data_2c0w_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 2c0w _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.693 0.282 . . . . 20.0 110.994 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -146.78 148.41 31.9 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.618 -0.882 . . . . 20.0 108.618 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.53 2.85 86.95 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.506 -0.854 . . . . 20.0 112.708 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -111.14 -21.62 11.84 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.943 0.349 . . . . 20.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -47.61 -53.19 32.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 122.215 -0.303 . . . . 20.0 110.943 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.07 5.96 4.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.926 2.417 . . . . 20.0 111.971 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.91 -11.7 15.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.73 -0.668 . . . . 20.0 109.409 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -70.72 -40.92 72.53 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.143 -1.058 . . . . 20.0 108.143 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.36 -23.46 66.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.174 -0.921 . . . . 20.0 108.906 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.61 -51.5 69.65 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.011 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.7 -45.25 25.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.426 0.528 . . . . 20.0 112.426 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.14 -25.34 13.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.118 -1.033 . . . . 20.0 109.183 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 m -76.59 -30.1 56.85 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.734 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.74 -45.21 17.43 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.662 -0.866 . . . . 20.0 108.662 176.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -59.51 -49.1 79.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.561 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.55 59.76 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.962 0.411 . . . . 20.0 111.286 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 m -78.94 -33.57 45.24 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.54 -1.282 . . . . 20.0 107.54 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.57 56.35 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.823 -1.081 . . . . 20.0 109.295 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.6 m -54.25 -27.67 36.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.533 -0.303 . . . . 20.0 110.984 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -70.6 -51.26 29.41 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.916 0.388 . . . . 20.0 111.423 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.5 mtm -80.01 -24.41 40.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.927 0.394 . . . . 20.0 110.978 -179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.59 -34.92 64.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 108.851 -0.796 . . . . 20.0 108.851 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.04 -25.06 67.63 Favored Glycine 0 C--O 1.225 -0.449 0 C-N-CA 120.789 -0.719 . . . . 20.0 112.637 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' O ' ' CG ' ' A' ' 28' ' ' MET . 3.9 m-30 -80.1 -36.57 35.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.066 0.46 . . . . 20.0 110.447 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.91 70.9 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.79 -0.448 . . . . 20.0 109.79 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -73.62 -54.07 9.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.294 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' O ' ' CG2' ' A' ' 31' ' ' VAL . . . -71.56 -24.95 62.02 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.955 -0.465 . . . . 20.0 111.513 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . 0.565 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 18.2 mmm -58.45 -53.88 53.31 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.478 0.656 . . . . 20.0 109.401 178.683 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.64 -53.29 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 CA-C-N 115.665 -0.698 . . . . 20.0 109.457 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -58.97 -32.71 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.487 -0.485 . . . . 20.0 111.745 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . 0.558 ' CG2' ' O ' ' A' ' 27' ' ' ALA . 92.6 t -63.36 -36.7 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.927 0.87 . . . . 20.0 109.883 179.449 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -80.5 -54.08 11.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.714 -1.13 . . . . 20.0 109.326 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 t -53.13 -28.99 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.121 -0.945 . . . . 20.0 111.613 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.73 -48.14 36.97 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 119.251 -1.452 . . . . 20.0 109.832 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 39' ' ' ILE . . . -80.83 -35.34 32.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.935 0.397 . . . . 20.0 110.065 177.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.3 m -49.69 -47.7 50.18 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.433 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 mt -80.28 -51.25 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.869 0.366 . . . . 20.0 111.207 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.86 -41.52 36.29 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.907 -1.139 . . . . 20.0 111.516 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 1.7 mp -66.2 -23.66 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 20.0 110.684 179.