data_1c3m_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 1c3m _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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 108.537 -0.912 . . . . 67.47 108.537 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 t 19.24 53.05 0.01 OUTLIER 'General case' 0 C--O 1.258 1.541 0 CA-C-O 125.114 2.388 . . . . 68.02 110.431 -173.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.99 -63.49 0.53 Allowed 'General case' 0 N--CA 1.431 -1.407 2 N-CA-C 80.36 -11.348 . . . . 65.15 80.36 174.217 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -107.26 29.35 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.674 0 N-CA-C 117.299 2.333 . . . . 57.88 117.299 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.4 -35.26 35.47 Favored 'General case' 0 C--O 1.25 1.124 0 N-CA-C 116.208 1.929 . . . . 49.71 116.208 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 558' ' ' HOH . 18.4 t -109.39 111.13 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 118.613 -1.235 . . . . 40.12 111.59 175.616 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -113.41 106.5 14.65 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.329 -0.851 . . . . 31.1 109.379 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.75 127.22 40.58 Favored 'General case' 0 C--O 1.254 1.311 0 C-N-CA 123.894 0.878 . . . . 27.46 110.394 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.35 -148.54 17.59 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 107.473 -2.251 . . . . 26.83 107.473 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -83.41 170.76 52.75 Favored 'Cis proline' 0 CA--C 1.513 -0.567 0 CA-C-N 119.306 1.553 . . . . 27.73 111.337 0.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 32.5 m-90 -117.8 139.03 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.913 -1.884 . . . . 30.55 105.913 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.11 -154.25 20.19 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 109.509 -1.436 . . . . 35.04 109.509 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.12 -170.31 36.52 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 117.134 1.614 . . . . 38.14 117.134 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -106.64 -0.41 23.74 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 115.679 1.733 . . . . 47.3 115.679 -176.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.04 178.65 40.21 Favored Glycine 0 C--O 1.243 0.657 0 C-N-CA 119.786 -1.197 . . . . 37.42 112.629 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.05 -172.36 25.67 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.02 -1.09 . . . . 35.5 115.674 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -115.07 146.79 40.94 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.487 -0.856 . . . . 47.29 111.135 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -63.66 135.05 56.45 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.794 -1.548 . . . . 30.43 114.47 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -139.92 161.52 37.39 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 105.657 -1.979 . . . . 25.42 105.657 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 tt -148.87 139.99 23.08 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 124.507 1.13 . . . . 26.21 109.972 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -144.82 118.49 9.19 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.172 -0.955 . . . . 23.24 111.484 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.4 p -118.12 -179.91 3.9 Favored 'General case' 0 C--O 1.272 2.28 0 N-CA-C 107.514 -1.291 . . . . 27.5 107.514 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.91 8.48 44.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.407 -1.724 . . . . 26.72 111.237 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 47.98 48.32 18.12 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 124.292 1.037 . . . . 29.9 113.172 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.13 -12.99 68.2 Favored Glycine 0 C--N 1.342 0.874 0 O-C-N 124.271 0.982 . . . . 32.6 114.679 179.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.61 -128.11 5.46 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.297 -0.954 . . . . 32.17 113.084 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 77' ' ' GLU . 12.5 tttt -143.48 143.57 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.727 1.01 . . . . 38.68 113.727 -177.58 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.03 122.42 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 103.417 -2.809 . . . . 32.96 103.417 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -103.75 -29.02 11.3 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.797 1.777 . . . . 30.0 115.797 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.5 m -142.68 149.56 39.01 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 121.259 0.552 . . . . 28.93 110.905 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.36 126.83 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 104.198 -2.519 . . . . 24.11 104.198 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.19 112.51 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 106.175 -1.787 . . . . 28.76 106.175 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mt -113.95 130.18 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 C-N-CA 125.837 1.655 . . . . 32.43 114.697 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -113.4 99.58 7.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 103.329 -2.841 . . . . 40.45 103.329 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.78 145.07 18.19 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.341 -0.845 . . . . 37.09 114.213 -178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.65 -118.53 0.92 Allowed Glycine 0 C--O 1.219 -0.792 0 N-CA-C 105.957 -2.857 . . . . 36.24 105.957 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.0 p -70.3 -15.42 62.89 Favored 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 119.587 -0.845 . . . . 40.32 108.79 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 p -153.99 -176.93 6.08 Favored 'General case' 0 C--O 1.248 0.975 0 N-CA-C 105.684 -1.969 . . . . 38.43 105.684 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.78 107.21 18.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 104.412 -2.44 . . . . 33.26 104.412 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -80.11 -32.94 39.04 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 114.921 -1.036 . . . . 33.59 112.481 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 t -159.34 145.39 16.31 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.04 -0.664 . . . . 29.09 112.06 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.0 tt -136.99 144.74 31.35 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 107.303 -1.369 . . . . 26.33 107.303 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -149.0 143.97 26.45 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.349 -0.841 . . . . 28.71 110.487 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.5 144.12 46.25 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 116.512 2.041 . . . . 25.36 116.512 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -114.14 137.52 47.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.566 0 N-CA-C 101.78 -3.415 . . . . 28.2 101.78 173.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -147.83 163.85 35.49 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.585 -1.246 . . . . 32.08 112.833 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -120.72 139.42 53.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.589 -1.263 . . . . 47.14 107.589 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -86.2 -178.85 6.6 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 104.36 -2.459 . . . . 42.89 104.36 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -53.91 -22.24 9.62 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.24 1.941 . . . . 56.43 116.24 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -101.48 16.78 24.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.807 1.41 . . . . 51.69 114.807 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 66.9 19.84 10.59 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 120.323 3.453 . . . . 50.91 120.323 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.91 136.81 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 101.746 -3.427 . . . . 41.36 101.746 174.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.71 137.08 34.26 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.752 -0.658 . . . . 43.13 112.378 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -132.16 153.62 50.35 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 120.631 0.253 . . . . 30.16 111.296 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -116.27 134.69 54.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.194 -1.039 . . . . 