data_6nuk_residue ############################ # Computer software used # ############################ 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 6nuk _Structure_validation_residue.Date_analyzed 2019-06-07 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 ' -15' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.068 0 N-CA-C 110.093 -0.336 . . . . 90.15 110.093 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -97.27 140.6 31.51 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.94 0.496 . . . . 131.02 110.258 -174.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -130.37 153.22 48.94 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.765 0.793 . . . . 73.17 111.011 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -133.77 128.36 34.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.564 -1.198 . . . . 75.92 109.065 174.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -117.5 128.32 54.86 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.877 -1.157 . . . . 84.74 107.877 167.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -10' ' ' GLY . . . . . . . . . . . . . . . -129.44 148.68 18.39 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.65 -0.98 . . . . 46.51 110.65 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -9' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -146.83 135.35 21.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.207 -1.405 . . . . 83.04 107.207 177.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 58.3 p -144.14 151.79 40.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.371 0.605 . . . . 45.12 109.901 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -7' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -137.8 131.71 31.58 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.977 -1.011 . . . . 93.42 108.48 173.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -6' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -126.42 133.6 51.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.86 -0.793 . . . . 44.68 108.86 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 48.1 tp -121.24 125.8 48.01 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.678 -0.86 . . . . 67.33 108.678 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -118.77 122.37 42.27 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.54 -0.911 . . . . 64.0 108.54 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -152.77 175.76 12.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.799 0.809 . . . . 62.36 109.303 -174.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -127.79 154.19 45.7 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.07 -1.085 . . . . 106.06 108.07 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 115.81 -176.7 16.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-O 122.431 1.017 . . . . 67.17 112.613 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.3 p -81.07 148.88 29.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.173 -1.014 . . . . 84.36 110.889 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 t -141.94 134.49 28.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.012 . . . . 63.8 108.266 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.99 130.31 72.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.201 -1.407 . . . . 50.06 107.201 171.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -115.87 134.52 54.91 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.171 -0.677 . . . . 105.06 109.171 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.9 mt -125.47 129.63 72.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 107.291 -1.374 . . . . 57.6 107.291 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' OE1' ' NH1' ' A' ' 50' ' ' ARG . 5.5 tt0 -125.2 138.78 54.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 99.59 108.945 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.5 pt -127.92 145.59 34.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 121.72 0.771 . . . . 59.58 109.994 169.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -132.39 131.27 41.66 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 107.249 -1.389 . . . . 94.17 107.249 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -151.18 164.83 35.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 122.048 0.928 . . . . 51.6 110.098 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.0 p -114.41 133.88 55.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.147 -1.427 . . . . 68.26 107.147 172.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -132.49 160.76 35.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.89 0.852 . . . . 72.84 110.819 -176.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . . . -129.8 28.6 5.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.376 -1.284 . . . . 74.95 110.334 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -132.53 77.34 1.74 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 104.815 -2.291 . . . . 98.83 104.815 169.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.82 -49.28 73.47 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.948 -0.569 . . . . 88.9 111.775 -170.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -70.43 -35.14 73.21 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.368 -1.333 . . . . 98.06 111.439 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -62.1 -50.99 69.74 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.545 -0.462 . . . . 129.08 110.579 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.1 -37.44 73.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.764 0.316 . . . . 58.67 110.801 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -58.76 -47.49 84.5 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.821 -0.752 . . . . 80.08 110.743 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.25 -30.59 69.67 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.505 -0.478 . . . . 110.63 111.976 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.76 -43.85 78.86 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.363 -0.935 . . . . 79.99 110.642 174.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 83.86 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.726 -0.39 . . . . 58.12 111.31 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.39 -30.71 71.14 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.876 -0.729 . . . . 87.06 111.459 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -73.99 -40.27 63.08 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.279 -0.568 . . . . 95.45 111.064 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.72 -43.62 92.82 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 121.063 -0.255 . . . . 69.02 110.917 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.58 -39.59 77.13 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 120.458 -0.497 . . . . 78.32 111.306 173.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.38 -37.78 83.69 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.251 -0.58 . . . . 104.38 111.458 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' NE ' ' OE2' ' A' ' 69' ' ' GLU . 76.3 mtp85 -67.74 -37.09 81.69 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.272 -0.571 . . . . 119.01 111.634 176.563 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.42 -36.15 82.1 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.502 -0.879 . . . . 55.82 110.597 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -64.35 -39.79 94.59 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.458 -0.497 . . . . 91.29 110.917 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.78 -47.98 78.74 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.982 0.42 . . . . 100.38 110.777 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.29 -36.7 82.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.97 -0.292 . . . . 70.24 111.291 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -67.31 -37.04 82.7 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.02 -0.672 . . . . 58.64 111.258 176.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.54 -45.65 86.23 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.22 -0.592 . . . . 101.67 111.276 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -83.19 5.16 23.78 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.893 0.701 . . . . 90.94 112.893 -175.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 p -126.84 164.06 22.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.573 0.702 . . . . 74.19 109.879 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.77 2.4 83.32 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.323 -0.853 . . . . 69.7 113.929 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . 0.443 ' OG ' ' OE2' ' A' ' 62' ' ' GLU . 66.4 p -84.44 168.96 15.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 122.471 1.129 . . . . 59.26 111.664 -175.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -117.18 135.57 53.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.235 -1.348 . . . . 118.23 107.757 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.1 mt -124.74 130.5 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.437 -0.579 . . . . 46.06 109.437 -175.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -119.09 132.83 56.05 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.328 -0.99 . . . . 81.66 108.328 173.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 tt -124.26 131.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 109.263 -0.643 . . . . 38.73 109.263 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -119.03 132.61 56.06 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.68 -0.859 . . . . 98.58 108.68 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -127.35 129.28 70.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.109 -0.7 . . . . 42.12 109.109 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -126.27 131.36 51.92 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.774 -0.454 . . . . 87.39 109.774 174.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -127.19 126.73 43.33 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.985 -0.746 . . . . 68.1 108.985 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -135.1 99.18 4.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.669 -1.604 . . . . 94.37 106.669 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 42.08 59.13 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.168 0.987 . . . . 83.71 111.777 173.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -22.76 33.26 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 115.958 1.143 . . . . 59.18 115.958 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -84.77 125.45 32.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.682 1.241 . . . . 81.79 108.893 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.2 t -124.07 130.83 73.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.769 -0.826 . . . . 35.6 108.769 -173.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' NH1' ' OE1' ' A' ' 5' ' ' GLU . 57.5 ttp85 -124.05 130.45 52.59 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 107.925 -1.139 . . . . 79.17 107.925 174.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.04 133.43 69.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 107.929 -1.137 . . . . 44.6 107.929 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -123.96 124.26 42.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.159 -1.052 . . . . 90.71 108.159 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -117.6 125.0 73.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 107.585 -1.265 . . . . 37.36 107.585 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -113.92 132.48 55.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.735 -0.839 . . . . 75.18 108.735 173.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -122.58 122.79 66.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.347 -1.353 . . . . 54.41 107.347 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . 0.853 ' NE ' ' O ' ' A' ' 101' ' ' HOH . 21.1 mtm105 -108.55 146.4 33.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.508 -0.553 . . . . 104.34 109.508 178.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 106' ' ' HOH . 29.8 m-20 56.0 47.1 20.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.26 -0.882 . . . . 105.26 109.795 -174.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 107' ' ' HOH . 33.0 p -86.38 157.76 19.78 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 122.141 0.972 . . . . 84.2 111.612 -172.879 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -119.23 154.95 32.6 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.491 -1.231 . . . . 93.63 108.29 169.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . . . -55.7 -41.47 73.83 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.543 -0.753 . . . . 