favored 'General case' 0 C--O 1.205 -1.245 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -173.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -108.84 171.64 7.31 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -115.77 115.85 27.02 Favored 'General case' 0 N--CA 1.516 2.87 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.444 -173.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -117.1 141.46 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 179.261 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.02 -149.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 CA-C-N 112.283 -2.235 . . . . 0.0 108.147 -167.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.443 HD11 ' H ' ' A' ' 118' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 116.294 -1.812 . . . . 0.0 110.806 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 115.719 -2.086 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.509 ' CA ' HG12 ' A' ' 36' ' ' VAL . . . -146.8 155.73 26.68 Favored Glycine 1 N--CA 1.561 6.968 0 C-N-CA 116.057 -2.973 . . . . 0.0 115.249 -175.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.42 47.69 0.82 Allowed 'General case' 0 N--CA 1.518 2.947 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' PHE 0.446 10.2 ttt180 -164.76 -100.61 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.506 0 N-CA-C 121.161 3.763 . . . . 0.0 121.161 -179.345 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -147.54 161.96 40.05 Favored 'General case' 0 N--CA 1.527 3.42 0 CA-C-N 119.784 1.175 . . . . 0.0 112.375 -171.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.25 115.23 26.33 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -90.91 131.54 36.47 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.461 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 9' ' ' HIS 0.267 82.2 p -114.59 69.41 0.71 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.524 ' C ' ' H ' ' A' ' 11' ' ' GLY . 16.6 t-80 86.55 153.17 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.46 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 2.1 t60 -58.51 6.13 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.461 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . -79.91 -30.77 41.82 Favored Glycine 0 N--CA 1.482 1.746 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 178.89 164.06 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 120.343 2.071 . . . . 0.0 110.698 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -132.93 136.22 46.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.416 174.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 mt -44.93 123.57 3.9 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.341 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 t -155.9 -169.21 3.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.14 163.65 15.34 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 121.217 0.532 . . . . 0.0 110.323 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -160.21 108.66 1.69 Allowed 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.538 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.94 -132.22 41.02 Favored Glycine 0 N--CA 1.513 3.82 0 C-N-CA 118.561 -1.781 . . . . 0.0 110.491 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 1.5 pm0 -95.02 39.56 1.11 Allowed 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.47 165.14 37.5 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.56 138.39 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.24 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -149.75 -163.93 1.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -137.62 136.01 37.11 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.19 -169.81 2.11 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.88 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -119.29 152.07 37.35 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.562 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.82 128.34 23.36 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.944 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -168.63 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' O ' ' ND1' ' A' ' 28' ' ' HIS . 25.3 p80 -85.78 124.33 32.16 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.77 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 50.37 -178.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.76 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -73.75 137.22 43.82 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' ND1' ' N ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -83.7 102.77 12.49 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.1 p -44.31 129.29 6.39 Favored 'General case' 0 N--CA 1.509 2.49 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.624 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . 0.251 0.1 OUTLIER -100.96 174.45 6.01 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -169.184 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 4' ' ' ARG . 28.8 m-85 -118.28 147.59 43.29 Favored 'General case' 0 N--CA 1.527 3.405 0 CA-C-O 121.835 0.826 . . . . 0.0 109.616 176.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -118.52 120.95 39.06 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.074 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.509 HG12 ' CA ' ' A' ' 2' ' ' GLY . 1.2 p -115.52 122.55 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.119 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -133.24 169.36 17.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 127.241 2.838 . . . . 0.0 104.988 -165.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.06 160.14 14.7 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -155.43 121.79 5.22 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.507 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.41 -124.58 19.01 Favored Glycine 0 N--CA 1.495 2.608 0 C-N-CA 119.27 -1.443 . . . . 