data_2ifn_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 2ifn _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 CA-C-O 119.983 -0.343 . . . . 167.0 113.796 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 p 164.77 -172.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.81 1.244 . . . . 56.25 109.151 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 175.41 102.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 105.602 -1.999 . . . . 48.490000000000002 105.602 177.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.41 82.57 3.86 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 114.953 1.464 . . . . 115.06999999999999 114.953 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.0 m -86.7 50.45 2.01 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 105.969 -1.863 . . . . 21.98 105.969 177.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -100.01 -33.36 10.53 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.657 -1.156 . . . . 69.790000000000006 110.127 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -18.37 62.24 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.081 -1.451 . . . . 23.09 107.081 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 t -71.98 -55.42 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 103.931 -2.618 . . . . 23.960000000000001 103.931 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -39.34 -54.31 1.88 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.16 -0.927 . . . . 57.079999999999998 108.811 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 p -68.7 -61.33 1.86 Allowed 'General case' 0 C--O 1.24 0.562 0 N-CA-C 116.149 1.907 . . . . 33.450000000000003 116.149 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.48 -37.82 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.57 1.322 . . . . 60.890000000000001 114.57 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 mt -64.0 -36.2 76.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.712 -1.588 . . . . 20.100000000000001 106.712 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.8 m -55.0 -43.06 73.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.618 -0.719 . . . . 34.920000000000002 112.509 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.07 -35.07 77.6 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.716 -1.216 . . . . 78.299999999999997 107.716 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.57 92.89 Favored Glycine 0 CA--C 1.504 -0.625 0 N-CA-C 107.307 -2.317 . . . . 16.940000000000001 107.307 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.64 -48.75 77.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.255 -1.757 . . . . 14.699999999999999 106.255 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.0 -45.94 50.52 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 116.956 1.542 . . . . 9.8699999999999992 116.956 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -77.06 -33.25 57.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 117.553 0.677 . . . . 54.439999999999998 111.707 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mtp -64.42 -22.35 66.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.517 -1.66 . . . . 2.0 106.517 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -74.8 -34.77 62.44 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.339 -1.356 . . . . 12.1 107.339 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.35 -53.78 15.26 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.946 -0.39 . . . . 43.280000000000001 109.946 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.95 -46.42 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 105.555 -2.017 . . . . 29.18 105.555 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.83 60.52 Favored Glycine 0 C--N 1.322 -0.207 0 C-N-CA 120.546 -0.835 . . . . 2.0 111.186 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.18 -63.16 1.82 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.699 -1.239 . . . . 10.41 113.023 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -52.05 -34.06 41.72 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.537 0.94 . . . . 112.90000000000001 113.537 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.57 -49.45 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.371 -1.344 . . . . 33.82 107.371 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.57 -33.73 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 114.82 -1.082 . . . . 35.229999999999997 109.523 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.66 -36.42 59.13 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.47 -0.652 . . . . 12.44 111.47 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.69 31.46 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.669 0.618 . . . . 13.970000000000001 112.669 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.94 -18.97 60.82 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.981 -0.688 . . . . 4.5499999999999998 109.715 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -76.39 -40.47 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 108.348 -0.982 . . . . 31.109999999999999 108.348 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.45 -42.79 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 107.259 -1.386 . . . . 2.0 107.259 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.68 -58.21 9.6 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 106.447 -1.686 . . . . 24.23 106.447 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.52 -60.15 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 48.969999999999999 113.462 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.46 -44.91 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 113.402 0.89 . . . . 81.480000000000004 113.402 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.57 -21.58 66.42 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.78 -0.822 . . . . 25.649999999999999 108.78 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.29 -31.02 29.13 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.498 -1.041 . . . . 2.0 110.498 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.51 -46.28 63.99 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 106.383 -1.71 . . . . 2.0 106.383 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.85 -44.14 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 37.759999999999998 111.049 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -57.31 -49.63 75.51 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.587 -1.634 . . . . 82.810000000000002 106.587 178.47 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -66.13 -21.88 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 37.530000000000001 111.671 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 tpt -71.01 -50.72 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.152 -1.055 . . . . 17.559999999999999 108.152 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -49.08 76.23 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 114.796 1.406 . . . . 2.0 114.796 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -65.68 -22.48 66.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.423 -0.584 . . . . 160.78999999999999 109.423 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -65.98 -52.28 50.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 30.32 111.982 -179.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.515 0 CA-C-O 116.896 -1.526 . . . . 74.75 113.845 -178.959 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.79 0 CA-C-O 119.983 -0.343 . . . . 167.0 113.796 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.736 HG22 ' H ' ' A' ' 3' ' ' ILE . 