79.42 111.315 -174.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -56.22 -42.37 77.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.381 -0.528 . . . . 135.45 111.41 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' OE2' ' OG ' ' A' ' 36' ' ' SER . 86.1 tt0 -68.91 -38.99 79.91 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.435 -0.506 . . . . 92.59 111.426 -176.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.55 -46.13 97.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.223 0.535 . . . . 68.34 110.146 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . . . -60.36 -37.34 80.39 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 122.064 -0.397 . . . . 75.32 111.774 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.23 -43.71 81.29 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.68 -0.808 . . . . 115.37 111.338 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.2 -42.65 97.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 120.87 0.367 . . . . 66.29 110.657 -176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLU . 20.3 mt -54.76 -42.81 63.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.783 -0.767 . . . . 80.18 109.922 176.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -58.38 -50.11 74.85 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 122.016 -0.428 . . . . 97.37 111.822 -174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' OE2' ' NE ' ' A' ' 26' ' ' ARG . 71.5 mt-10 -60.16 -30.0 69.04 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.683 -0.807 . . . . 108.63 111.154 176.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.0 mt -79.82 -35.54 16.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.651 0.262 . . . . 87.45 111.427 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ILE . 78.1 mt-10 -56.24 -32.67 64.68 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.858 -0.526 . . . . 145.04 112.294 -176.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -59.7 -46.15 89.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.807 -0.357 . . . . 144.15 111.564 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -59.54 -48.35 82.0 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.999 -0.438 . . . . 101.16 111.493 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.43 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.414 -0.515 . . . . 69.39 110.539 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -68.08 -44.41 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.906 -0.496 . . . . 116.96 112.023 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -73.7 -45.55 51.67 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.03 -0.419 . . . . 96.69 111.828 -172.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.2 mtm -101.19 0.11 36.98 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.672 0.99 . . . . 75.52 113.672 -174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.34 164.58 5.05 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.946 -1.262 . . . . 81.06 109.946 -170.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.4 -166.3 25.29 Favored Glycine 0 C--N 1.307 -1.069 0 C-N-CA 120.067 -1.063 . . . . 52.34 111.134 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . 0.53 ' OE2' ' NH2' ' A' ' 82' ' ' ARG . 85.4 tt0 -128.27 141.44 51.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.513 -0.844 . . . . 107.14 110.133 -168.91 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -131.65 141.05 49.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.113 -1.069 . . . . 63.83 108.113 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' NH2' ' OE2' ' A' ' 80' ' ' GLU . 41.4 ttm180 -140.33 133.32 29.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.656 -0.868 . . . . 100.89 108.656 -174.568 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.3 t -118.95 120.91 65.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.474 -0.936 . . . . 53.02 108.474 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.48 107.65 17.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.429 -1.323 . . . . 100.11 107.429 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . 0.81 ' NZ ' ' O ' ' A' ' 102' ' ' HOH . 28.7 mmmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.489 -0.323 . . . . 97.73 111.019 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 121.423 0.63 . . . . 78.88 112.21 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -96.61 143.77 27.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.539 -0.755 . . . . 112.55 110.379 -175.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -129.7 155.47 45.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.976 0.893 . . . . 68.73 110.519 -176.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -130.42 127.03 38.48 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 114.542 -1.208 . . . . 56.07 108.562 174.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -118.31 128.6 54.82 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.603 -1.258 . . . . 82.37 107.603 168.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -10' ' ' GLY . . . . . . . . . . . . . . . -130.21 149.66 18.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.575 -1.01 . . . . 41.86 110.575 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -9' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -145.75 135.76 23.65 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.318 -1.364 . . . . 99.99 107.318 176.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -8' ' ' SER . . . . . . . . . . . . . 57.1 p -143.18 153.3 42.7 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.665 0.745 . . . . 45.05 110.396 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -7' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -137.15 131.88 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.791 -1.095 . . . . 101.22 109.11 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -6' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -128.69 132.86 48.05 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.674 -0.862 . . . . 47.5 108.674 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -5' ' ' LEU . . . . . . . . . . . . . 49.0 tp -120.3 126.11 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 73.7 108.863 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -4' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -116.02 122.28 44.73 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.328 -0.99 . . . . 79.99 108.328 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -3' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -153.24 176.21 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.212 -0.662 . . . . 63.73 109.212 -176.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -2' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -132.03 157.86 43.03 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.929 0.891 . . . . 112.66 109.308 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 117.14 -175.95 15.95 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-O 122.023 0.791 . . . . 73.12 111.925 175.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 85.4 p -82.1 147.54 29.03 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.569 0.7 . . . . 94.54 110.184 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 4.4 t -142.79 133.93 25.89 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.526 -0.761 . . . . 88.98 109.707 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -117.86 129.58 74.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 107.553 -1.277 . . . . 76.33 107.553 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -113.4 133.65 55.06 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.422 -0.585 . . . . 106.71 109.422 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 56.2 mt -122.62 129.41 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 107.328 -1.36 . . . . 72.36 107.328 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -121.32 137.42 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.012 -0.736 . . . . 118.82 109.012 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 14.0 pt -129.64 145.75 35.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.669 0.747 . . . . 62.43 109.361 169.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -134.04 133.28 41.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.099 -0.955 . . . . 91.69 108.524 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -148.14 164.59 33.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.58 0.705 . . . . 68.55 109.652 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . 0.726 ' O ' ' O ' ' B' ' 102' ' ' HOH . 27.5 m -116.55 123.96 48.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.03 -0.986 . . . . 79.61 108.777 173.446 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -143.77 121.69 12.03 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.121 -1.066 . . . . 101.41 108.121 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 75.1 mmm -77.41 -3.34 39.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.155 -0.618 . . . . 138.11 112.571 174.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . . . -80.75 81.97 6.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.331 1.062 . . . . 99.22 108.211 175.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -63.09 -51.85 64.99 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.092 -0.958 . . . . 116.6 111.36 -172.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . . . -72.31 -34.15 67.89 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.238 0.458 . . . . 115.61 112.238 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -63.34 -50.5 69.72 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.856 -0.337 . . . . 117.74 111.286 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.36 -36.58 70.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 120.862 0.363 . . . . 91.77 110.55 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -56.93 -45.48 82.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.981 -0.449 . . . . 94.36 111.224 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . . . -66.06 -35.35 80.28 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.921 -0.712 . . . . 100.85 111.376 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -69.57 -35.13 75.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.312 -0.555 . . . . 127.68 111.15 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -73.11 -41.22 64.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.263 -0.575 . . . . 72.44 111.357 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.81 -30.99 71.71 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.156 -0.617 . . . . 102.6 111.554 178.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -75.17 -39.01 60.64 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.534 -0.466 . . . . 109.44 111.545 174.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -64.56 -41.92 95.99 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.755 -0.378 . . . . 69.1 111.251 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.99 -40.44 76.56 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.344 -0.542 . . . . 80.9 110.942 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.93 -35.82 81.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.476 -0.49 . . . . 125.44 110.871 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -66.09 -39.01 89.66 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.648 -0.421 . . . . 115.28 111.153 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.76 -36.77 78.75 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.435 -0.506 . . . . 68.84 111.588 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.29 -39.24 92.29 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.942 -0.703 . . . . 88.78 111.219 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.78 -45.48 89.56 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.291 -0.563 . . . . 132.53 110.874 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.59 -34.05 73.64 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.664 -0.414 . . . . 88.36 111.406 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -67.02 -38.06 85.25 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.318 -0.553 . . . . 71.05 111.225 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.23 -40.43 94.04 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.447 -0.501 . . . . 85.95 111.464 -177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -77.06 -21.76 53.93 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.174 0.805 . . . . 121.69 113.174 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.6 p -114.17 -7.69 13.0 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 114.045 1.128 . . . . 96.13 114.045 -172.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.89 1.02 22.87 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-O 119.135 -0.814 . . . . 