0.0 111.227 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.48 13.75 54.33 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -137.72 -167.85 2.22 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 74' ' ' PHE . 7.1 m -134.29 150.78 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.594 0 CA-C-O 125.305 2.478 . . . . 0.0 114.399 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.67 26.29 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 109.967 -3.288 . . . . 0.0 113.824 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -116.67 128.19 55.13 Favored 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 111.758 -2.473 . . . . 0.0 110.412 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.32 155.66 40.07 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.536 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 t -164.06 28.61 0.08 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 119.108 0.867 . . . . 0.0 110.916 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 2.2 t60 -173.03 15.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.141 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 48' ' ' HIS . 27.2 p 45.05 41.56 5.64 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.557 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' A' ' 51' ' ' LYS . . . -172.88 2.51 0.03 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' H ' ' H ' ' A' ' 50' ' ' GLY . 71.4 mmtt -135.82 128.9 31.58 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 118.286 1.043 . . . . 0.0 110.473 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -124.08 141.51 51.99 Favored 'General case' 0 N--CA 1.522 3.17 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 53' ' ' LEU . 5.2 mt -50.6 149.8 3.06 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 120.623 1.556 . . . . 0.0 107.412 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.2 m -156.44 160.42 39.58 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.638 HD11 ' NE2' ' A' ' 91' ' ' HIS . 5.5 pt -153.87 141.33 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.829 -176.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' HA3' HE21 ' A' ' 60' ' ' GLN . . . -90.43 -60.93 1.34 Allowed Glycine 0 N--CA 1.511 3.635 0 C-N-CA 119.164 -1.493 . . . . 0.0 112.124 -172.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 166.59 178.02 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -175.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 47.43 -80.61 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.741 1.275 . . . . 0.0 111.547 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' ASP . 22.5 pttm -161.05 46.28 0.2 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.682 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.511 HE21 ' HA3' ' A' ' 56' ' ' GLY . 13.8 pt20 -124.16 142.58 51.1 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.986 0.898 . . . . 0.0 109.56 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.47 149.36 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.518 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' HD12 ' A' ' 63' ' ' LEU . 37.1 p90 -165.95 -171.22 1.96 Allowed 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 119.387 -0.925 . . . . 0.0 112.549 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 62' ' ' TYR . 6.4 mp -124.17 130.98 53.47 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.345 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -114.93 -141.93 0.38 Allowed 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -175.88 3.06 Favored 'General case' 0 N--CA 1.531 3.576 0 CA-C-O 121.368 0.604 . . . . 0.0 111.636 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -67.31 148.79 51.22 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.655 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -170.61 146.9 2.79 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -168.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -109.23 123.75 49.75 Favored 'General case' 0 N--CA 1.524 3.249 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.64 -105.39 0.27 Allowed Glycine 0 N--CA 1.502 3.087 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 88' ' ' HIS . 4.9 t70 -171.56 162.31 6.45 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 114.448 -2.691 . . . . 0.0 106.763 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 t-80 98.26 -43.2 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.233 0 CA-C-N 123.189 2.722 . . . . 0.0 108.692 174.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.489 ' HB3' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -99.93 -53.12 3.24 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.905 HD12 ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -93.29 171.52 8.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 164.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.905 ' N ' HD12 ' A' ' 73' ' ' LEU . 68.4 m-85 -143.46 171.26 14.38 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-O 124.178 1.942 . . . . 0.0 112.882 -169.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -123.77 112.33 17.2 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 111.408 -2.633 . . . . 0.0 103.956 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 77' ' ' GLU 0.37 0.1 OUTLIER -129.21 145.18 51.38 Favored 'General case' 0 C--N 1.251 -3.694 0 CA-C-N 112.962 -1.926 . . . . 0.0 106.173 -171.659 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 76' ' ' LEU . 8.8 tp10 -158.84 150.05 20.44 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.401 -170.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' N ' ' OE2' ' A' ' 77' ' ' GLU . 