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -67.47 -50.4 59.23 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.891 -1.152 . . . . 20.0 107.891 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . 0.651 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 3.3 mp -57.72 -44.56 86.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.192 -0.913 . . . . 20.0 110.72 178.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -49.31 -37.81 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.738 -0.467 . . . . 20.0 109.738 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -80.71 -29.79 36.37 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.902 -0.59 . . . . 20.0 111.212 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -62.3 -47.34 84.73 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.86 -1.533 . . . . 20.0 106.86 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -52.8 -25.42 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.938 -1.028 . . . . 20.0 110.131 178.222 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m -80.29 -52.52 7.61 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.293 -1.321 . . . . 20.0 113.53 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -77.82 -23.94 48.89 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.34 0.867 . . . . 20.0 113.34 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -67.44 -35.07 78.51 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.198 0.814 . . . . 20.0 113.198 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.97 -23.15 17.81 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 114.155 1.168 . . . . 20.0 114.155 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.637 -0.697 . . . . 20.0 112.48 -178.996 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.693 0.282 . . . . 20.0 110.994 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -146.78 148.41 31.9 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.618 -0.882 . . . . 20.0 108.618 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.53 2.85 86.95 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.506 -0.854 . . . . 20.0 112.708 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -111.14 -21.62 11.84 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.943 0.349 . . . . 20.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . 0.615 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 20.6 m-20 -47.61 -53.19 32.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 122.215 -0.303 . . . . 20.0 110.943 -179.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 5' ' ' ASP . 2.9 Cg_exo -77.07 5.96 4.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.926 2.417 . . . . 20.0 111.971 179.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -107.91 -11.7 15.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.73 -0.668 . . . . 20.0 109.409 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -70.72 -40.92 72.53 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.143 -1.058 . . . . 20.0 108.143 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.36 -23.46 66.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.174 -0.921 . . . . 20.0 108.906 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -58.61 -51.5 69.65 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.011 179.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.7 -45.25 25.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.426 0.528 . . . . 20.0 112.426 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.14 -25.34 13.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.118 -1.033 . . . . 20.0 109.183 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 m -76.59 -30.1 56.85 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.734 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.74 -45.21 17.43 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.662 -0.866 . . . . 20.0 108.662 176.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 64.9 mt-30 -59.51 -49.1 79.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.561 178.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.55 59.76 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.962 0.411 . . . . 20.0 111.286 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . 0.452 ' O ' ' HE2' ' A' ' 21' ' ' MET . 35.5 m -78.94 -33.57 45.24 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.54 -1.282 . . . . 20.0 107.54 178.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . -59.9 -53.57 56.35 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.823 -1.081 . . . . 20.0 109.295 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.6 m -54.25 -27.67 36.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.533 -0.303 . . . . 20.0 110.984 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -70.6 -51.26 29.41 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.916 0.388 . . . . 20.0 111.423 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . 0.452 ' HE2' ' O ' ' A' ' 17' ' ' SER . 10.5 mtm -80.01 -24.41 40.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.927 0.394 . . . . 20.0 110.978 -179.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.59 -34.92 64.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 108.851 -0.796 . . . . 20.0 108.851 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.04 -25.06 67.63 Favored Glycine 0 C--O 1.225 -0.449 0 C-N-CA 120.789 -0.719 . . . . 20.0 112.637 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . 0.655 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.9 m-30 -80.1 -36.57 35.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.066 0.46 . . . . 20.0 110.447 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.91 70.9 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.79 -0.448 . . . . 20.0 109.79 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -73.62 -54.07 9.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.294 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . 1.006 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -71.56 -24.95 62.02 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.955 -0.465 . . . . 20.0 111.513 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . 0.655 ' HG2' ' O ' ' A' ' 24' ' ' TYR . 18.2 mmm -58.45 -53.88 53.31 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.478 0.656 . . . . 20.0 109.401 178.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.64 -53.29 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 CA-C-N 115.665 -0.698 . . . . 20.0 109.457 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -58.97 -32.71 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.487 -0.485 . . . . 20.0 111.745 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 27' ' ' ALA . 92.6 t -63.36 -36.7 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.927 0.87 . . . . 20.0 109.883 179.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -80.5 -54.08 11.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.714 -1.13 . . . . 20.0 109.326 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 30.8 t -53.13 -28.99 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.121 -0.945 . . . . 20.0 111.613 -179.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.73 -48.14 36.97 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 119.251 -1.452 . . . . 20.0 109.832 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . 0.779 ' O ' HD13 ' A' ' 39' ' ' ILE . . . -80.83 -35.34 32.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.935 0.397 . . . . 20.0 110.065 177.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . 0.589 ' HB ' ' HA ' ' A' ' 33' ' ' VAL . 52.3 m -49.69 -47.7 50.18 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.433 -179.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . 0.793 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 13.4 mt -80.28 -51.25 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.869 0.366 . . . . 20.0 111.207 178.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.86 -41.52 36.29 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.907 -1.139 . . . . 20.0 111.516 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.7 mp -66.2 -23.66 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 20.0 110.684 179.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.793 ' HG3' ' HA ' ' A' ' 37' ' ' ILE . 4.2 mtpp -67.47 -50.4 59.23 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.891 -1.152 . . . . 20.0 107.891 179.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.768 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 mp -57.72 -44.56 86.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.192 -0.913 . . . . 20.0 110.72 178.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -49.31 -37.81 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.738 -0.467 . . . . 20.0 109.738 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' O ' ' HB ' ' A' ' 46' ' ' THR . 26.9 mttm -80.71 -29.79 36.37 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.902 -0.59 . . . . 20.0 111.212 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . 0.768 ' HG3' ' HA ' ' A' ' 41' ' ' LEU . 3.6 mtpp -62.3 -47.34 84.73 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.86 -1.533 . . . . 20.0 106.86 177.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -52.8 -25.42 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.938 -1.028 . . . . 20.0 110.131 178.222 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 2.4 m -80.29 -52.52 7.61 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.293 -1.321 . . . . 20.0 113.53 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -77.82 -23.94 48.89 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.34 0.867 . . . . 20.0 113.34 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -67.44 -35.07 78.51 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.198 0.814 . . . . 20.0 113.198 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.97 -23.15 17.81 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 114.155 1.168 . . . . 20.0 114.155 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.637 -0.697 . . . . 20.0 112.48 -178.996 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.693 0.282 . . . . 20.0 110.994 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -146.78 148.41 31.9 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.618 -0.882 . . . . 20.0 108.618 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.53 2.85 86.95 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.506 -0.854 . . . . 20.0 112.708 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -111.14 -21.62 11.84 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.943 0.349 . . . . 20.0 111.943 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.615 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 20.6 m-20 -47.61 -53.19 32.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 O-C-N 122.215 -0.303 . . . . 20.0 110.943 -179.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 5' ' ' ASP . 2.9 Cg_exo -77.07 5.96 4.62 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.926 2.417 . . . . 20.0 111.971 179.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -107.91 -11.7 15.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.73 -0.668 . . . . 20.0 109.409 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -70.72 -40.92 72.53 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 108.143 -1.058 . . . . 20.0 108.143 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.36 -23.46 66.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.174 -0.921 . . . . 20.0 108.906 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -58.61 -51.5 69.65 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.011 179.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.7 -45.25 25.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.426 0.528 . . . . 20.0 112.426 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.14 -25.34 13.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.118 -1.033 . . . . 20.0 109.183 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 m -76.59 -30.1 56.85 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.734 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.74 -45.21 17.43 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.662 -0.866 . . . . 20.0 108.662 176.