91.86 114.895 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 78.4 p -81.86 175.14 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.318 1.059 . . . . 82.8 109.178 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . 0.613 ' OE2' ' NH2' ' B' ' 56' ' ' ARG . 52.9 tt0 -113.77 133.77 55.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.687 -0.633 . . . . 107.71 109.808 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 84.6 mt -126.64 130.82 71.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.368 -0.975 . . . . 67.42 108.368 -175.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -120.96 132.86 55.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.39 -0.967 . . . . 85.92 108.39 172.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 tt -124.41 130.65 73.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 N-CA-C 109.002 -0.74 . . . . 38.66 109.002 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -117.88 133.38 55.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.048 -1.093 . . . . 80.55 108.048 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 91.9 mt -125.84 129.28 72.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 107.57 -1.27 . . . . 39.74 107.57 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -124.77 131.15 53.48 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.841 -0.8 . . . . 80.45 108.841 173.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -127.23 127.23 44.09 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.268 -1.012 . . . . 64.35 108.268 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -137.78 98.54 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.61 -1.256 . . . . 96.71 107.61 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 42.39 62.43 1.7 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.435 1.112 . . . . 85.2 112.072 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.22 -24.98 22.54 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 114.686 -1.143 . . . . 85.19 115.087 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -83.9 125.93 32.49 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.343 1.072 . . . . 107.66 109.447 174.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.04 131.26 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.851 -1.166 . . . . 44.55 107.851 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -125.89 129.17 48.8 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.2 -1.037 . . . . 94.66 108.2 175.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.73 133.37 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.455 -0.943 . . . . 40.81 108.455 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -125.98 126.08 43.74 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.975 -0.75 . . . . 88.44 108.975 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 46.8 t -116.18 126.61 73.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 108.294 -1.002 . . . . 47.63 108.294 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -111.95 132.4 54.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.093 -0.706 . . . . 103.54 109.093 174.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.56 121.7 64.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 107.903 -1.147 . . . . 70.94 107.903 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . 0.613 ' NH2' ' OE2' ' B' ' 37' ' ' GLU . 20.5 mtm105 -112.12 147.81 35.31 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.413 0.685 . . . . 93.14 110.858 178.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 54.5 48.93 19.4 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.952 0.882 . . . . 108.88 111.105 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.272 -0.876 . . . . 109.98 111.005 -174.833 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.821 0.343 . . . . 108.94 110.667 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 -34.1 11.94 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.624 0.601 . . . . 122.64 112.624 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.53 -48.14 88.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.09 0.472 . . . . 103.01 110.267 175.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . . . -61.19 -35.96 78.57 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.378 -0.529 . . . . 114.56 110.818 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' B' ' 103' ' ' HOH . 50.7 tt0 -67.9 -44.54 76.7 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.542 -0.463 . . . . 113.27 111.499 179.179 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.69 -44.29 98.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.748 -0.381 . . . . 84.09 110.5 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 21.1 mt -56.05 -45.65 80.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.042 0.448 . . . . 85.94 110.381 177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . . . -61.79 -48.59 79.96 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.943 0.402 . . . . 103.39 111.073 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.88 -30.44 69.01 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.631 0.234 . . . . 126.66 111.631 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mt -78.81 -38.98 21.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.742 0.306 . . . . 87.42 110.781 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -60.4 -36.24 77.64 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.438 -0.505 . . . . 120.18 111.28 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . . . -59.75 -43.55 94.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.662 -0.415 . . . . 81.52 110.555 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.1 -50.53 73.16 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.118 0.485 . . . . 102.05 111.098 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.59 -41.96 89.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.403 . . . . 50.42 110.378 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . . . -64.04 -41.03 97.53 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.007 -0.433 . . . . 67.02 111.496 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . . . -71.68 -44.62 63.92 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.064 -0.654 . . . . 68.71 111.375 -172.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 46.2 mtm -100.72 -1.62 34.63 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.154 0.798 . . . . 101.07 113.154 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.59 164.58 6.51 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 108.556 -1.818 . . . . 55.35 108.556 -167.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.99 -166.31 25.19 Favored Glycine 0 N--CA 1.438 -1.187 0 N-CA-C 110.792 -0.923 . . . . 48.3 110.792 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLU . . . . . 0.94 ' OE1' ' O ' ' B' ' 101' ' ' HOH . 6.6 tm-20 -130.11 142.52 50.59 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.498 -0.851 . . . . 87.0 110.191 -170.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.1 144.03 44.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.628 -0.715 . . . . 65.49 109.793 176.027 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -138.56 133.54 32.69 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.942 -0.762 . . . . 75.58 108.942 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.23 122.08 68.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.963 -1.495 . . . . 63.85 106.963 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -112.69 103.91 11.95 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 107.464 -1.309 . . . . 121.01 107.464 174.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.268 0.556 . . . . 111.92 111.251 -178.239 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.853 ' O ' ' NE ' ' A' ' 56' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.81 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.589 ' O ' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . 0.509 ' O ' ' ND2' ' A' ' 57' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.94 ' O ' ' OE1' ' B' ' 80' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.726 ' O ' ' O ' ' B' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . 0.498 ' O ' ' OE1' ' B' ' 65' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.068 0 N-CA-C 110.093 -0.336 . . . . 90.15 110.093 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -97.27 140.6 31.51 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.94 0.496 . . . . 131.02 110.258 -174.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -130.37 153.22 48.94 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.765 0.793 . . . . 73.17 111.011 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -133.77 128.36 34.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.564 -1.198 . . . . 75.92 109.065 174.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -117.5 128.32 54.86 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.877 -1.157 . . . . 84.74 107.877 167.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -10' ' ' GLY . . . . . . . . . . . . . . . -129.44 148.68 18.39 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.65 -0.98 . . . . 46.51 110.65 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -9' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -146.83 135.35 21.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.207 -1.405 . . . . 83.04 107.207 177.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 58.3 p -144.14 151.79 40.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.371 0.605 . . . . 45.12 109.901 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -7' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -137.8 131.71 31.58 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.977 -1.011 . . . . 93.42 108.48 173.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -6' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -126.42 133.6 51.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.86 -0.793 . . . . 44.68 108.86 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -5' ' ' LEU . . . . . 0.489 ' HG ' ' HD1' ' A' ' -3' ' ' PHE . 48.1 tp -121.24 125.8 48.01 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.678 -0.86 . . . . 67.33 108.678 -178.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -4' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -118.77 122.37 42.27 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.54 -0.911 . . . . 64.0 108.54 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . 0.489 ' HD1' ' HG ' ' A' ' -5' ' ' LEU . 53.4 p90 -152.77 175.76 12.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.799 0.809 . . . . 62.36 109.303 -174.892 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -127.79 154.19 45.7 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.07 -1.085 . . . . 106.06 108.07 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 115.81 -176.7 16.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-O 122.431 1.017 . . . . 67.17 112.613 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.3 p -81.07 148.88 29.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.173 -1.014 . . . . 84.36 110.889 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 t -141.94 134.49 28.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.012 . . . . 63.8 108.266 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.99 130.31 72.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.201 -1.407 . . . . 50.06 107.201 171.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -115.87 134.52 54.91 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.171 -0.677 . . . . 105.06 109.171 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.9 mt -125.47 129.63 72.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 107.291 -1.374 . . . . 57.6 107.291 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . 0.472 ' HG3' ' HG2' ' A' ' 52' ' ' GLU . 5.5 tt0 -125.2 138.78 54.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 99.59 108.945 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.47 HG21 HG23 ' A' ' 70' ' ' ILE . 11.5 pt -127.92 145.59 34.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 121.72 0.771 . . . . 59.58 109.994 169.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -132.39 131.27 41.66 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 107.249 -1.389 . . . . 94.17 107.249 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -151.18 164.83 35.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 122.048 0.928 . . . . 51.6 110.098 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.0 p -114.41 133.88 55.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.147 -1.427 . . . . 68.26 107.147 172.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -132.49 160.76 35.