4.0 p 164.77 -172.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.81 1.244 . . . . 56.25 109.151 177.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . 0.736 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 175.41 102.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 105.602 -1.999 . . . . 48.49 105.602 177.37 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.41 82.57 3.86 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 114.953 1.464 . . . . 115.07 114.953 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.507 HG23 HG21 ' A' ' 8' ' ' VAL . 96.0 m -86.7 50.45 2.01 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 105.969 -1.863 . . . . 21.98 105.969 177.553 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -100.01 -33.36 10.53 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.657 -1.156 . . . . 69.79 110.127 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -18.37 62.24 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.081 -1.451 . . . . 23.09 107.081 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.507 HG21 HG23 ' A' ' 5' ' ' THR . 11.5 t -71.98 -55.42 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 103.931 -2.618 . . . . 23.96 103.931 177.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -39.34 -54.31 1.88 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.16 -0.927 . . . . 57.08 108.811 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.636 ' O ' ' HB ' ' A' ' 13' ' ' THR . 74.3 p -68.7 -61.33 1.86 Allowed 'General case' 0 C--O 1.24 0.562 0 N-CA-C 116.149 1.907 . . . . 33.45 116.149 179.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.48 -37.82 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.57 1.322 . . . . 60.89 114.57 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 mt -64.0 -36.2 76.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.712 -1.588 . . . . 20.1 106.712 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 10' ' ' SER . 59.8 m -55.0 -43.06 73.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.618 -0.719 . . . . 34.92 112.509 178.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.07 -35.07 77.6 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.716 -1.216 . . . . 78.3 107.716 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.57 92.89 Favored Glycine 0 CA--C 1.504 -0.625 0 N-CA-C 107.307 -2.317 . . . . 16.94 107.307 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 41.2 mt-30 -62.64 -48.75 77.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.255 -1.757 . . . . 14.7 106.255 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.0 -45.94 50.52 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 116.956 1.542 . . . . 9.87 116.956 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -77.06 -33.25 57.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 117.553 0.677 . . . . 54.44 111.707 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mtp -64.42 -22.35 66.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.517 -1.66 . . . . 2.0 106.517 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 21.1 mmtp -74.8 -34.77 62.44 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.339 -1.356 . . . . 12.1 107.339 177.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.35 -53.78 15.26 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.946 -0.39 . . . . 43.28 109.946 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 26' ' ' ILE . 4.4 mt -63.95 -46.42 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 105.555 -2.017 . . . . 29.18 105.555 178.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.83 60.52 Favored Glycine 0 C--N 1.322 -0.207 0 C-N-CA 120.546 -0.835 . . . . 2.0 111.186 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.18 -63.16 1.82 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.699 -1.239 . . . . 10.41 113.023 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -52.05 -34.06 41.72 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.537 0.94 . . . . 112.9 113.537 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 22' ' ' ILE . 3.2 mt -57.57 -49.45 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.371 -1.344 . . . . 33.82 107.371 178.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.8 t -59.57 -33.73 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 114.82 -1.082 . . . . 35.23 109.523 -179.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.66 -36.42 59.13 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.47 -0.652 . . . . 12.44 111.47 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.69 31.46 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.669 0.618 . . . . 13.97 112.669 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.94 -18.97 60.82 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.981 -0.688 . . . . 4.55 109.715 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' VAL . 57.6 t -76.39 -40.47 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 108.348 -0.982 . . . . 31.11 108.348 178.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.45 -42.79 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 107.259 -1.386 . . . . 2.0 107.259 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.68 -58.21 9.6 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 106.447 -1.686 . . . . 24.23 106.447 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.52 -60.15 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 48.97 113.462 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.46 -44.91 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 113.402 0.89 . . . . 81.48 113.402 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.57 -21.58 66.42 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.78 -0.822 . . . . 25.65 108.78 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.29 -31.02 29.13 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.498 -1.041 . . . . 2.0 110.498 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.51 -46.28 63.99 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 106.383 -1.71 . . . . 2.0 106.383 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.85 -44.14 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 37.76 111.049 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -57.31 -49.63 75.51 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.587 -1.634 . . . . 82.81 106.587 178.47 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 17.6 m -66.13 -21.88 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 37.53 111.671 179.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . 0.477 ' O ' ' HB3' ' A' ' 45' ' ' LYS . 1.1 tpt -71.01 -50.72 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.152 -1.055 . . . . 17.56 108.152 178.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -49.08 76.23 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 114.796 1.406 . . . . 2.0 114.796 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -65.68 -22.48 66.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.423 -0.584 . . . . 160.79 109.423 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 41' ' ' SER . 12.5 tttp -65.98 -52.28 50.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 30.32 111.982 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.515 0 CA-C-O 116.896 -1.526 . . . . 74.75 113.845 -178.959 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.79 0 CA-C-O 119.983 -0.343 . . . . 167.0 113.796 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.736 HG22 ' H ' ' A' ' 3' ' ' ILE . 4.0 p 164.77 -172.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.81 1.244 . . . . 56.25 109.151 177.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.736 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 175.41 102.