data_5a3e_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5a3e _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . 0.683 ' NZ ' ' O ' ' A' 1008 ' ' HOH . 55.3 tttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.872 0.368 . . . . 29.219999999999999 111.854 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t -98.3 103.51 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.014 -0.735 . . . . 22.27 109.014 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.29 148.7 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 21.52 112.561 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.05 164.07 49.73 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 106.575 -2.61 . . . . 21.890000000000001 106.575 167.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -62.89 -56.98 12.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.025 0.413 . . . . 36.039999999999999 111.397 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.51 -25.96 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 56.350000000000001 111.163 177.691 -66.312 -41.451 -87.572 97.555 2.032 102.03 -32.463 -67.69 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -67.14 -39.34 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 49.939999999999998 111.469 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.1 tp -78.9 -29.88 44.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 15.35 110.543 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.55 93.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.611 . . . . 29.43 110.933 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.19 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 23.550000000000001 110.778 177.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . -71.94 -35.0 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 28.609999999999999 110.832 179.05 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.6 mtt -78.38 -36.38 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 56.560000000000002 111.325 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.22 -50.58 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.948 -0.39 . . . . 52.829999999999998 109.948 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -57.74 -35.32 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.467 0.543 . . . . 30.899999999999999 112.467 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 11' ' ' ALA . 32.6 m80 -84.36 -9.71 58.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.869 1.062 . . . . 32.560000000000002 113.869 -175.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.81 26.24 4.81 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 117.543 1.777 . . . . 28.059999999999999 117.543 171.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.55 -34.35 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.834 1.42 . . . . 28.920000000000002 114.834 -172.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -47.82 108.66 0.17 Allowed 'General case' 0 C--O 1.215 -0.714 0 O-C-N 123.855 0.722 . . . . 41.18 112.381 174.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 63.19 26.17 15.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.858 0.688 . . . . 57.710000000000001 112.858 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . 0.486 ' OH ' ' O ' ' A' 1002 ' ' HOH . 45.6 t80 -74.69 121.74 22.15 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 107.63 -1.248 . . . . 25.91 107.63 169.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 57.67 35.31 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.74 0.65 . . . . 32.799999999999997 110.653 -175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.01 9.88 80.41 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.651 -0.704 . . . . 24.57 114.393 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -97.84 106.12 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.817 0.308 . . . . 18.170000000000002 111.217 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.6 p -53.18 152.06 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.91 -0.586 . . . . 30.34 111.685 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.93 -29.74 12.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.508 0.559 . . . . 23.120000000000001 112.508 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -37.76 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.04 -0.527 . . . . 12.56 113.512 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -63.76 -35.63 81.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.412 0.523 . . . . 13.74 112.412 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -74.11 -44.17 54.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 20.52 111.797 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.86 -44.53 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.502 . . . . 22.989999999999998 109.921 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.19 -46.19 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.625 -0.716 . . . . 51.210000000000001 110.783 176.019 -176.566 -86.2 -98.397 105.262 2.032 103.382 -78.549 -60.676 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.94 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.713 -0.676 . . . . 27.140000000000001 110.383 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.4 -21.66 65.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.022 -0.535 . . . . 27.82 112.027 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -74.62 -43.93 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 29.059999999999999 111.307 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -92.44 -6.76 49.27 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.159 0.429 . . . . 21.960000000000001 112.159 -174.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -93.2 -51.3 5.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 40.259999999999998 110.672 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.0 p -123.94 -5.58 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.859 1.059 . . . . 27.199999999999999 113.859 -171.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 58.39 41.63 22.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 30.449999999999999 110.544 -173.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 62.6 12.6 5.62 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.976 0.91 . . . . 26.82 113.088 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -92.52 122.0 34.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.686 -0.234 . . . . 34.159999999999997 110.872 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 77.5 p -72.89 -29.09 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.321 0.489 . . . . 20.699999999999999 112.321 -177.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -88.24 18.45 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.39 0.885 . . . . 19.390000000000001 113.39 -177.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.86 127.9 34.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 18.379999999999999 111.683 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -131.25 121.4 24.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 24.829999999999998 110.136 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -128.24 116.92 20.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.965 0.412 . . . . 20.43 112.05 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -77.54 119.36 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 36.5 111.203 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 24.6 m120 -77.28 170.52 16.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 23.359999999999999 111.122 177.232 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.0 p -71.05 -24.34 62.32 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.609 0.596 . . . . 40.719999999999999 112.609 -175.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -84.02 0.38 48.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.177 0.436 . . . . 53.789999999999999 112.177 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.23 -21.12 38.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.437 -0.411 . . . . 29.350000000000001 113.519 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -73.82 173.16 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.301 . . . . 24.43 110.546 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 m -137.97 139.66 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 35.310000000000002 110.996 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -91.36 132.01 36.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 33.060000000000002 109.975 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.88 130.97 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.929 1.085 . . . . 