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.89 0.852 . . . . 72.84 110.819 -176.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . . . -129.8 28.6 5.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.376 -1.284 . . . . 74.95 110.334 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -132.53 77.34 1.74 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 104.815 -2.291 . . . . 98.83 104.815 169.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.82 -49.28 73.47 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.948 -0.569 . . . . 88.9 111.775 -170.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -70.43 -35.14 73.21 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.368 -1.333 . . . . 98.06 111.439 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -62.1 -50.99 69.74 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.545 -0.462 . . . . 129.08 110.579 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.1 -37.44 73.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.764 0.316 . . . . 58.67 110.801 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -58.76 -47.49 84.5 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.821 -0.752 . . . . 80.08 110.743 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.25 -30.59 69.67 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.505 -0.478 . . . . 110.63 111.976 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.76 -43.85 78.86 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.363 -0.935 . . . . 79.99 110.642 174.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 83.86 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.726 -0.39 . . . . 58.12 111.31 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.39 -30.71 71.14 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.876 -0.729 . . . . 87.06 111.459 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -73.99 -40.27 63.08 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.279 -0.568 . . . . 95.45 111.064 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.72 -43.62 92.82 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 121.063 -0.255 . . . . 69.02 110.917 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.58 -39.59 77.13 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 120.458 -0.497 . . . . 78.32 111.306 173.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.38 -37.78 83.69 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.251 -0.58 . . . . 104.38 111.458 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.74 -37.09 81.69 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.272 -0.571 . . . . 119.01 111.634 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.42 -36.15 82.1 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.502 -0.879 . . . . 55.82 110.597 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -64.35 -39.79 94.59 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.458 -0.497 . . . . 91.29 110.917 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.78 -47.98 78.74 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.982 0.42 . . . . 100.38 110.777 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.29 -36.7 82.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.97 -0.292 . . . . 70.24 111.291 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HB2' HD12 ' A' ' 38' ' ' ILE . 14.6 tm-20 -67.31 -37.04 82.7 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.02 -0.672 . . . . 58.64 111.258 176.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.54 -45.65 86.23 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.22 -0.592 . . . . 101.67 111.276 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -83.19 5.16 23.78 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.893 0.701 . . . . 90.94 112.893 -175.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 p -126.84 164.06 22.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.573 0.702 . . . . 74.19 109.879 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.77 2.4 83.32 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.323 -0.853 . . . . 69.7 113.929 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -84.44 168.96 15.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 122.471 1.129 . . . . 59.26 111.664 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -117.18 135.57 53.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.235 -1.348 . . . . 118.23 107.757 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 31' ' ' GLU . 85.1 mt -124.74 130.5 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.437 -0.579 . . . . 46.06 109.437 -175.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -119.09 132.83 56.05 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.328 -0.99 . . . . 81.66 108.328 173.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 tt -124.26 131.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 109.263 -0.643 . . . . 38.73 109.263 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -119.03 132.61 56.06 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.68 -0.859 . . . . 98.58 108.68 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -127.35 129.28 70.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.109 -0.7 . . . . 42.12 109.109 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -126.27 131.36 51.92 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.774 -0.454 . . . . 87.39 109.774 174.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -127.19 126.73 43.33 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.985 -0.746 . . . . 68.1 108.985 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 118' ' ' HOH . 76.9 ttt-85 -135.1 99.18 4.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.669 -1.604 . . . . 94.37 106.669 176.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 42.08 59.13 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.168 0.987 . . . . 83.71 111.777 173.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -22.76 33.26 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 115.958 1.143 . . . . 59.18 115.958 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -84.77 125.45 32.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.682 1.241 . . . . 81.79 108.893 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.2 t -124.07 130.83 73.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.769 -0.826 . . . . 35.6 108.769 -173.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -124.05 130.45 52.59 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 107.925 -1.139 . . . . 79.17 107.925 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' HB ' HG13 ' A' ' 6' ' ' ILE . 62.1 t -124.04 133.43 69.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 107.929 -1.137 . . . . 44.6 107.929 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HG2' ' HG3' ' A' ' 5' ' ' GLU . 35.2 mt-10 -123.96 124.26 42.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.159 -1.052 . . . . 90.71 108.159 176.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -117.6 125.0 73.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 107.585 -1.265 . . . . 37.36 107.585 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -113.92 132.48 55.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.735 -0.839 . . . . 75.18 108.735 173.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.416 HG22 ' HB3' ' A' ' 58' ' ' SER . 4.3 mp -122.58 122.79 66.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.347 -1.353 . . . . 54.41 107.347 -178.891 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' HD3' ' CE2' ' A' ' -3' ' ' PHE . 21.1 mtm105 -108.55 146.4 33.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.508 -0.553 . . . . 104.34 109.508 178.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 106' ' ' HOH . 29.8 m-20 56.0 47.1 20.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.26 -0.882 . . . . 105.26 109.795 -174.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . 0.416 ' HB3' HG22 ' A' ' 55' ' ' ILE . 33.0 p -86.38 157.76 19.78 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 122.141 0.972 . . . . 84.2 111.612 -172.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -119.23 154.95 32.6 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.491 -1.231 . . . . 93.63 108.29 169.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . . . -55.7 -41.47 73.83 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.543 -0.753 . . . . 79.42 111.315 -174.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -56.22 -42.37 77.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.381 -0.528 . . . . 135.45 111.41 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -68.91 -38.99 79.91 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.435 -0.506 . . . . 92.59 111.426 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.55 -46.13 97.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.223 0.535 . . . . 68.34 110.146 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . . . -60.36 -37.34 80.39 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 122.064 -0.397 . . . . 75.32 111.774 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.23 -43.71 81.29 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.68 -0.808 . . . . 115.37 111.338 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.2 -42.65 97.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 120.87 0.367 . . . . 66.29 110.657 -176.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 20.3 mt -54.76 -42.81 63.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.783 -0.767 . . . . 80.18 109.922 176.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tm-20 -58.38 -50.11 74.85 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 122.016 -0.428 . . . . 97.37 111.822 -174.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.16 -30.0 69.04 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.683 -0.807 . . . . 108.63 111.154 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . 0.47 HG23 HG21 ' A' ' 6' ' ' ILE . 3.0 mt -79.82 -35.54 16.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.651 0.262 . . . . 87.45 111.427 178.602 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 78.1 mt-10 -56.24 -32.67 64.68 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.858 -0.526 . . . . 145.04 112.294 -176.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -59.7 -46.15 89.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.807 -0.357 . . . . 144.15 111.564 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -59.54 -48.35 82.0 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.999 -0.438 . . . . 101.16 111.493 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.43 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.414 -0.515 . . . . 69.39 110.539 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -68.08 -44.41 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.906 -0.496 . . . . 116.96 112.023 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -73.7 -45.55 51.67 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.03 -0.419 . . . . 96.69 111.828 -172.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.2 mtm -101.19 0.11 36.98 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.672 0.99 . . . . 75.52 113.672 -174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.34 164.58 5.05 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.946 -1.262 . . . . 81.06 109.946 -170.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.4 -166.3 25.29 Favored Glycine 0 C--N 1.307 -1.069 0 C-N-CA 120.067 -1.063 . . . . 52.34 111.134 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . 0.521 ' OE2' ' NH2' ' A' ' 82' ' ' ARG . 85.4 tt0 -128.27 141.44 51.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.513 -0.844 . . . . 107.14 110.133 -168.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -131.65 141.05 49.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.113 -1.069 . . . . 63.83 108.113 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . 0.521 ' NH2' ' OE2' ' A' ' 80' ' ' GLU . 41.4 ttm180 -140.33 133.32 29.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.656 -0.868 . . . . 100.89 108.656 -174.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.3 t -118.95 120.91 65.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.474 -0.936 . . . . 53.02 108.474 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.48 107.65 17.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.429 -1.323 . . . . 100.11 107.429 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . 0.81 ' NZ ' ' O ' ' A' ' 102' ' ' HOH . 28.7 mmmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.489 -0.323 . . . . 97.73 111.019 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 121.423 0.63 . . . . 78.88 112.21 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -96.61 143.77 27.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.539 -0.755 . . . . 112.55 110.379 -175.