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 105.602 -1.999 . . . . 48.490000000000002 105.602 177.37 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -77.41 82.57 3.86 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 114.953 1.464 . . . . 115.06999999999999 114.953 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.507 HG23 HG21 ' A' ' 8' ' ' VAL . 96.0 m -86.7 50.45 2.01 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 105.969 -1.863 . . . . 21.98 105.969 177.553 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -100.01 -33.36 10.53 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.657 -1.156 . . . . 69.790000000000006 110.127 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -18.37 62.24 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 107.081 -1.451 . . . . 23.09 107.081 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.507 HG21 HG23 ' A' ' 5' ' ' THR . 11.5 t -71.98 -55.42 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 103.931 -2.618 . . . . 23.960000000000001 103.931 177.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -39.34 -54.31 1.88 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.16 -0.927 . . . . 57.079999999999998 108.811 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.636 ' O ' ' HB ' ' A' ' 13' ' ' THR . 74.3 p -68.7 -61.33 1.86 Allowed 'General case' 0 C--O 1.24 0.562 0 N-CA-C 116.149 1.907 . . . . 33.450000000000003 116.149 179.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.48 -37.82 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 114.57 1.322 . . . . 60.890000000000001 114.57 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 mt -64.0 -36.2 76.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.712 -1.588 . . . . 20.100000000000001 106.712 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.705 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 59.8 m -55.0 -43.06 73.24 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.618 -0.719 . . . . 34.920000000000002 112.509 178.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.07 -35.07 77.6 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.716 -1.216 . . . . 78.299999999999997 107.716 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.57 92.89 Favored Glycine 0 CA--C 1.504 -0.625 0 N-CA-C 107.307 -2.317 . . . . 16.940000000000001 107.307 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.705 ' NE2' ' HA ' ' A' ' 13' ' ' THR . 60.7 mt-30 -62.64 -48.75 77.99 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.255 -1.757 . . . . 14.699999999999999 106.255 178.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.0 -45.94 50.52 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 116.956 1.542 . . . . 9.8699999999999992 116.956 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -77.06 -33.25 57.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 117.553 0.677 . . . . 54.439999999999998 111.707 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mtp -64.42 -22.35 66.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 106.517 -1.66 . . . . 2.0 106.517 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 21.1 mmtp -74.8 -34.77 62.44 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 107.339 -1.356 . . . . 12.1 107.339 177.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.35 -53.78 15.26 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.946 -0.39 . . . . 43.280000000000001 109.946 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 26' ' ' ILE . 4.4 mt -63.95 -46.42 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 105.555 -2.017 . . . . 29.18 105.555 178.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.83 60.52 Favored Glycine 0 C--N 1.322 -0.207 0 C-N-CA 120.546 -0.835 . . . . 2.0 111.186 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.18 -63.16 1.82 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.699 -1.239 . . . . 10.41 113.023 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -52.05 -34.06 41.72 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.537 0.94 . . . . 112.90000000000001 113.537 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 22' ' ' ILE . 3.2 mt -57.57 -49.45 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.371 -1.344 . . . . 33.82 107.371 178.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.8 t -59.57 -33.73 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 114.82 -1.082 . . . . 35.229999999999997 109.523 -179.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.66 -36.42 59.13 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.47 -0.652 . . . . 12.44 111.47 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.69 31.46 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.669 0.618 . . . . 13.970000000000001 112.669 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.94 -18.97 60.82 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.981 -0.688 . . . . 4.5499999999999998 109.715 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' VAL . 57.6 t -76.39 -40.47 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 108.348 -0.982 . . . . 31.109999999999999 108.348 178.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.45 -42.79 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 107.259 -1.386 . . . . 2.0 107.259 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.68 -58.21 9.6 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 106.447 -1.686 . . . . 24.23 106.447 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.52 -60.15 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 48.969999999999999 113.462 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.46 -44.91 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 113.402 0.89 . . . . 81.480000000000004 113.402 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.57 -21.58 66.42 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.78 -0.822 . . . . 25.649999999999999 108.78 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.29 -31.02 29.13 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.498 -1.041 . . . . 2.0 110.498 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.51 -46.28 63.99 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 106.383 -1.71 . . . . 2.0 106.383 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.85 -44.14 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.55 -0.75 . . . . 37.759999999999998 111.049 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -57.31 -49.63 75.51 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.587 -1.634 . . . . 82.810000000000002 106.587 178.47 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 17.6 m -66.13 -21.88 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 37.530000000000001 111.671 179.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . 0.477 ' O ' ' HB3' ' A' ' 45' ' ' LYS . 1.1 tpt -71.01 -50.72 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.152 -1.055 . . . . 17.559999999999999 108.152 178.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -49.08 76.23 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 114.796 1.406 . . . . 2.0 114.796 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -65.68 -22.48 66.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.423 -0.584 . . . . 160.78999999999999 109.423 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 41' ' ' SER . 12.5 tttp -65.98 -52.28 50.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.71 -0.677 . . . . 30.32 111.982 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.515 0 CA-C-O 116.896 -1.526 . . . . 74.75 113.845 -178.959 . . . . . . . . 0 0 . 1 stop_ save_