6.6 m-70 -65.24 177.32 1.1 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.707 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.79 83.37 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.048 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.28 -77.39 0.12 Allowed Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.748 -1.215 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.52 -3.9 2.6 Favored Glycine 0 N--CA 1.504 3.189 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -115.97 -163.2 0.88 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 84' ' ' SER . 1.6 p -148.77 168.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-O 122.779 1.276 . . . . 0.0 107.92 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.483 ' N ' ' CG2' ' A' ' 83' ' ' VAL . 12.2 m -146.18 144.88 30.22 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 112.729 -2.032 . . . . 0.0 109.841 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -117.34 144.71 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.67 137.51 22.75 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.29 -154.06 10.5 Favored Glycine 0 N--CA 1.504 3.191 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.24 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CG ' ' H ' ' A' ' 89' ' ' HIS . 13.9 t60 -72.5 -167.11 0.31 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 117.612 0.706 . . . . 0.0 111.318 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.586 ' H ' ' CG ' ' A' ' 88' ' ' HIS . 32.3 m80 42.25 23.33 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 CA-C-O 122.07 0.938 . . . . 0.0 111.877 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 48.5 t-80 51.85 33.47 11.48 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.576 -1.647 . . . . 0.0 111.81 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' HD11 ' A' ' 55' ' ' ILE . 9.3 p-80 -93.65 157.38 16.2 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -111.69 165.45 12.03 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 103.172 -2.899 . . . . 0.0 103.172 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.259 0.4 OUTLIER -103.8 142.17 18.0 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.167 0 N-CA-C 101.414 -3.55 . . . . 0.0 101.414 -172.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.537 ' O ' HG13 ' A' ' 101' ' ' VAL . 8.2 t -118.96 159.59 23.54 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 112.412 -2.176 . . . . 0.0 113.817 -164.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.58 106.29 2.9 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 3.1 p30 -101.95 62.72 0.9 Allowed 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -173.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.2 t60 58.79 -130.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 114.379 -1.282 . . . . 0.0 108.613 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -72.69 1.95 7.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.205 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 100' ' ' HIS . . . -75.52 -10.72 84.64 Favored Glycine 0 N--CA 1.498 2.783 0 C-N-CA 119.29 -1.433 . . . . 0.0 110.545 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER 92.95 -175.79 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.021 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 94' ' ' SER . 3.3 t -98.44 140.31 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 CA-C-N 115.155 -0.93 . . . . 0.0 113.195 -175.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -157.8 -148.09 0.19 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p -145.23 151.43 38.38 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.461 1.124 . . . . 0.0 110.146 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -138.98 151.58 46.97 Favored 'General case' 0 N--CA 1.504 2.274 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.336 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -81.11 -42.95 20.16 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.114 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.662 ' CG ' ' H ' ' A' ' 107' ' ' HIS . 15.4 t-80 -53.06 -169.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.214 1.006 . . . . 0.0 111.96 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.662 ' H ' ' CG ' ' A' ' 106' ' ' HIS . 13.4 t-80 -165.35 113.68 1.01 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 114.112 -1.403 . . . . 0.0 109.88 -177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -168.65 -89.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -132.46 -34.77 1.18 Allowed 'General case' 0 N--CA 1.51 2.531 0 CA-C-O 120.781 0.324 . . . . 0.0 110.386 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.67 -30.06 65.15 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.835 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.7 t -135.11 51.98 2.06 Favored 'General case' 0 N--CA 1.51 2.552 0 CA-C-O 121.055 0.455 . . . . 0.0 110.314 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.84 132.81 21.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 101.497 -3.52 . . . . 0.0 101.497 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -116.25 179.55 3.96 Favored 'General case' 0 C--O 1.205 -1.245 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -173.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -108.84 171.64 7.31 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -115.77 115.85 27.02 Favored 'General case' 0 N--CA 1.516 2.87 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.444 -173.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -117.1 141.46 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 179.261 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -116.02 -149.