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -129.7 155.47 45.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.976 0.893 . . . . 68.73 110.519 -176.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -130.42 127.03 38.48 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 114.542 -1.208 . . . . 56.07 108.562 174.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -118.31 128.6 54.82 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.603 -1.258 . . . . 82.37 107.603 168.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -10' ' ' GLY . . . . . . . . . . . . . . . -130.21 149.66 18.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.575 -1.01 . . . . 41.86 110.575 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -9' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -145.75 135.76 23.65 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.318 -1.364 . . . . 99.99 107.318 176.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -8' ' ' SER . . . . . . . . . . . . . 57.1 p -143.18 153.3 42.7 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.665 0.745 . . . . 45.05 110.396 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -7' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -137.15 131.88 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.791 -1.095 . . . . 101.22 109.11 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -6' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -128.69 132.86 48.05 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.674 -0.862 . . . . 47.5 108.674 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -5' ' ' LEU . . . . . 0.514 ' HG ' ' HD1' ' B' ' -3' ' ' PHE . 49.0 tp -120.3 126.11 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 73.7 108.863 -179.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' -4' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -116.02 122.28 44.73 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.328 -0.99 . . . . 79.99 108.328 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -3' ' ' PHE . . . . . 0.655 ' CE2' ' HD3' ' B' ' 56' ' ' ARG . 50.0 p90 -153.24 176.21 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.212 -0.662 . . . . 63.73 109.212 -176.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' -2' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -132.03 157.86 43.03 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.929 0.891 . . . . 112.66 109.308 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 117.14 -175.95 15.95 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-O 122.023 0.791 . . . . 73.12 111.925 175.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 85.4 p -82.1 147.54 29.03 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.569 0.7 . . . . 94.54 110.184 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 4.4 t -142.79 133.93 25.89 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.526 -0.761 . . . . 88.98 109.707 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -117.86 129.58 74.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 107.553 -1.277 . . . . 76.33 107.553 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ARG . . . . . 0.406 HH21 ' HG3' ' B' ' 84' ' ' GLU . 61.9 ttp85 -113.4 133.65 55.06 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.422 -0.585 . . . . 106.71 109.422 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 56.2 mt -122.62 129.41 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 107.328 -1.36 . . . . 72.36 107.328 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -121.32 137.42 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.012 -0.736 . . . . 118.82 109.012 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . 0.46 HG13 ' HB ' ' B' ' 51' ' ' VAL . 14.0 pt -129.64 145.75 35.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.669 0.747 . . . . 62.43 109.361 169.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -134.04 133.28 41.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.099 -0.955 . . . . 91.69 108.524 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -148.14 164.59 33.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.58 0.705 . . . . 68.55 109.652 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . 0.726 ' O ' ' O ' ' B' ' 102' ' ' HOH . 27.5 m -116.55 123.96 48.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.03 -0.986 . . . . 79.61 108.777 173.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -143.77 121.69 12.03 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.121 -1.066 . . . . 101.41 108.121 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 75.1 mmm -77.41 -3.34 39.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.155 -0.618 . . . . 138.11 112.571 174.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . . . -80.75 81.97 6.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.331 1.062 . . . . 99.22 108.211 175.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -63.09 -51.85 64.99 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.092 -0.958 . . . . 116.6 111.36 -172.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . . . -72.31 -34.15 67.89 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.238 0.458 . . . . 115.61 112.238 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -63.34 -50.5 69.72 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.856 -0.337 . . . . 117.74 111.286 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.36 -36.58 70.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 120.862 0.363 . . . . 91.77 110.55 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -56.93 -45.48 82.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.981 -0.449 . . . . 94.36 111.224 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . . . -66.06 -35.35 80.28 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.921 -0.712 . . . . 100.85 111.376 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -69.57 -35.13 75.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.312 -0.555 . . . . 127.68 111.15 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -73.11 -41.22 64.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.263 -0.575 . . . . 72.44 111.357 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.81 -30.99 71.71 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.156 -0.617 . . . . 102.6 111.554 178.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -75.17 -39.01 60.64 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.534 -0.466 . . . . 109.44 111.545 174.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -64.56 -41.92 95.99 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.755 -0.378 . . . . 69.1 111.251 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.99 -40.44 76.56 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.344 -0.542 . . . . 80.9 110.942 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.93 -35.82 81.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.476 -0.49 . . . . 125.44 110.871 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -66.09 -39.01 89.66 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.648 -0.421 . . . . 115.28 111.153 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.76 -36.77 78.75 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.435 -0.506 . . . . 68.84 111.588 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.29 -39.24 92.29 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.942 -0.703 . . . . 88.78 111.219 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.78 -45.48 89.56 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.291 -0.563 . . . . 132.53 110.874 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.59 -34.05 73.64 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.664 -0.414 . . . . 88.36 111.406 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 36' ' ' SER . 14.8 tm-20 -67.02 -38.06 85.25 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.318 -0.553 . . . . 71.05 111.225 177.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.23 -40.43 94.04 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.447 -0.501 . . . . 85.95 111.464 -177.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -77.06 -21.76 53.93 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.174 0.805 . . . . 121.69 113.174 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.6 p -114.17 -7.69 13.0 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 114.045 1.128 . . . . 96.13 114.045 -172.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.89 1.02 22.87 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-O 119.135 -0.814 . . . . 91.86 114.895 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' SER . . . . . 0.565 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 78.4 p -81.86 175.14 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.318 1.059 . . . . 82.8 109.178 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . 0.613 ' OE2' ' NH2' ' B' ' 56' ' ' ARG . 52.9 tt0 -113.77 133.77 55.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.687 -0.633 . . . . 107.71 109.808 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 84.6 mt -126.64 130.82 71.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.368 -0.975 . . . . 67.42 108.368 -175.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -120.96 132.86 55.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.39 -0.967 . . . . 85.92 108.39 172.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 tt -124.41 130.65 73.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 N-CA-C 109.002 -0.74 . . . . 38.66 109.002 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -117.88 133.38 55.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.048 -1.093 . . . . 80.55 108.048 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 91.9 mt -125.84 129.28 72.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 107.57 -1.27 . . . . 39.74 107.57 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -124.77 131.15 53.48 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.841 -0.8 . . . . 80.45 108.841 173.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -127.23 127.23 44.09 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.268 -1.012 . . . . 64.35 108.268 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -137.78 98.54 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.61 -1.256 . . . . 96.71 107.61 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 42.39 62.43 1.7 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.435 1.112 . . . . 85.2 112.072 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.22 -24.98 22.54 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 114.686 -1.143 . . . . 85.19 115.087 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -83.9 125.93 32.49 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.343 1.072 . . . . 107.66 109.447 174.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.04 131.26 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.851 -1.166 . . . . 44.55 107.851 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -125.89 129.17 48.8 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.2 -1.037 . . . . 94.66 108.2 175.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . 0.46 ' HB ' HG13 ' B' ' 6' ' ' ILE . 47.4 t -124.73 133.37 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.455 -0.943 . . . . 40.81 108.455 -177.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -125.98 126.08 43.74 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.975 -0.75 . . . . 88.44 108.975 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 46.8 t -116.18 126.61 73.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 108.294 -1.002 . . . . 47.63 108.294 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -111.95 132.4 54.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.093 -0.706 . . . . 103.54 109.093 174.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.56 121.7 64.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 107.903 -1.147 . . . . 70.94 107.903 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . 0.655 ' HD3' ' CE2' ' B' ' -3' ' ' PHE . 20.5 mtm105 -112.12 147.81 35.31 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.413 0.685 . . . . 93.14 110.858 178.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 54.5 48.93 19.4 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.952 0.882 . . . . 108.88 111.105 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.272 -0.876 . . . . 109.98 111.005 -174.833 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.821 0.343 . . . . 108.94 110.667 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 -34.1 11.94 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.624 0.601 . . . . 122.64 112.624 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 67' ' ' ILE . 73.6 t -59.53 -48.14 88.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.09 0.472 . . . . 