40.42 108.194 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.4 p -83.35 169.95 15.08 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 105.537 -2.023 . . . . 25.96 105.537 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.71 176.48 53.71 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 107.305 -2.318 . . . . 27.51 107.305 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -83.29 140.13 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.533 -0.98 . . . . 39.5 109.46 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.81 109.99 19.02 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 102.529 -3.137 . . . . 29.36 102.529 175.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.95 133.48 8.09 Favored Glycine 0 C--O 1.248 0.971 1 N-CA-C 98.268 -5.933 . . . . 35.52 98.268 -175.136 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -115.37 -9.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 117.995 2.591 . . . . 39.32 117.995 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.93 -173.94 3.34 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.752 0.311 . . . . 42.24 111.052 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.73 144.24 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 115.022 0.769 . . . . 47.71 115.022 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -72.18 0.73 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.437 0.695 . . . . 56.02 111.082 179.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 150.4 48.94 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 113.277 0.843 . . . . 53.53 113.277 179.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.94 151.69 49.32 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.508 2.04 . . . . 44.9 116.508 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -120.51 139.08 53.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 104.161 -2.533 . . . . 38.96 104.161 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 m -128.69 132.71 48.05 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.175 -0.676 . . . . 33.41 109.175 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.27 132.59 64.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 104.828 -2.286 . . . . 30.29 104.828 175.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.2 m -124.49 122.9 38.89 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 106.165 -1.791 . . . . 29.93 106.165 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.82 149.91 26.1 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 116.037 1.866 . . . . 33.89 116.037 -176.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.39 163.0 26.17 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 103.661 -2.718 . . . . 37.53 103.661 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.16 -23.37 65.77 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 118.223 2.675 . . . . 52.99 118.223 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' N ' ' OD2' ' A' ' 76' ' ' ASP . 32.6 p-10 -108.45 29.41 7.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.488 1.118 . . . . 43.61 108.545 178.502 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 33.6 tt0 -116.02 133.26 56.22 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.104 -0.702 . . . . 38.42 109.104 179.227 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.56 148.9 50.57 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.448 -0.342 . . . . 42.23 111.162 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.62 134.29 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 107.759 -1.201 . . . . 33.02 107.759 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.1 p -119.32 -11.12 9.59 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.791 0.329 . . . . 30.23 111.059 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.3 150.25 9.08 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.941 0.401 . . . . 29.07 110.603 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.26 149.99 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 102.652 -3.092 . . . . 32.99 102.652 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 p -155.51 171.12 20.46 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 104.748 -2.316 . . . . 32.08 104.748 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.24 -163.45 34.23 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 119.263 -1.446 . . . . 32.78 111.427 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 82.7 p -140.37 157.49 45.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.078 -1.823 . . . . 35.0 106.078 179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -137.39 155.84 48.91 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.482 -2.414 . . . . 42.42 104.482 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.95 -173.08 43.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.204 -0.998 . . . . 48.05 111.501 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 137.18 53.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.287 1.041 . . . . 53.51 113.502 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -139.48 101.0 4.12 Favored 'General case' 0 C--N 1.314 -0.969 1 N-CA-C 98.251 -4.722 . . . . 58.56 98.251 177.277 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 63.61 -131.06 0.43 Allowed 'General case' 0 C--O 1.245 0.864 0 N-CA-C 101.973 -3.343 . . . . 67.73 101.973 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -110.21 33.09 4.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 113.789 -3.164 . . . . 68.03 115.958 -177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 551' ' ' HOH . 2.3 ptp -132.24 156.48 46.41 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.827 -1.079 . . . . 57.03 109.923 178.364 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.9 m -97.39 124.94 41.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.794 -1.558 . . . . 47.64 106.794 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -138.92 172.65 13.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 108.225 -1.028 . . . . 38.27 108.225 -178.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.88 126.29 35.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 N-CA-C 106.023 -1.843 . . . . 32.05 106.023 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 p -101.45 -30.3 11.51 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 118.776 -1.169 . . . . 29.89 114.115 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.5 p -149.23 155.6 40.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.441 -0.948 . . . . 28.76 108.441 177.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -138.58 146.23 41.57 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.476 -0.935 . . . . 28.41 108.476 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -134.8 137.02 42.99 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 106.636 -1.616 . . . . 29.33 106.636 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.56 137.4 53.26 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 118.669 -1.212 . . . . 31.86 109.153 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -119.88 137.12 54.2 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.259 -0.882 . . . . 40.16 109.587 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.6 p -126.7 -179.21 4.69 Favored 'General case' 0 C--O 1.25 1.079 0 N-CA-C 106.737 -1.579 . . . . 34.83 106.737 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -70.96 -8.42 53.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.709 -0.678 . . . . 40.19 109.977 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -106.52 -36.99 6.61 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.769 1.026 . . . . 46.63 113.769 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -172.6 178.6 2.65 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 115.482 1.66 . . . . 49.5 115.482 -179.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.61 134.81 46.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 107.986 -1.116 . . . . 39.77 107.986 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -115.45 137.25 52.25 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.817 -1.179 . . . . 36.79 107.817 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.9 -164.85 18.59 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 111.13 -0.788 . . . . 35.74 111.13 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -63.44 148.75 65.76 Favored 'Cis proline' 0 C--O 1.22 -0.419 0 CA-C-N 118.414 1.107 . . . . 35.96 114.387 0.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.89 144.75 39.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 103.065 -2.939 . . . . 33.53 103.065 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 79.91 -153.1 35.82 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.96 -0.856 . . . . 33.85 110.96 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.6 m -118.52 124.84 48.54 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 115.244 1.572 . . . . 37.0 115.244 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.65 99.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.984 1.105 . . . . 