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 CA-C-N 112.283 -2.235 . . . . 0.0 108.147 -167.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.496 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 116.294 -1.812 . . . . 0.0 110.806 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 115.719 -2.086 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.509 ' CA ' HG12 ' A' ' 36' ' ' VAL . . . -146.8 155.73 26.68 Favored Glycine 1 N--CA 1.561 6.968 0 C-N-CA 116.057 -2.973 . . . . 0.0 115.249 -175.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.42 47.69 0.82 Allowed 'General case' 0 N--CA 1.518 2.947 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' PHE 0.446 10.2 ttt180 -164.76 -100.61 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.506 0 N-CA-C 121.161 3.763 . . . . 0.0 121.161 -179.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -147.54 161.96 40.05 Favored 'General case' 0 N--CA 1.527 3.42 0 CA-C-N 119.784 1.175 . . . . 0.0 112.375 -171.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.25 115.23 26.33 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -90.91 131.54 36.47 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.461 -174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 9' ' ' HIS 0.267 82.2 p -114.59 69.41 0.71 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.524 ' C ' ' H ' ' A' ' 11' ' ' GLY . 16.6 t-80 86.55 153.17 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.46 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 2.1 t60 -58.51 6.13 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.461 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 9' ' ' HIS . . . -79.91 -30.77 41.82 Favored Glycine 0 N--CA 1.482 1.746 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 178.89 164.06 0.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 120.343 2.071 . . . . 0.0 110.698 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -132.93 136.22 46.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.416 174.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 mt -44.93 123.57 3.9 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.341 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 t -155.9 -169.21 3.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.14 163.65 15.34 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 121.217 0.532 . . . . 0.0 110.323 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -160.21 108.66 1.69 Allowed 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.538 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.94 -132.22 41.02 Favored Glycine 0 N--CA 1.513 3.82 0 C-N-CA 118.561 -1.781 . . . . 0.0 110.491 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 1.5 pm0 -95.02 39.56 1.11 Allowed 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.47 165.14 37.5 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.56 138.39 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.24 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -149.75 -163.93 1.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -137.62 136.01 37.11 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.19 -169.81 2.11 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.88 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 8.4 p80 -119.29 152.07 37.35 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.562 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.82 128.34 23.36 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.944 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -168.63 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.123 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' O ' ' ND1' ' A' ' 28' ' ' HIS . 25.3 p80 -85.78 124.33 32.16 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.77 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 50.37 -178.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.76 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -73.75 137.22 43.82 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' ND1' ' N ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -83.7 102.77 12.49 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.1 p -44.31 129.29 6.39 Favored 'General case' 0 N--CA 1.509 2.49 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.624 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.606 ' H ' ' CD2' ' A' ' 33' ' ' HIS 0.251 0.5 OUTLIER -100.96 174.45 6.01 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -169.184 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 4' ' ' ARG . 28.8 m-85 -118.28 147.59 43.29 Favored 'General case' 0 N--CA 1.527 3.405 0 CA-C-O 121.835 0.826 . . . . 0.0 109.616 176.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -118.52 120.95 39.06 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.074 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.509 HG12 ' CA ' ' A' ' 2' ' ' GLY . 1.2 p -115.52 122.55 69.59 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.119 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -133.24 169.36 17.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 127.241 2.838 . . . . 0.0 104.988 -165.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -95.06 160.14 14.7 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 38' ' ' ASN . 4.0 m-70 -155.43 121.79 5.22 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.507 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.41 -124.58 19.01 Favored Glycine 0 N--CA 1.495 2.608 0 C-N-CA 119.27 -1.443 . . . . 0.0 111.227 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.48 13.75 54.33 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -137.72 -167.85 2.22 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 74' ' ' PHE . 7.1 m -134.29 150.78 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.594 0 CA-C-O 125.305 2.478 . . . . 