103.01 110.267 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . . . -61.19 -35.96 78.57 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.378 -0.529 . . . . 114.56 110.818 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' B' ' 103' ' ' HOH . 50.7 tt0 -67.9 -44.54 76.7 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.542 -0.463 . . . . 113.27 111.499 179.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.69 -44.29 98.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.748 -0.381 . . . . 84.09 110.5 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 63' ' ' VAL . 21.1 mt -56.05 -45.65 80.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.042 0.448 . . . . 85.94 110.381 177.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . . . -61.79 -48.59 79.96 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.943 0.402 . . . . 103.39 111.073 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.88 -30.44 69.01 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.631 0.234 . . . . 126.66 111.631 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mt -78.81 -38.98 21.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.742 0.306 . . . . 87.42 110.781 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -60.4 -36.24 77.64 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.438 -0.505 . . . . 120.18 111.28 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . . . -59.75 -43.55 94.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.662 -0.415 . . . . 81.52 110.555 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.1 -50.53 73.16 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.118 0.485 . . . . 102.05 111.098 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.59 -41.96 89.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.403 . . . . 50.42 110.378 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . . . -64.04 -41.03 97.53 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.007 -0.433 . . . . 67.02 111.496 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . . . -71.68 -44.62 63.92 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.064 -0.654 . . . . 68.71 111.375 -172.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 46.2 mtm -100.72 -1.62 34.63 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.154 0.798 . . . . 101.07 113.154 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.59 164.58 6.51 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 108.556 -1.818 . . . . 55.35 108.556 -167.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.99 -166.31 25.19 Favored Glycine 0 N--CA 1.438 -1.187 0 N-CA-C 110.792 -0.923 . . . . 48.3 110.792 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLU . . . . . 0.94 ' OE1' ' O ' ' B' ' 101' ' ' HOH . 6.6 tm-20 -130.11 142.52 50.59 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.498 -0.851 . . . . 87.0 110.191 -170.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.1 144.03 44.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.628 -0.715 . . . . 65.49 109.793 176.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -138.56 133.54 32.69 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.942 -0.762 . . . . 75.58 108.942 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.23 122.08 68.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.963 -1.495 . . . . 63.85 106.963 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . 0.406 ' HG3' HH21 ' B' ' 3' ' ' ARG . 70.8 mm-40 -112.69 103.91 11.95 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 107.464 -1.309 . . . . 121.01 107.464 174.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.268 0.556 . . . . 111.92 111.251 -178.239 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.81 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . 0.509 ' O ' ' ND2' ' A' ' 57' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . 0.525 ' O ' ' HG3' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.94 ' O ' ' OE1' ' B' ' 80' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.726 ' O ' ' O ' ' B' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . 0.498 ' O ' ' OE1' ' B' ' 65' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.068 0 N-CA-C 110.093 -0.336 . . . . 90.15 110.093 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -14' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -97.27 140.6 31.51 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.94 0.496 . . . . 131.02 110.258 -174.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -13' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -130.37 153.22 48.94 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.765 0.793 . . . . 73.17 111.011 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -133.77 128.36 34.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.564 -1.198 . . . . 75.92 109.065 174.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -117.5 128.32 54.86 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.877 -1.157 . . . . 84.74 107.877 167.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -10' ' ' GLY . . . . . . . . . . . . . . . -129.44 148.68 18.39 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.65 -0.98 . . . . 46.51 110.65 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -9' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -146.83 135.35 21.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.207 -1.405 . . . . 83.04 107.207 177.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 58.3 p -144.14 151.79 40.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.371 0.605 . . . . 45.12 109.901 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -7' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -137.8 131.71 31.58 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.977 -1.011 . . . . 93.42 108.48 173.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -6' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -126.42 133.6 51.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.86 -0.793 . . . . 44.68 108.86 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' LEU . . . . . 0.489 ' HG ' ' HD1' ' A' ' -3' ' ' PHE . 48.1 tp -121.24 125.8 48.01 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.678 -0.86 . . . . 67.33 108.678 -178.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -118.77 122.37 42.27 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.54 -0.911 . . . . 64.0 108.54 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.489 ' HD1' ' HG ' ' A' ' -5' ' ' LEU . 53.4 p90 -152.77 175.76 12.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.799 0.809 . . . . 62.36 109.303 -174.892 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -127.79 154.19 45.7 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.07 -1.085 . . . . 106.06 108.07 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 115.81 -176.7 16.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-O 122.431 1.017 . . . . 67.17 112.613 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.3 p -81.07 148.88 29.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.173 -1.014 . . . . 84.36 110.889 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 t -141.94 134.49 28.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.012 . . . . 63.8 108.266 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.99 130.31 72.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.201 -1.407 . . . . 50.06 107.201 171.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -115.87 134.52 54.91 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.171 -0.677 . . . . 105.06 109.171 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.9 mt -125.47 129.63 72.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 107.291 -1.374 . . . . 57.6 107.291 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.472 ' HG3' ' HG2' ' A' ' 52' ' ' GLU . 5.5 tt0 -125.2 138.78 54.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 99.59 108.945 179.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.47 HG21 HG23 ' A' ' 70' ' ' ILE . 11.5 pt -127.92 145.59 34.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 121.72 0.771 . . . . 59.58 109.994 169.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -132.39 131.27 41.66 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 107.249 -1.389 . . . . 94.17 107.249 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -151.18 164.83 35.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 122.048 0.928 . . . . 51.6 110.098 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.0 p -114.41 133.88 55.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.147 -1.427 . . . . 68.26 107.147 172.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -132.49 160.76 35.54 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.89 0.852 . . . . 72.84 110.819 -176.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . . . -129.8 28.6 5.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.376 -1.284 . . . . 74.95 110.334 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -132.53 77.34 1.74 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 104.815 -2.291 . . . . 98.83 104.815 169.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.82 -49.28 73.47 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.948 -0.569 . . . . 88.9 111.775 -170.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -70.43 -35.14 73.21 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.368 -1.333 . . . . 98.06 111.439 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -62.1 -50.99 69.74 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.545 -0.462 . . . . 129.08 110.579 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.1 -37.44 73.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.764 0.316 . . . . 58.67 110.801 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -58.76 -47.49 84.5 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.821 -0.752 . . . . 80.08 110.743 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.25 -30.59 69.67 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.505 -0.478 . . . . 110.63 111.976 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.76 -43.85 78.86 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.363 -0.935 . . . . 79.99 110.642 174.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 83.86 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.726 -0.39 . . . . 58.12 111.31 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.39 -30.71 71.14 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.876 -0.729 . . . . 87.06 111.459 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -73.99 -40.27 63.08 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.279 -0.568 . . . . 95.45 111.064 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.72 -43.62 92.82 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 121.063 -0.255 . . . . 69.02 110.917 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.58 -39.59 77.13 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 120.458 -0.497 . . . . 78.32 111.306 173.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.38 -37.78 83.69 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.251 -0.58 . . . . 104.38 111.458 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -67.74 -37.09 81.69 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.272 -0.571 . . . . 119.01 111.634 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.42 -36.15 82.1 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.502 -0.879 . . . . 55.82 110.597 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -64.35 -39.79 94.59 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.458 -0.497 . . . . 91.29 110.917 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.78 -47.98 78.74 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.982 0.42 . . . . 100.38 110.777 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.29 -36.7 82.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.97 -0.292 . . . . 70.24 111.291 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HB2' HD12 ' A' ' 38' ' ' ILE . 14.6 tm-20 -67.31 -37.04 82.7 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.02 -0.672 . . . . 58.64 111.258 176.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.54 -45.65 86.23 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.22 -0.592 . . . . 101.67 111.276 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -83.19 5.16 23.78 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.893 0.701 . . . . 90.94 112.893 -175.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 p -126.84 164.06 22.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.573 0.702 . . . . 74.19 109.879 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.77 2.4 83.32 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.323 -0.853 . . . . 69.7 113.929 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -84.44 168.96 15.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 122.471 1.129 . . . . 