41.81 113.984 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.32 -169.37 2.39 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 126.86 2.064 . . . . 46.47 110.941 -179.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t -79.94 -40.92 27.11 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 119.459 3.133 . . . . 50.52 119.459 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.1 m -90.33 121.62 32.49 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 114.767 1.395 . . . . 45.42 114.767 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -95.91 159.37 15.0 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.171 -0.922 . . . . 43.02 111.798 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -150.34 149.42 30.07 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 100.471 -3.9 . . . . 37.41 100.471 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.4 t -144.35 134.22 23.83 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.112 -0.949 . . . . 38.75 110.539 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.84 82.91 42.47 Favored Pre-proline 0 C--O 1.215 -0.748 0 C-N-CA 119.53 -0.868 . . . . 31.48 111.38 176.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -89.76 154.3 5.09 Favored 'Trans proline' 0 C--N 1.353 0.809 0 N-CA-C 106.129 -2.296 . . . . 28.15 106.129 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.59 122.28 45.15 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.859 -0.793 . . . . 28.26 108.859 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.6 m -82.19 -25.06 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 117.976 -1.49 . . . . 28.54 108.01 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -150.55 140.83 22.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 104.403 -2.443 . . . . 39.32 104.403 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 110.12 -178.72 20.26 Favored Glycine 0 C--O 1.247 0.937 0 C-N-CA 119.714 -1.231 . . . . 30.07 112.191 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -144.44 162.48 36.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.205 0.526 . . . . 42.36 111.264 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -88.78 111.15 21.67 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.752 -1.573 . . . . 27.76 106.752 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.91 -20.02 53.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 105.643 -1.984 . . . . 25.27 105.643 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.66 -155.71 24.57 Favored Glycine 0 C--O 1.215 -1.087 0 C-N-CA 120.323 -0.941 . . . . 23.6 112.829 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -143.78 164.44 30.5 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.205 0.526 . . . . 26.85 109.975 -177.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -152.68 172.67 16.3 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 104.324 -2.472 . . . . 22.32 104.324 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.08 -155.97 27.27 Favored Glycine 0 N--CA 1.436 -1.336 0 CA-C-O 122.785 1.214 . . . . 23.06 110.182 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.75 145.17 51.0 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.111 -1.045 . . . . 29.94 108.365 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 p -152.99 156.97 39.85 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.756 0.789 . . . . 27.78 110.216 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -147.75 -108.19 0.5 Allowed Glycine 0 CA--C 1.504 -0.61 0 N-CA-C 103.345 -3.902 . . . . 32.47 103.345 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -75.03 -36.96 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.638 -1.616 . . . . 37.69 106.638 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.99 -172.91 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 109.439 -0.578 . . . . 32.15 109.439 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.8 tp -89.65 100.68 13.43 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.599 0.714 . . . . 29.34 110.187 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.72 -41.17 88.35 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 116.396 1.999 . . . . 29.39 116.396 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 71.2 p -158.95 161.7 36.75 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.201 0.938 . . . . 26.8 111.426 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.6 tt -151.76 148.75 14.4 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 C-N-CA 119.396 -0.922 . . . . 25.16 109.692 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -147.39 179.59 24.18 Favored Glycine 0 C--O 1.247 0.929 0 N-CA-C 108.488 -1.845 . . . . 25.1 108.488 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -114.07 147.59 18.73 Favored Glycine 0 C--O 1.241 0.558 0 C-N-CA 120.081 -1.056 . . . . 24.99 114.749 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.0 t -106.96 106.68 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 100.228 -3.99 . . . . 26.21 100.228 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 13.2 m -108.47 143.15 19.33 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 N-CA-C 115.303 1.594 . . . . 28.49 115.303 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.44 162.78 54.32 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 114.82 -1.082 . . . . 29.15 111.691 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo . . . . . 0 N--CA 1.484 0.957 0 C-N-CA 122.012 1.808 . . . . 32.02 111.506 179.703 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' HOH . . . . . 0.407 ' O ' ' CE ' ' A' ' 92' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' HOH . . . . . 0.405 ' O ' ' N ' ' A' ' 8' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 108.537 -0.912 . . . . 67.47 108.537 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . 0.658 ' H ' ' HB2' ' A' ' 7' ' ' ALA . 2.8 t 19.24 53.05 0.01 OUTLIER 'General case' 0 C--O 1.258 1.541 0 CA-C-O 125.114 2.388 . . . . 68.02 110.431 -173.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.99 -63.49 0.53 Allowed 'General case' 0 N--CA 1.431 -1.407 2 N-CA-C 80.36 -11.348 . . . . 65.15 80.36 174.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -107.26 29.35 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.674 0 N-CA-C 117.299 2.333 . . . . 57.88 117.299 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.658 ' HB2' ' H ' ' A' ' 4' ' ' SER . . . -80.4 -35.26 35.47 Favored 'General case' 0 C--O 1.25 1.124 0 N-CA-C 116.208 1.929 . . . . 49.71 116.208 -178.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -109.39 111.13 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 118.613 -1.235 . . . . 40.12 111.59 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -113.41 106.5 14.65 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.329 -0.851 . . . . 31.1 109.379 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.75 127.22 40.58 Favored 'General case' 0 C--O 1.254 1.311 0 C-N-CA 123.894 0.878 . . . . 27.46 110.394 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.35 -148.54 17.59 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 107.473 -2.251 . . . . 26.83 107.473 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -83.41 170.76 52.75 Favored 'Cis proline' 0 CA--C 1.513 -0.567 0 CA-C-N 119.306 1.553 . . . . 27.73 111.337 0.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 32.5 m-90 -117.8 139.03 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.913 -1.884 . . . . 30.55 105.913 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.11 -154.25 20.19 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 109.509 -1.436 . . . . 35.04 109.509 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.12 -170.31 36.52 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 117.134 1.614 . . . . 38.14 117.134 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -106.64 -0.41 23.74 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 115.679 1.733 . . . . 47.3 115.679 -176.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.04 178.65 40.21 Favored Glycine 0 C--O 1.243 0.657 0 C-N-CA 119.786 -1.197 . . . . 37.42 112.629 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.05 -172.36 25.67 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.02 -1.09 . . . . 35.5 115.674 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -115.07 146.79 40.94 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.487 -0.856 . . . . 47.29 111.135 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -63.66 135.05 56.45 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.794 -1.548 . . . . 30.43 114.47 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -139.92 161.52 37.39 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 105.657 -1.979 . . . . 25.42 105.657 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 tt -148.87 139.99 23.08 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 124.507 1.13 . . . . 26.21 109.972 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -144.82 118.49 9.19 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.172 -0.955 . . . . 