0.0 114.399 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.93 157.67 26.29 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 109.967 -3.288 . . . . 0.0 113.824 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -116.67 128.19 55.13 Favored 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 111.758 -2.473 . . . . 0.0 110.412 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.32 155.66 40.07 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.536 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 t -164.06 28.61 0.08 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 119.108 0.867 . . . . 0.0 110.916 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 2.2 t60 -173.03 15.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.141 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 48' ' ' HIS . 27.2 p 45.05 41.56 5.64 Favored 'General case' 0 N--CA 1.503 2.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.557 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' A' ' 51' ' ' LYS . . . -172.88 2.51 0.03 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' H ' ' H ' ' A' ' 50' ' ' GLY . 71.4 mmtt -135.82 128.9 31.58 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 118.286 1.043 . . . . 0.0 110.473 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -124.08 141.51 51.99 Favored 'General case' 0 N--CA 1.522 3.17 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 53' ' ' LEU . 5.2 mt -50.6 149.8 3.06 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 120.623 1.556 . . . . 0.0 107.412 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.2 m -156.44 160.42 39.58 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.638 HD11 ' NE2' ' A' ' 91' ' ' HIS . 5.5 pt -153.87 141.33 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.829 -176.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' HA3' HE21 ' A' ' 60' ' ' GLN . . . -90.43 -60.93 1.34 Allowed Glycine 0 N--CA 1.511 3.635 0 C-N-CA 119.164 -1.493 . . . . 0.0 112.124 -172.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 166.59 178.02 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -175.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 47.43 -80.61 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.741 1.275 . . . . 0.0 111.547 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' ASP . 22.5 pttm -161.05 46.28 0.2 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.682 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.511 HE21 ' HA3' ' A' ' 56' ' ' GLY . 13.8 pt20 -124.16 142.58 51.1 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.986 0.898 . . . . 0.0 109.56 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.47 149.36 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.518 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' HD12 ' A' ' 63' ' ' LEU . 37.1 p90 -165.95 -171.22 1.96 Allowed 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 119.387 -0.925 . . . . 0.0 112.549 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 62' ' ' TYR . 6.4 mp -124.17 130.98 53.47 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.345 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -114.93 -141.93 0.38 Allowed 'General case' 0 N--CA 1.516 2.827 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -175.88 3.06 Favored 'General case' 0 N--CA 1.531 3.576 0 CA-C-O 121.368 0.604 . . . . 0.0 111.636 -175.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -67.31 148.79 51.22 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.655 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -170.61 146.9 2.79 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -168.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -109.23 123.75 49.75 Favored 'General case' 0 N--CA 1.524 3.249 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.64 -105.39 0.27 Allowed Glycine 0 N--CA 1.502 3.087 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 88' ' ' HIS . 4.9 t70 -171.56 162.31 6.45 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 114.448 -2.691 . . . . 0.0 106.763 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 t-80 98.26 -43.2 0.01 OUTLIER 'General case' 0 N--CA 1.524 3.233 0 CA-C-N 123.189 2.722 . . . . 0.0 108.692 174.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.489 ' HB3' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -99.93 -53.12 3.24 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.905 HD12 ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -93.29 171.52 8.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 164.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.905 ' N ' HD12 ' A' ' 73' ' ' LEU . 68.4 m-85 -143.46 171.26 14.38 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-O 124.178 1.942 . . . . 0.0 112.882 -169.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -123.77 112.33 17.2 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 111.408 -2.633 . . . . 0.0 103.956 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 77' ' ' GLU 0.37 0.1 OUTLIER -129.21 145.18 51.38 Favored 'General case' 0 C--N 1.251 -3.694 0 CA-C-N 112.962 -1.926 . . . . 0.0 106.173 -171.659 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 76' ' ' LEU . 8.8 tp10 -158.84 150.05 20.44 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.401 -170.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' N ' ' OE2' ' A' ' 77' ' ' GLU . 6.6 m-70 -65.24 177.32 1.1 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.707 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.79 83.37 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.048 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.28 -77.39 0.12 Allowed Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.748 -1.215 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.52 -3.9 2.6 Favored Glycine 0 N--CA 1.504 3.189 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -115.97 -163.2 0.88 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 84' ' ' SER . 