59.26 111.664 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -117.18 135.57 53.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.235 -1.348 . . . . 118.23 107.757 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 31' ' ' GLU . 85.1 mt -124.74 130.5 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.437 -0.579 . . . . 46.06 109.437 -175.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -119.09 132.83 56.05 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.328 -0.99 . . . . 81.66 108.328 173.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 tt -124.26 131.94 72.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 109.263 -0.643 . . . . 38.73 109.263 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -119.03 132.61 56.06 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.68 -0.859 . . . . 98.58 108.68 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -127.35 129.28 70.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.109 -0.7 . . . . 42.12 109.109 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -126.27 131.36 51.92 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.774 -0.454 . . . . 87.39 109.774 174.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -127.19 126.73 43.33 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.985 -0.746 . . . . 68.1 108.985 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 118' ' ' HOH . 76.9 ttt-85 -135.1 99.18 4.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.669 -1.604 . . . . 94.37 106.669 176.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 42.08 59.13 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.168 0.987 . . . . 83.71 111.777 173.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -22.76 33.26 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 115.958 1.143 . . . . 59.18 115.958 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -84.77 125.45 32.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.682 1.241 . . . . 81.79 108.893 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.2 t -124.07 130.83 73.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.769 -0.826 . . . . 35.6 108.769 -173.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -124.05 130.45 52.59 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 107.925 -1.139 . . . . 79.17 107.925 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' HB ' HG13 ' A' ' 6' ' ' ILE . 62.1 t -124.04 133.43 69.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 107.929 -1.137 . . . . 44.6 107.929 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HG2' ' HG3' ' A' ' 5' ' ' GLU . 35.2 mt-10 -123.96 124.26 42.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.159 -1.052 . . . . 90.71 108.159 176.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -117.6 125.0 73.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 107.585 -1.265 . . . . 37.36 107.585 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -113.92 132.48 55.92 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.735 -0.839 . . . . 75.18 108.735 173.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.416 HG22 ' HB3' ' A' ' 58' ' ' SER . 4.3 mp -122.58 122.79 66.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 107.347 -1.353 . . . . 54.41 107.347 -178.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' HD3' ' CE2' ' A' ' -3' ' ' PHE . 21.1 mtm105 -108.55 146.4 33.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.508 -0.553 . . . . 104.34 109.508 178.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 106' ' ' HOH . 29.8 m-20 56.0 47.1 20.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.26 -0.882 . . . . 105.26 109.795 -174.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . 0.416 ' HB3' HG22 ' A' ' 55' ' ' ILE . 33.0 p -86.38 157.76 19.78 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 122.141 0.972 . . . . 84.2 111.612 -172.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -119.23 154.95 32.6 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.491 -1.231 . . . . 93.63 108.29 169.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . . . -55.7 -41.47 73.83 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.543 -0.753 . . . . 79.42 111.315 -174.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -56.22 -42.37 77.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.381 -0.528 . . . . 135.45 111.41 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -68.91 -38.99 79.91 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.435 -0.506 . . . . 92.59 111.426 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.55 -46.13 97.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.223 0.535 . . . . 68.34 110.146 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . . . -60.36 -37.34 80.39 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 122.064 -0.397 . . . . 75.32 111.774 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.23 -43.71 81.29 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.68 -0.808 . . . . 115.37 111.338 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.2 -42.65 97.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-O 120.87 0.367 . . . . 66.29 110.657 -176.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 20.3 mt -54.76 -42.81 63.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.783 -0.767 . . . . 80.18 109.922 176.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 7.2 tm-20 -58.38 -50.11 74.85 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 122.016 -0.428 . . . . 97.37 111.822 -174.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -60.16 -30.0 69.04 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.683 -0.807 . . . . 108.63 111.154 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.47 HG23 HG21 ' A' ' 6' ' ' ILE . 3.0 mt -79.82 -35.54 16.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.651 0.262 . . . . 87.45 111.427 178.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 78.1 mt-10 -56.24 -32.67 64.68 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.858 -0.526 . . . . 145.04 112.294 -176.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -59.7 -46.15 89.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.807 -0.357 . . . . 144.15 111.564 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -59.54 -48.35 82.0 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.999 -0.438 . . . . 101.16 111.493 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.43 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.414 -0.515 . . . . 69.39 110.539 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -68.08 -44.41 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.906 -0.496 . . . . 116.96 112.023 -177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -73.7 -45.55 51.67 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.03 -0.419 . . . . 96.69 111.828 -172.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 50.2 mtm -101.19 0.11 36.98 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.672 0.99 . . . . 75.52 113.672 -174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.34 164.58 5.05 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 109.946 -1.262 . . . . 81.06 109.946 -170.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.4 -166.3 25.29 Favored Glycine 0 C--N 1.307 -1.069 0 C-N-CA 120.067 -1.063 . . . . 52.34 111.134 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.521 ' OE2' ' NH2' ' A' ' 82' ' ' ARG . 85.4 tt0 -128.27 141.44 51.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.513 -0.844 . . . . 107.14 110.133 -168.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -131.65 141.05 49.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.113 -1.069 . . . . 63.83 108.113 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.521 ' NH2' ' OE2' ' A' ' 80' ' ' GLU . 41.4 ttm180 -140.33 133.32 29.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.656 -0.868 . . . . 100.89 108.656 -174.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.3 t -118.95 120.91 65.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.474 -0.936 . . . . 53.02 108.474 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.48 107.65 17.38 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.429 -1.323 . . . . 100.11 107.429 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.81 ' NZ ' ' O ' ' A' ' 102' ' ' HOH . 28.7 mmmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.489 -0.323 . . . . 97.73 111.019 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 121.423 0.63 . . . . 78.88 112.21 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -96.61 143.77 27.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.539 -0.755 . . . . 112.55 110.379 -175.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -129.7 155.47 45.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.976 0.893 . . . . 68.73 110.519 -176.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -130.42 127.03 38.48 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 114.542 -1.208 . . . . 56.07 108.562 174.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -118.31 128.6 54.82 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.603 -1.258 . . . . 82.37 107.603 168.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -10' ' ' GLY . . . . . . . . . . . . . . . -130.21 149.66 18.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.575 -1.01 . . . . 41.86 110.575 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -9' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -145.75 135.76 23.65 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 107.318 -1.364 . . . . 99.99 107.318 176.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -8' ' ' SER . . . . . . . . . . . . . 57.1 p -143.18 153.3 42.7 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.665 0.745 . . . . 45.05 110.396 177.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -7' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -137.15 131.88 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.791 -1.095 . . . . 101.22 109.11 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -6' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -128.69 132.86 48.05 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.674 -0.862 . . . . 47.5 108.674 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -5' ' ' LEU . . . . . 0.514 ' HG ' ' HD1' ' B' ' -3' ' ' PHE . 49.0 tp -120.3 126.11 49.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.863 -0.791 . . . . 73.7 108.863 -179.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' -4' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -116.02 122.28 44.73 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.328 -0.99 . . . . 79.99 108.328 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -3' ' ' PHE . . . . . 0.655 ' CE2' ' HD3' ' B' ' 56' ' ' ARG . 50.0 p90 -153.24 176.21 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.212 -0.662 . . . . 63.73 109.212 -176.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' -2' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -132.03 157.86 43.03 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.929 0.891 . . . . 112.66 109.308 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 117.14 -175.95 15.95 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-O 122.023 0.791 . . . . 73.12 111.925 175.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 85.4 p -82.1 147.54 29.03 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.569 0.7 . . . . 94.54 110.184 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 4.4 t -142.79 133.93 25.89 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.526 -0.761 . . . . 88.98 109.707 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -117.86 129.58 74.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 107.553 -1.277 . . . . 76.33 107.553 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.406 HH21 ' HG3' ' B' ' 84' ' ' GLU . 61.9 ttp85 -113.4 133.65 55.06 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.422 -0.585 . . . . 106.71 109.422 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 56.2 mt -122.62 129.41 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 107.328 -1.36 . . . . 72.36 107.328 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -121.32 137.42 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.012 -0.736 . . . . 118.82 109.012 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.46 HG13 ' HB ' ' B' ' 51' ' ' VAL . 14.0 pt -129.64 145.75 35.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-O 121.669 0.747 . . . . 62.43 109.361 169.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -134.04 133.28 41.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.099 -0.955 . . . . 91.69 108.524 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -148.14 164.59 33.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.58 0.705 . . . . 68.55 109.652 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . 0.726 ' O ' ' O ' ' B' ' 102' ' ' HOH . 27.5 m -116.55 123.96 48.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.03 -0.986 . . . . 79.61 108.777 173.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -143.77 121.69 12.03 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.121 -1.066 . . . . 101.41 108.121 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 75.1 mmm -77.41 -3.34 39.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.155 -0.618 . . . . 138.11 112.571 174.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . . . -80.75 81.97 6.87 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.331 1.062 . . . . 99.22 108.211 175.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -63.09 -51.85 64.99 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.092 -0.958 . . . . 116.6 111.36 -172.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . . . -72.31 -34.15 67.89 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.238 0.458 . . . . 115.61 112.238 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -63.34 -50.5 69.72 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.856 -0.337 . . . . 117.74 111.286 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.36 -36.58 70.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 120.862 0.363 . . . . 91.77 110.55 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -56.93 -45.48 82.69 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.981 -0.449 . . . . 94.36 111.224 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . . . -66.06 -35.35 80.28 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.921 -0.712 . . . . 100.85 111.376 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -69.57 -35.13 75.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.312 -0.555 . . . . 127.68 111.15 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -73.11 -41.22 64.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.263 -0.575 . . . . 72.44 111.357 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.81 -30.99 71.71 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.156 -0.617 . . . . 102.6 111.554 178.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -75.17 -39.01 60.64 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.534 -0.466 . . . . 109.44 111.545 174.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -64.56 -41.92 95.99 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.755 -0.378 . . . . 69.1 111.251 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.99 -40.44 76.56 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.344 -0.542 . . . . 80.9 110.942 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -65.93 -35.82 81.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.476 -0.49 . . . . 125.44 110.871 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -66.09 -39.01 89.66 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.648 -0.421 . . . . 115.28 111.153 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.76 -36.77 78.75 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.435 -0.506 . . . . 68.84 111.588 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.29 -39.24 92.29 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.942 -0.703 . . . . 88.78 111.219 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.78 -45.48 89.56 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.291 -0.563 . . . . 132.53 110.874 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 47.5 tp -60.59 -34.05 73.64 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.664 -0.414 . . . . 88.36 111.406 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 36' ' ' SER . 14.8 tm-20 -67.02 -38.06 85.25 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.318 -0.553 . . . . 71.05 111.225 177.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.23 -40.43 94.04 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.447 -0.501 . . . . 85.95 111.464 -177.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -77.06 -21.76 53.93 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.174 0.805 . . . . 121.69 113.174 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.6 p -114.17 -7.69 13.0 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 114.045 1.128 . . . . 96.13 114.045 -172.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.89 1.02 22.87 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-O 119.135 -0.814 . . . . 91.86 114.895 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' SER . . . . . 0.565 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 78.4 p -81.86 175.14 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.318 1.059 . . . . 82.8 109.178 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.613 ' OE2' ' NH2' ' B' ' 56' ' ' ARG . 52.9 tt0 -113.77 133.77 55.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.687 -0.633 . . . . 107.71 109.808 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 84.6 mt -126.64 130.82 71.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.368 -0.975 . . . . 67.42 108.368 -175.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -120.96 132.86 55.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.39 -0.967 . . . . 85.92 108.39 172.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 tt -124.41 130.65 73.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 N-CA-C 109.002 -0.74 . . . . 38.66 109.002 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -117.88 133.38 55.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.048 -1.093 . . . . 80.55 108.048 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 91.9 mt -125.84 129.28 72.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 107.57 -1.27 . . . . 39.74 107.57 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -124.77 131.15 53.48 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.841 -0.8 . . . . 80.45 108.841 173.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -127.23 127.23 44.09 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.268 -1.012 . . . . 64.35 108.268 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -137.78 98.54 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.61 -1.256 . . . . 96.71 107.61 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 42.39 62.43 1.7 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 122.435 1.112 . . . . 85.2 112.072 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.22 -24.98 22.54 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 114.686 -1.143 . . . . 85.19 115.087 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -83.9 125.93 32.49 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.343 1.072 . . . . 107.66 109.447 174.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.04 131.26 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.851 -1.166 . . . . 44.55 107.851 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -125.89 129.17 48.8 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.2 -1.037 . . . . 94.66 108.2 175.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.46 ' HB ' HG13 ' B' ' 6' ' ' ILE . 47.4 t -124.73 133.37 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.455 -0.943 . . . . 40.81 108.455 -177.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -125.98 126.08 43.74 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.975 -0.75 . . . . 88.44 108.975 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 46.8 t -116.18 126.61 73.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 108.294 -1.002 . . . . 47.63 108.294 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -111.95 132.4 54.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.093 -0.706 . . . . 103.54 109.093 174.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 4.6 mp -122.56 121.7 64.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 107.903 -1.147 . . . . 70.94 107.903 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.655 ' HD3' ' CE2' ' B' ' -3' ' ' PHE . 20.5 mtm105 -112.12 147.81 35.31 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.413 0.685 . . . . 93.14 110.858 178.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 54.5 48.93 19.4 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.952 0.882 . . . . 108.88 111.105 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.272 -0.876 . . . . 109.98 111.005 -174.833 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.821 0.343 . . . . 108.94 110.667 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 -34.1 11.94 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.624 0.601 . . . . 122.64 112.624 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 67' ' ' ILE . 73.6 t -59.53 -48.14 88.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.09 0.472 . . . . 103.01 110.267 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . . . -61.19 -35.96 78.57 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.378 -0.529 . . . . 114.56 110.818 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' B' ' 103' ' ' HOH . 50.7 tt0 -67.9 -44.54 76.7 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.542 -0.463 . . . . 113.27 111.499 179.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.69 -44.29 98.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.748 -0.381 . . . . 84.09 110.5 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 63' ' ' VAL . 21.1 mt -56.05 -45.65 80.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.042 0.448 . . . . 85.94 110.381 177.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . . . -61.79 -48.59 79.96 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.943 0.402 . . . . 103.39 111.073 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.88 -30.44 69.01 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 111.631 0.234 . . . . 126.66 111.631 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mt -78.81 -38.98 21.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.742 0.306 . . . . 87.42 110.781 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -60.4 -36.24 77.64 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.438 -0.505 . . . . 120.18 111.28 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . . . -59.75 -43.55 94.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.662 -0.415 . . . . 81.52 110.555 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.1 -50.53 73.16 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.118 0.485 . . . . 102.05 111.098 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.59 -41.96 89.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.945 0.403 . . . . 50.42 110.378 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . . . -64.04 -41.03 97.53 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.007 -0.433 . . . . 67.02 111.496 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . . . -71.68 -44.62 63.92 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.064 -0.654 . . . . 68.71 111.375 -172.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 46.2 mtm -100.72 -1.62 34.63 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.154 0.798 . . . . 101.07 113.154 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.59 164.58 6.51 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 108.556 -1.818 . . . . 55.35 108.556 -167.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.99 -166.31 25.19 Favored Glycine 0 N--CA 1.438 -1.187 0 N-CA-C 110.792 -0.923 . . . . 48.3 110.792 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLU . . . . . 0.94 ' OE1' ' O ' ' B' ' 101' ' ' HOH . 6.6 tm-20 -130.11 142.52 50.59 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.498 -0.851 . . . . 87.0 110.191 -170.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.1 144.03 44.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.628 -0.715 . . . . 65.49 109.793 176.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -138.56 133.54 32.69 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.942 -0.762 . . . . 75.58 108.942 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.23 122.08 68.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.963 -1.495 . . . . 63.85 106.963 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.406 ' HG3' HH21 ' B' ' 3' ' ' ARG . 70.8 mm-40 -112.69 103.91 11.95 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 107.464 -1.309 . . . . 121.01 107.464 174.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.268 0.556 . . . . 111.92 111.251 -178.239 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.81 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . 0.509 ' O ' ' ND2' ' A' ' 57' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . 0.525 ' O ' ' HG3' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.94 ' O ' ' OE1' ' B' ' 80' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.726 ' O ' ' O ' ' B' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . 0.498 ' O ' ' OE1' ' B' ' 65' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_