23.24 111.484 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.4 p -118.12 -179.91 3.9 Favored 'General case' 0 C--O 1.272 2.28 0 N-CA-C 107.514 -1.291 . . . . 27.5 107.514 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.91 8.48 44.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.407 -1.724 . . . . 26.72 111.237 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 47.98 48.32 18.12 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 124.292 1.037 . . . . 29.9 113.172 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.13 -12.99 68.2 Favored Glycine 0 C--N 1.342 0.874 0 O-C-N 124.271 0.982 . . . . 32.6 114.679 179.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 49' ' ' LYS . . . -95.61 -128.11 5.46 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.297 -0.954 . . . . 32.17 113.084 -179.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -143.48 143.57 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.727 1.01 . . . . 38.68 113.727 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.03 122.42 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 103.417 -2.809 . . . . 32.96 103.417 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -103.75 -29.02 11.3 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.797 1.777 . . . . 30.0 115.797 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.5 m -142.68 149.56 39.01 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 121.259 0.552 . . . . 28.93 110.905 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.36 126.83 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 104.198 -2.519 . . . . 24.11 104.198 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.19 112.51 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 106.175 -1.787 . . . . 28.76 106.175 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mt -113.95 130.18 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 C-N-CA 125.837 1.655 . . . . 32.43 114.697 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -113.4 99.58 7.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 103.329 -2.841 . . . . 40.45 103.329 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.78 145.07 18.19 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.341 -0.845 . . . . 37.09 114.213 -178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.65 -118.53 0.92 Allowed Glycine 0 C--O 1.219 -0.792 0 N-CA-C 105.957 -2.857 . . . . 36.24 105.957 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 516' ' ' HOH . 78.0 p -70.3 -15.42 62.89 Favored 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 119.587 -0.845 . . . . 40.32 108.79 178.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 p -153.99 -176.93 6.08 Favored 'General case' 0 C--O 1.248 0.975 0 N-CA-C 105.684 -1.969 . . . . 38.43 105.684 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.78 107.21 18.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 104.412 -2.44 . . . . 33.26 104.412 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -80.11 -32.94 39.04 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 114.921 -1.036 . . . . 33.59 112.481 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 t -159.34 145.39 16.31 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.04 -0.664 . . . . 29.09 112.06 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.0 tt -136.99 144.74 31.35 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 107.303 -1.369 . . . . 26.33 107.303 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -149.0 143.97 26.45 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.349 -0.841 . . . . 28.71 110.487 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.5 144.12 46.25 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 116.512 2.041 . . . . 25.36 116.512 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -114.14 137.52 47.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.566 0 N-CA-C 101.78 -3.415 . . . . 28.2 101.78 173.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -147.83 163.85 35.49 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.585 -1.246 . . . . 32.08 112.833 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . 0.577 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 49.3 mttm -120.72 139.42 53.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.589 -1.263 . . . . 47.14 107.589 179.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -86.2 -178.85 6.6 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 104.36 -2.459 . . . . 42.89 104.36 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -53.91 -22.24 9.62 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.24 1.941 . . . . 56.43 116.24 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 10.2 m-20 -101.48 16.78 24.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.807 1.41 . . . . 51.69 114.807 -179.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 66.9 19.84 10.59 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 120.323 3.453 . . . . 50.91 120.323 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 52' ' ' ASP . 4.9 mp -81.91 136.81 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 101.746 -3.427 . . . . 41.36 101.746 174.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.71 137.08 34.26 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.752 -0.658 . . . . 43.13 112.378 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -132.16 153.62 50.35 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 120.631 0.253 . . . . 30.16 111.296 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -116.27 134.69 54.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.194 -1.039 . . . . 40.42 108.194 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.4 p -83.35 169.95 15.08 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 105.537 -2.023 . . . . 25.96 105.537 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.71 176.48 53.71 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 107.305 -2.318 . . . . 27.51 107.305 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -83.29 140.13 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.533 -0.98 . . . . 39.5 109.46 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.81 109.99 19.02 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 102.529 -3.137 . . . . 29.36 102.529 175.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.95 133.48 8.09 Favored Glycine 0 C--O 1.248 0.971 1 N-CA-C 98.268 -5.933 . . . . 35.52 98.268 -175.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -115.37 -9.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 117.995 2.591 . . . . 39.32 117.995 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.93 -173.94 3.34 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.752 0.311 . . . . 42.24 111.052 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.73 144.24 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 115.022 0.769 . . . . 47.71 115.022 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -72.18 0.73 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.437 0.695 . . . . 56.02 111.082 179.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -67.46 150.4 48.94 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 113.277 0.843 . . . . 53.53 113.277 179.617 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.94 151.69 49.32 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.508 2.04 . . . . 44.9 116.508 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -120.51 139.08 53.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 104.161 -2.533 . . . . 38.96 104.161 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 m -128.69 132.71 48.05 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.175 -0.676 . . . . 33.41 109.175 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.27 132.59 64.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 104.828 -2.286 . . . . 30.29 104.828 175.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.2 m -124.49 122.9 38.89 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 106.165 -1.791 . . . . 29.93 106.165 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.82 149.91 26.1 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 116.037 1.866 . . . . 33.89 116.037 -176.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.39 163.0 26.17 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 103.661 -2.718 . . . . 37.53 103.661 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.16 -23.37 65.77 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 118.223 2.675 . . . . 52.99 118.223 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -108.45 29.41 7.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.488 1.118 . . . . 43.61 108.545 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.02 133.26 56.22 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.104 -0.702 . . . . 38.42 109.104 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.56 148.9 50.57 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.448 -0.342 . . . . 