1.6 p -148.77 168.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-O 122.779 1.276 . . . . 0.0 107.92 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.483 ' N ' ' CG2' ' A' ' 83' ' ' VAL . 12.2 m -146.18 144.88 30.22 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 112.729 -2.032 . . . . 0.0 109.841 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -117.34 144.71 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.67 137.51 22.75 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -115.29 -154.06 10.5 Favored Glycine 0 N--CA 1.504 3.191 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.24 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.586 ' CG ' ' H ' ' A' ' 89' ' ' HIS . 13.9 t60 -72.5 -167.11 0.31 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 117.612 0.706 . . . . 0.0 111.318 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.586 ' H ' ' CG ' ' A' ' 88' ' ' HIS . 32.3 m80 42.25 23.33 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 CA-C-O 122.07 0.938 . . . . 0.0 111.877 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 48.5 t-80 51.85 33.47 11.48 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.576 -1.647 . . . . 0.0 111.81 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.638 ' NE2' HD11 ' A' ' 55' ' ' ILE . 9.3 p-80 -93.65 157.38 16.2 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -111.69 165.45 12.03 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 103.172 -2.899 . . . . 0.0 103.172 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.259 0.4 OUTLIER -103.8 142.17 18.0 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.167 0 N-CA-C 101.414 -3.55 . . . . 0.0 101.414 -172.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.537 ' O ' HG13 ' A' ' 101' ' ' VAL . 8.2 t -118.96 159.59 23.54 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 112.412 -2.176 . . . . 0.0 113.817 -164.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.58 106.29 2.9 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 3.1 p30 -101.95 62.72 0.9 Allowed 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 -173.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.2 t60 58.79 -130.45 1.21 Allowed 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 114.379 -1.282 . . . . 0.0 108.613 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -72.69 1.95 7.46 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.205 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 100' ' ' HIS . . . -75.52 -10.72 84.64 Favored Glycine 0 N--CA 1.498 2.783 0 C-N-CA 119.29 -1.433 . . . . 0.0 110.545 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 101' ' ' VAL . 0.9 OUTLIER 92.95 -175.79 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.021 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 94' ' ' SER . 3.3 t -98.44 140.31 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 CA-C-N 115.155 -0.93 . . . . 0.0 113.195 -175.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -157.8 -148.09 0.19 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p -145.23 151.43 38.38 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.461 1.124 . . . . 0.0 110.146 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -138.98 151.58 46.97 Favored 'General case' 0 N--CA 1.504 2.274 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.336 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -81.11 -42.95 20.16 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.114 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.662 ' CG ' ' H ' ' A' ' 107' ' ' HIS . 41.3 t60 -53.06 -169.05 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.214 1.006 . . . . 0.0 111.96 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.662 ' H ' ' CG ' ' A' ' 106' ' ' HIS . 13.4 t-80 -165.35 113.68 1.01 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 114.112 -1.403 . . . . 0.0 109.88 -177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -168.65 -89.73 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -132.46 -34.77 1.18 Allowed 'General case' 0 N--CA 1.51 2.531 0 CA-C-O 120.781 0.324 . . . . 0.0 110.386 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.67 -30.06 65.15 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.835 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.7 t -135.11 51.98 2.06 Favored 'General case' 0 N--CA 1.51 2.552 0 CA-C-O 121.055 0.455 . . . . 0.0 110.314 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.84 132.81 21.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 101.497 -3.52 . . . . 0.0 101.497 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -116.25 179.55 3.96 Favored 'General case' 0 C--O 1.205 -1.245 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -173.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -108.84 171.64 7.31 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -115.77 115.85 27.02 Favored 'General case' 0 N--CA 1.516 2.87 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.444 -173.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -117.1 141.46 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 179.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -116.02 -149.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 CA-C-N 112.283 -2.235 . . . . 0.0 108.147 -167.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.496 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 116.294 -1.812 . . . . 0.0 110.806 -176.877 . . . . . . . . 2 2 . 1 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