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 20.9 mt-30 -59.51 -49.1 79.09 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.561 178.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.55 59.76 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.962 0.411 . . . . 20.0 111.286 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . 0.452 ' O ' ' HE2' ' A' ' 21' ' ' MET . 35.5 m -78.94 -33.57 45.24 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.54 -1.282 . . . . 20.0 107.54 178.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . -59.9 -53.57 56.35 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.823 -1.081 . . . . 20.0 109.295 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.6 m -54.25 -27.67 36.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.533 -0.303 . . . . 20.0 110.984 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -70.6 -51.26 29.41 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.916 0.388 . . . . 20.0 111.423 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . 0.452 ' HE2' ' O ' ' A' ' 17' ' ' SER . 10.5 mtm -80.01 -24.41 40.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.927 0.394 . . . . 20.0 110.978 -179.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.59 -34.92 64.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 108.851 -0.796 . . . . 20.0 108.851 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.04 -25.06 67.63 Favored Glycine 0 C--O 1.225 -0.449 0 C-N-CA 120.789 -0.719 . . . . 20.0 112.637 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.655 ' O ' ' HG2' ' A' ' 28' ' ' MET . 3.9 m-30 -80.1 -36.57 35.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.066 0.46 . . . . 20.0 110.447 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.91 70.9 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.79 -0.448 . . . . 20.0 109.79 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -73.62 -54.07 9.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.294 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.006 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -71.56 -24.95 62.02 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.955 -0.465 . . . . 20.0 111.513 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . 0.655 ' HG2' ' O ' ' A' ' 24' ' ' TYR . 18.2 mmm -58.45 -53.88 53.31 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.478 0.656 . . . . 20.0 109.401 178.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.64 -53.29 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 CA-C-N 115.665 -0.698 . . . . 20.0 109.457 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 t -58.97 -32.71 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.487 -0.485 . . . . 20.0 111.745 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 27' ' ' ALA . 92.6 t -63.36 -36.7 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.927 0.87 . . . . 20.0 109.883 179.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -80.5 -54.08 11.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.714 -1.13 . . . . 20.0 109.326 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 30.8 t -53.13 -28.99 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.121 -0.945 . . . . 20.0 111.613 -179.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.73 -48.14 36.97 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 119.251 -1.452 . . . . 20.0 109.832 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.779 ' O ' HD13 ' A' ' 39' ' ' ILE . . . -80.83 -35.34 32.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.935 0.397 . . . . 20.0 110.065 177.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . 0.589 ' HB ' ' HA ' ' A' ' 33' ' ' VAL . 52.3 m -49.69 -47.7 50.18 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.433 -179.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.793 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 13.4 mt -80.28 -51.25 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.869 0.366 . . . . 20.0 111.207 178.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.86 -41.52 36.29 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.907 -1.139 . . . . 20.0 111.516 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.7 mp -66.2 -23.66 32.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 20.0 110.684 179.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.793 ' HG3' ' HA ' ' A' ' 37' ' ' ILE . 4.2 mtpp -67.47 -50.4 59.23 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.891 -1.152 . . . . 20.0 107.891 179.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.768 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 mp -57.72 -44.56 86.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.192 -0.913 . . . . 20.0 110.72 178.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -49.31 -37.81 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.738 -0.467 . . . . 20.0 109.738 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' O ' ' HB ' ' A' ' 46' ' ' THR . 26.9 mttm -80.71 -29.79 36.37 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.902 -0.59 . . . . 20.0 111.212 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.768 ' HG3' ' HA ' ' A' ' 41' ' ' LEU . 3.6 mtpp -62.3 -47.34 84.73 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.86 -1.533 . . . . 20.0 106.86 177.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -52.8 -25.42 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.938 -1.028 . . . . 20.0 110.131 178.222 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 2.4 m -80.29 -52.52 7.61 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.293 -1.321 . . . . 20.0 113.53 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -77.82 -23.94 48.89 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.34 0.867 . . . . 20.0 113.34 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -67.44 -35.07 78.51 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.198 0.814 . . . . 20.0 113.198 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.97 -23.15 17.81 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 114.155 1.168 . . . . 20.0 114.155 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.637 -0.697 . . . . 20.0 112.48 -178.996 . . . . . . . . 0 0 . 1 stop_ save_