42.23 111.162 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.62 134.29 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 107.759 -1.201 . . . . 33.02 107.759 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.1 p -119.32 -11.12 9.59 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.791 0.329 . . . . 30.23 111.059 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.3 150.25 9.08 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.941 0.401 . . . . 29.07 110.603 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.26 149.99 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 102.652 -3.092 . . . . 32.99 102.652 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 p -155.51 171.12 20.46 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 104.748 -2.316 . . . . 32.08 104.748 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.24 -163.45 34.23 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 119.263 -1.446 . . . . 32.78 111.427 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 116' ' ' SER . 82.7 p -140.37 157.49 45.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.078 -1.823 . . . . 35.0 106.078 179.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -137.39 155.84 48.91 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.482 -2.414 . . . . 42.42 104.482 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.95 -173.08 43.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.204 -0.998 . . . . 48.05 111.501 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 137.18 53.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.287 1.041 . . . . 53.51 113.502 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 90' ' ' TYR . 48.7 t80 -139.48 101.0 4.12 Favored 'General case' 0 C--N 1.314 -0.969 1 N-CA-C 98.251 -4.722 . . . . 58.56 98.251 177.277 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 89' ' ' TYR . 10.7 m-85 63.61 -131.06 0.43 Allowed 'General case' 0 C--O 1.245 0.864 0 N-CA-C 101.973 -3.343 . . . . 67.73 101.973 -175.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -110.21 33.09 4.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 113.789 -3.164 . . . . 68.03 115.958 -177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' MET . . . . . 0.84 ' HE2' ' O ' ' A' ' 551' ' ' HOH . 2.3 ptp -132.24 156.48 46.41 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.827 -1.079 . . . . 57.03 109.923 178.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.9 m -97.39 124.94 41.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.794 -1.558 . . . . 47.64 106.794 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -138.92 172.65 13.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 108.225 -1.028 . . . . 38.27 108.225 -178.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.88 126.29 35.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 N-CA-C 106.023 -1.843 . . . . 32.05 106.023 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 p -101.45 -30.3 11.51 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 118.776 -1.169 . . . . 29.89 114.115 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 110' ' ' PHE . 97.5 p -149.23 155.6 40.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.441 -0.948 . . . . 28.76 108.441 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -138.58 146.23 41.57 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.476 -0.935 . . . . 28.41 108.476 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -134.8 137.02 42.99 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 106.636 -1.616 . . . . 29.33 106.636 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.56 137.4 53.26 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 118.669 -1.212 . . . . 31.86 109.153 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -119.88 137.12 54.2 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.259 -0.882 . . . . 40.16 109.587 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.6 p -126.7 -179.21 4.69 Favored 'General case' 0 C--O 1.25 1.079 0 N-CA-C 106.737 -1.579 . . . . 34.83 106.737 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -70.96 -8.42 53.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.709 -0.678 . . . . 40.19 109.977 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -106.52 -36.99 6.61 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.769 1.026 . . . . 46.63 113.769 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HE2' ' CE2' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -172.6 178.6 2.65 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 115.482 1.66 . . . . 49.5 115.482 -179.674 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.61 134.81 46.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 107.986 -1.116 . . . . 39.77 107.986 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' TYR . . . . . 0.494 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 88.2 m-85 -115.45 137.25 52.25 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.817 -1.179 . . . . 36.79 107.817 178.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.9 -164.85 18.59 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 111.13 -0.788 . . . . 35.74 111.13 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -63.44 148.75 65.76 Favored 'Cis proline' 0 C--O 1.22 -0.419 0 CA-C-N 118.414 1.107 . . . . 35.96 114.387 0.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' SER . 98.8 m-85 -110.89 144.75 39.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 103.065 -2.939 . . . . 33.53 103.065 177.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 79.91 -153.1 35.82 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.96 -0.856 . . . . 33.85 110.96 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.6 m -118.52 124.84 48.54 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 115.244 1.572 . . . . 37.0 115.244 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.65 99.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.984 1.105 . . . . 41.81 113.984 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.32 -169.37 2.39 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 126.86 2.064 . . . . 46.47 110.941 -179.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t -79.94 -40.92 27.11 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 119.459 3.133 . . . . 50.52 119.459 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 85' ' ' THR . 44.1 m -90.33 121.62 32.49 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 114.767 1.395 . . . . 45.42 114.767 -179.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -95.91 159.37 15.0 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.171 -0.922 . . . . 43.02 111.798 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -150.34 149.42 30.07 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 100.471 -3.9 . . . . 37.41 100.471 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.4 t -144.35 134.22 23.83 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.112 -0.949 . . . . 38.75 110.539 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.84 82.91 42.47 Favored Pre-proline 0 C--O 1.215 -0.748 0 C-N-CA 119.53 -0.868 . . . . 31.48 111.38 176.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -89.76 154.3 5.09 Favored 'Trans proline' 0 C--N 1.353 0.809 0 N-CA-C 106.129 -2.296 . . . . 28.15 106.129 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.59 122.28 45.15 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.859 -0.793 . . . . 28.26 108.859 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.6 m -82.19 -25.06 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 117.976 -1.49 . . . . 28.54 108.01 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -150.55 140.83 22.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 104.403 -2.443 . . . . 39.32 104.403 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 110.12 -178.72 20.26 Favored Glycine 0 C--O 1.247 0.937 0 C-N-CA 119.714 -1.231 . . . . 30.07 112.191 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LYS . . . . . 0.498 ' HE2' ' O ' ' A' ' 562' ' ' HOH . 30.0 mtmt -144.44 162.48 36.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.205 0.526 . . . . 42.36 111.264 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -88.78 111.15 21.67 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.752 -1.573 . . . . 27.76 106.752 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.91 -20.02 53.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 105.643 -1.984 . . . . 25.27 105.643 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.66 -155.71 24.57 Favored Glycine 0 C--O 1.215 -1.087 0 C-N-CA 120.323 -0.941 . . . . 23.6 112.829 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -143.78 164.44 30.5 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.205 0.526 . . . . 26.85 109.975 -177.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -152.68 172.67 16.3 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 104.324 -2.472 . . . . 22.32 104.324 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.08 -155.97 27.27 Favored Glycine 0 N--CA 1.436 -1.336 0 CA-C-O 122.785 1.214 . . . . 23.06 110.182 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.75 145.17 51.0 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.111 -1.045 . . . . 29.94 108.365 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 p -152.99 156.97 39.85 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.756 0.789 . . . . 27.78 110.216 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -147.75 -108.19 0.5 Allowed Glycine 0 CA--C 1.504 -0.61 0 N-CA-C 103.345 -3.902 . . . . 32.47 103.345 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -75.03 -36.96 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.638 -1.616 . . . . 37.69 106.638 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.99 -172.91 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 109.439 -0.578 . . . . 32.15 109.439 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.8 tp -89.65 100.68 13.43 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.599 0.714 . . . . 29.34 110.187 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.72 -41.17 88.35 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 116.396 1.999 . . . . 29.39 116.396 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 71.2 p -158.95 161.7 36.75 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.201 0.938 . . . . 26.8 111.426 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.6 tt -151.76 148.75 14.4 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 C-N-CA 119.396 -0.922 . . . . 25.16 109.692 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -147.39 179.59 24.18 Favored Glycine 0 C--O 1.247 0.929 0 N-CA-C 108.488 -1.845 . . . . 25.1 108.488 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -114.07 147.59 18.73 Favored Glycine 0 C--O 1.241 0.558 0 C-N-CA 120.081 -1.056 . . . . 24.99 114.749 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.0 t -106.96 106.68 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 100.228 -3.99 . . . . 26.21 100.228 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 13.2 m -108.47 143.15 19.33 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 N-CA-C 115.303 1.594 . . . . 28.49 115.303 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.44 162.78 54.32 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 114.82 -1.082 . . . . 29.15 111.691 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo . . . . . 0 N--CA 1.484 0.957 0 C-N-CA 122.012 1.808 . . . . 32.02 111.506 179.703 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . 0.62 ' O ' HG23 ' A' ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 551' ' ' HOH . . . . . 0.84 ' O ' ' HE2' ' A' ' 92' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 562' ' ' HOH . . . . . 0.498 ' O ' ' HE2' ' A' ' 126' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 108.537 -0.912 . . . . 67.47 108.537 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . 0.658 ' H ' ' HB2' ' A' ' 7' ' ' ALA . 2.8 t 19.24 53.05 0.01 OUTLIER 'General case' 0 C--O 1.258 1.541 0 CA-C-O 125.114 2.388 . . . . 68.02 110.431 -173.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.99 -63.49 0.53 Allowed 'General case' 0 N--CA 1.431 -1.407 2 N-CA-C 80.36 -11.348 . . . . 65.15 80.36 174.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -107.26 29.35 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.674 0 N-CA-C 117.299 2.333 . . . . 57.88 117.299 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.658 ' HB2' ' H ' ' A' ' 4' ' ' SER . . . -80.4 -35.26 35.47 Favored 'General case' 0 C--O 1.25 1.124 0 N-CA-C 116.208 1.929 . . . . 49.71 116.208 -178.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -109.39 111.13 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 118.613 -1.235 . . . . 40.12 111.59 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -113.41 106.5 14.65 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.329 -0.851 . . . . 31.1 109.379 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.75 127.22 40.58 Favored 'General case' 0 C--O 1.254 1.311 0 C-N-CA 123.894 0.878 . . . . 27.46 110.394 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.35 -148.54 17.59 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 107.473 -2.251 . . . . 26.83 107.473 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -83.41 170.76 52.75 Favored 'Cis proline' 0 CA--C 1.513 -0.567 0 CA-C-N 119.306 1.553 . . . . 27.73 111.337 0.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 32.5 m-90 -117.8 139.03 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 105.913 -1.884 . . . . 30.55 105.913 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.11 -154.25 20.19 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 109.509 -1.436 . . . . 35.04 109.509 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.12 -170.31 36.52 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 117.134 1.614 . . . . 38.14 117.134 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -106.64 -0.41 23.74 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 115.679 1.733 . . . . 47.3 115.679 -176.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.04 178.65 40.21 Favored Glycine 0 C--O 1.243 0.657 0 C-N-CA 119.786 -1.197 . . . . 37.42 112.629 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.05 -172.36 25.67 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.02 -1.09 . . . . 35.5 115.674 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -115.07 146.79 40.94 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.487 -0.856 . . . . 47.29 111.135 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -63.66 135.05 56.45 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.794 -1.548 . . . . 30.43 114.47 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -139.92 161.52 37.39 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 105.657 -1.979 . . . . 25.42 105.657 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 tt -148.87 139.99 23.08 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 124.507 1.13 . . . . 26.21 109.972 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -144.82 118.49 9.19 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 121.172 -0.955 . . . . 23.24 111.484 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.4 p -118.12 -179.91 3.9 Favored 'General case' 0 C--O 1.272 2.28 0 N-CA-C 107.514 -1.291 . . . . 27.5 107.514 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.91 8.48 44.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.407 -1.724 . . . . 26.72 111.237 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 47.98 48.32 18.12 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 124.292 1.037 . . . . 29.9 113.172 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.13 -12.99 68.2 Favored Glycine 0 C--N 1.342 0.874 0 O-C-N 124.271 0.982 . . . . 32.6 114.679 179.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 49' ' ' LYS . . . -95.61 -128.11 5.46 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.297 -0.954 . . . . 32.17 113.084 -179.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -143.48 143.57 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.727 1.01 . . . . 38.68 113.727 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.03 122.42 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 N-CA-C 103.417 -2.809 . . . . 32.96 103.417 175.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -103.75 -29.02 11.3 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.797 1.777 . . . . 30.0 115.797 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.5 m -142.68 149.56 39.01 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 121.259 0.552 . . . . 28.93 110.905 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.36 126.83 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 N-CA-C 104.198 -2.519 . . . . 24.11 104.198 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.19 112.51 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 106.175 -1.787 . . . . 28.76 106.175 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mt -113.95 130.18 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 C-N-CA 125.837 1.655 . . . . 32.43 114.697 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -113.4 99.58 7.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 103.329 -2.841 . . . . 40.45 103.329 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.78 145.07 18.19 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.341 -0.845 . . . . 37.09 114.213 -178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.65 -118.53 0.92 Allowed Glycine 0 C--O 1.219 -0.792 0 N-CA-C 105.957 -2.857 . . . . 36.24 105.957 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 516' ' ' HOH . 78.0 p -70.3 -15.42 62.89 Favored 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 119.587 -0.845 . . . . 40.32 108.79 178.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 p -153.99 -176.93 6.08 Favored 'General case' 0 C--O 1.248 0.975 0 N-CA-C 105.684 -1.969 . . . . 38.43 105.684 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.78 107.21 18.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 104.412 -2.44 . . . . 33.26 104.412 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -80.11 -32.94 39.04 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 114.921 -1.036 . . . . 33.59 112.481 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 t -159.34 145.39 16.31 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.04 -0.664 . . . . 29.09 112.06 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.0 tt -136.99 144.74 31.35 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 107.303 -1.369 . . . . 26.33 107.303 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -149.0 143.97 26.45 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.349 -0.841 . . . . 28.71 110.487 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.5 144.12 46.25 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 116.512 2.041 . . . . 25.36 116.512 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -114.14 137.52 47.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.566 0 N-CA-C 101.78 -3.415 . . . . 28.2 101.78 173.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -147.83 163.85 35.49 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.585 -1.246 . . . . 32.08 112.833 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.577 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 49.3 mttm -120.72 139.42 53.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.589 -1.263 . . . . 47.14 107.589 179.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -86.2 -178.85 6.6 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 104.36 -2.459 . . . . 42.89 104.36 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -53.91 -22.24 9.62 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.24 1.941 . . . . 56.43 116.24 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 10.2 m-20 -101.48 16.78 24.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.807 1.41 . . . . 51.69 114.807 -179.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 66.9 19.84 10.59 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 120.323 3.453 . . . . 50.91 120.323 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 52' ' ' ASP . 4.9 mp -81.91 136.81 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 101.746 -3.427 . . . . 41.36 101.746 174.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.71 137.08 34.26 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.752 -0.658 . . . . 43.13 112.378 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -132.16 153.62 50.35 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 120.631 0.253 . . . . 30.16 111.296 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -116.27 134.69 54.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.194 -1.039 . . . . 40.42 108.194 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.4 p -83.35 169.95 15.08 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 105.537 -2.023 . . . . 25.96 105.537 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.71 176.48 53.71 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 107.305 -2.318 . . . . 27.51 107.305 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -83.29 140.13 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.533 -0.98 . . . . 39.5 109.46 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.81 109.99 19.02 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 102.529 -3.137 . . . . 29.36 102.529 175.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.95 133.48 8.09 Favored Glycine 0 C--O 1.248 0.971 1 N-CA-C 98.268 -5.933 . . . . 35.52 98.268 -175.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -115.37 -9.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 117.995 2.591 . . . . 39.32 117.995 -177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.93 -173.94 3.34 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.752 0.311 . . . . 42.24 111.052 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.73 144.24 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 115.022 0.769 . . . . 47.71 115.022 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -72.18 0.73 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.437 0.695 . . . . 56.02 111.082 179.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -67.46 150.4 48.94 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 113.277 0.843 . . . . 53.53 113.277 179.617 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.94 151.69 49.32 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.508 2.04 . . . . 44.9 116.508 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -120.51 139.08 53.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 104.161 -2.533 . . . . 38.96 104.161 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 m -128.69 132.71 48.05 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 109.175 -0.676 . . . . 33.41 109.175 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.27 132.59 64.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 104.828 -2.286 . . . . 30.29 104.828 175.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.2 m -124.49 122.9 38.89 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 106.165 -1.791 . . . . 29.93 106.165 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.82 149.91 26.1 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 116.037 1.866 . . . . 33.89 116.037 -176.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.39 163.0 26.17 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 103.661 -2.718 . . . . 37.53 103.661 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.16 -23.37 65.77 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 118.223 2.675 . . . . 52.99 118.223 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -108.45 29.41 7.41 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.488 1.118 . . . . 43.61 108.545 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.02 133.26 56.22 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.104 -0.702 . . . . 38.42 109.104 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.56 148.9 50.57 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 116.448 -0.342 . . . . 42.23 111.162 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.62 134.29 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 107.759 -1.201 . . . . 33.02 107.759 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.1 p -119.32 -11.12 9.59 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.791 0.329 . . . . 30.23 111.059 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.3 150.25 9.08 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.941 0.401 . . . . 29.07 110.603 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.26 149.99 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 102.652 -3.092 . . . . 32.99 102.652 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 p -155.51 171.12 20.46 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 104.748 -2.316 . . . . 32.08 104.748 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.24 -163.45 34.23 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 119.263 -1.446 . . . . 32.78 111.427 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 116' ' ' SER . 82.7 p -140.37 157.49 45.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.078 -1.823 . . . . 35.0 106.078 179.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -137.39 155.84 48.91 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.482 -2.414 . . . . 42.42 104.482 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.95 -173.08 43.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.204 -0.998 . . . . 48.05 111.501 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 137.18 53.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.287 1.041 . . . . 53.51 113.502 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 90' ' ' TYR . 48.7 t80 -139.48 101.0 4.12 Favored 'General case' 0 C--N 1.314 -0.969 1 N-CA-C 98.251 -4.722 . . . . 58.56 98.251 177.277 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 89' ' ' TYR . 10.7 m-85 63.61 -131.06 0.43 Allowed 'General case' 0 C--O 1.245 0.864 0 N-CA-C 101.973 -3.343 . . . . 67.73 101.973 -175.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -110.21 33.09 4.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 113.789 -3.164 . . . . 68.03 115.958 -177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' MET . . . . . 0.84 ' HE2' ' O ' ' A' ' 551' ' ' HOH . 2.3 ptp -132.24 156.48 46.41 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.827 -1.079 . . . . 57.03 109.923 178.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.9 m -97.39 124.94 41.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.794 -1.558 . . . . 47.64 106.794 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -138.92 172.65 13.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 108.225 -1.028 . . . . 38.27 108.225 -178.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.88 126.29 35.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 N-CA-C 106.023 -1.843 . . . . 32.05 106.023 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 p -101.45 -30.3 11.51 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 118.776 -1.169 . . . . 29.89 114.115 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 110' ' ' PHE . 97.5 p -149.23 155.6 40.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.441 -0.948 . . . . 28.76 108.441 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -138.58 146.23 41.57 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.476 -0.935 . . . . 28.41 108.476 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -134.8 137.02 42.99 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 106.636 -1.616 . . . . 29.33 106.636 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.56 137.4 53.26 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 118.669 -1.212 . . . . 31.86 109.153 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -119.88 137.12 54.2 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.259 -0.882 . . . . 40.16 109.587 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.6 p -126.7 -179.21 4.69 Favored 'General case' 0 C--O 1.25 1.079 0 N-CA-C 106.737 -1.579 . . . . 34.83 106.737 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -70.96 -8.42 53.06 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.709 -0.678 . . . . 40.19 109.977 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -106.52 -36.99 6.61 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.769 1.026 . . . . 46.63 113.769 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HE2' ' CE2' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -172.6 178.6 2.65 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 115.482 1.66 . . . . 49.5 115.482 -179.674 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.61 134.81 46.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 107.986 -1.116 . . . . 39.77 107.986 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.494 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 88.2 m-85 -115.45 137.25 52.25 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.817 -1.179 . . . . 36.79 107.817 178.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.9 -164.85 18.59 Favored Glycine 0 C--O 1.224 -0.511 0 N-CA-C 111.13 -0.788 . . . . 35.74 111.13 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -63.44 148.75 65.76 Favored 'Cis proline' 0 C--O 1.22 -0.419 0 CA-C-N 118.414 1.107 . . . . 35.96 114.387 0.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' SER . 98.8 m-85 -110.89 144.75 39.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 103.065 -2.939 . . . . 33.53 103.065 177.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 79.91 -153.1 35.82 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.96 -0.856 . . . . 33.85 110.96 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.6 m -118.52 124.84 48.54 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 115.244 1.572 . . . . 37.0 115.244 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.65 99.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.984 1.105 . . . . 41.81 113.984 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.32 -169.37 2.39 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 126.86 2.064 . . . . 46.47 110.941 -179.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t -79.94 -40.92 27.11 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 119.459 3.133 . . . . 50.52 119.459 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 85' ' ' THR . 44.1 m -90.33 121.62 32.49 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 114.767 1.395 . . . . 45.42 114.767 -179.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 m -95.91 159.37 15.0 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 115.171 -0.922 . . . . 43.02 111.798 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -150.34 149.42 30.07 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 100.471 -3.9 . . . . 37.41 100.471 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.4 t -144.35 134.22 23.83 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.112 -0.949 . . . . 38.75 110.539 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.84 82.91 42.47 Favored Pre-proline 0 C--O 1.215 -0.748 0 C-N-CA 119.53 -0.868 . . . . 31.48 111.38 176.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -89.76 154.3 5.09 Favored 'Trans proline' 0 C--N 1.353 0.809 0 N-CA-C 106.129 -2.296 . . . . 28.15 106.129 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.59 122.28 45.15 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.859 -0.793 . . . . 28.26 108.859 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.6 m -82.19 -25.06 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 117.976 -1.49 . . . . 28.54 108.01 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -150.55 140.83 22.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 104.403 -2.443 . . . . 39.32 104.403 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 110.12 -178.72 20.26 Favored Glycine 0 C--O 1.247 0.937 0 C-N-CA 119.714 -1.231 . . . . 30.07 112.191 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.498 ' HE2' ' O ' ' A' ' 562' ' ' HOH . 30.0 mtmt -144.44 162.48 36.41 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.205 0.526 . . . . 42.36 111.264 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -88.78 111.15 21.67 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.752 -1.573 . . . . 27.76 106.752 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.91 -20.02 53.62 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 105.643 -1.984 . . . . 25.27 105.643 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.66 -155.71 24.57 Favored Glycine 0 C--O 1.215 -1.087 0 C-N-CA 120.323 -0.941 . . . . 23.6 112.829 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -143.78 164.44 30.5 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.205 0.526 . . . . 26.85 109.975 -177.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -152.68 172.67 16.3 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 104.324 -2.472 . . . . 22.32 104.324 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.08 -155.97 27.27 Favored Glycine 0 N--CA 1.436 -1.336 0 CA-C-O 122.785 1.214 . . . . 23.06 110.182 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.75 145.17 51.0 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.111 -1.045 . . . . 29.94 108.365 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 p -152.99 156.97 39.85 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.756 0.789 . . . . 27.78 110.216 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -147.75 -108.19 0.5 Allowed Glycine 0 CA--C 1.504 -0.61 0 N-CA-C 103.345 -3.902 . . . . 32.47 103.345 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -75.03 -36.96 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.638 -1.616 . . . . 37.69 106.638 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.99 -172.91 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 109.439 -0.578 . . . . 32.15 109.439 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.8 tp -89.65 100.68 13.43 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.599 0.714 . . . . 29.34 110.187 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.72 -41.17 88.35 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 116.396 1.999 . . . . 29.39 116.396 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 71.2 p -158.95 161.7 36.75 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.201 0.938 . . . . 26.8 111.426 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.6 tt -151.76 148.75 14.4 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 C-N-CA 119.396 -0.922 . . . . 25.16 109.692 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -147.39 179.59 24.18 Favored Glycine 0 C--O 1.247 0.929 0 N-CA-C 108.488 -1.845 . . . . 25.1 108.488 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -114.07 147.59 18.73 Favored Glycine 0 C--O 1.241 0.558 0 C-N-CA 120.081 -1.056 . . . . 24.99 114.749 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.0 t -106.96 106.68 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 100.228 -3.99 . . . . 26.21 100.228 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 13.2 m -108.47 143.15 19.33 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 N-CA-C 115.303 1.594 . . . . 28.49 115.303 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.44 162.78 54.32 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 114.82 -1.082 . . . . 29.15 111.691 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo . . . . . 0 N--CA 1.484 0.957 0 C-N-CA 122.012 1.808 . . . . 32.02 111.506 179.703 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . 0.62 ' O ' HG23 ' A' ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' HOH . . . . . 0.84 ' O ' ' HE2' ' A' ' 92' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' HOH . . . . . 0.498 ' O ' ' HE2' ' A' ' 126' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_