40.149999999999999 113.929 -174.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.05 -163.44 22.21 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 117.158 1.623 . . . . 12.789999999999999 117.158 164.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 tp -62.46 -27.11 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.337 -0.931 . . . . 32.689999999999998 111.398 -176.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . 0.478 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 87.5 mt -120.82 15.08 11.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.546 0.573 . . . . 20.59 112.546 -176.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 48.72 55.28 9.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.214 0.82 . . . . 35.079999999999998 113.214 175.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mt -74.74 126.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 27.170000000000002 111.277 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . 0.519 ' ND2' ' OD1' ' A' ' 46' ' ' ASN . 2.6 t-20 -72.4 146.74 46.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.078 0.77 . . . . 35.119999999999997 113.078 -173.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -92.37 -0.47 57.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.957 0.725 . . . . 32.299999999999997 112.957 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -81.86 -36.63 28.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.45 0.643 . . . . 52.030000000000001 109.794 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -112.5 -30.71 7.04 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.159 -0.928 . . . . 49.960000000000001 113.452 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -114.91 -33.19 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 115.791 1.774 . . . . 23.530000000000001 115.791 -164.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -138.05 163.17 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.021 -0.672 . . . . 30.859999999999999 111.717 179.774 66.548 85.463 97.015 105.171 2.032 109.379 -57.229 -65.849 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.79 123.29 47.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.671 0.619 . . . . 27.010000000000002 112.671 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -116.57 6.73 13.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 26.969999999999999 110.298 173.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.29 1.01 18.79 Favored Glycine 0 C--N 1.33 0.243 0 N-CA-C 115.542 0.977 . . . . 32.530000000000001 115.542 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.76 34.91 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.434 0.635 . . . . 41.450000000000003 111.001 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 m -141.56 83.96 12.78 Favored Pre-proline 0 C--O 1.218 -0.581 0 CA-C-N 115.442 -0.799 . . . . 48.850000000000001 109.447 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -55.27 134.64 64.97 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 120.643 0.896 . . . . 54.5 113.41 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . 0.802 ' O ' ' O ' ' A' 1007 ' ' HOH . . . 89.94 8.9 66.55 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.761 -1.336 . . . . 50.859999999999999 109.761 -173.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.3 t -60.18 131.73 51.72 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.238 0.542 . . . . 59.509999999999998 110.068 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -92.23 -39.99 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.241 -0.891 . . . . 73.480000000000004 111.925 -176.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.3 t30 49.94 58.43 5.47 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.716 0.635 . . . . 29.989999999999998 110.489 -173.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.63 -24.63 60.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 37.789999999999999 111.945 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.9 m -85.6 -7.82 58.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.716 0.293 . . . . 53.109999999999999 110.332 176.026 -73.516 163.884 85.966 112.724 2.031 95.805 62.174 -175.867 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.0 t30 54.18 54.84 8.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.662 -0.699 . . . . 54.93 112.406 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 pt -144.29 150.91 49.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 46.340000000000003 110.666 176.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -69.72 138.89 39.03 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 O-C-N 122.613 0.796 . . . . 28.16 110.415 170.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.27 -22.88 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.152 0.797 . . . . 36.009999999999998 113.152 -177.227 -65.849 -57.229 97.015 109.379 2.032 105.171 85.463 66.548 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.7 p -66.12 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 21.09 110.891 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.11 65.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 27.030000000000001 111.21 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.6 mt -82.99 1.67 38.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.062 -0.517 . . . . 21.420000000000002 111.559 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.57 2.48 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.941 0.719 . . . . 25.440000000000001 112.941 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.5 p -70.67 156.56 39.32 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.77 -0.372 . . . . 31.539999999999999 110.833 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.4 m -60.94 -33.63 73.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 44.200000000000003 109.976 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -76.58 114.67 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.098 -0.705 . . . . 48.329999999999998 109.098 174.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.6 pt -84.26 8.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 113.247 0.832 . . . . 25.010000000000002 113.247 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.0 m -51.74 -51.24 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.366 0.506 . . . . 29.66 112.366 -177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.74 90.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 27.120000000000001 111.537 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.2 m -67.29 -36.77 82.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 22.899999999999999 111.389 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.57 -47.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.591 -0.277 . . . . 17.27 111.353 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -53.4 -38.61 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 38.359999999999999 111.84 176.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.09 -34.71 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 57.640000000000001 111.209 -178.782 -175.867 62.174 85.966 95.805 2.031 112.724 163.884 -73.516 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.5 74.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.884 0.373 . . . . 19.739999999999998 110.225 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.18 -31.66 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 32.079999999999998 110.249 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -76.16 -35.83 59.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 54.689999999999998 110.759 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.6 mt -69.21 -44.94 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 30.170000000000002 111.44 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -76.79 -3.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 32.630000000000003 111.341 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' 1003 ' ' HOH . 14.4 m -111.24 11.64 21.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 34.109999999999999 111.493 179.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -76.64 -17.68 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 42.850000000000001 110.875 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.72 -37.23 2.14 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.459 -0.401 . . . . 40.159999999999997 113.264 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -89.6 0.83 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.232 0.456 . . . . 38.530000000000001 112.232 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.72 -138.97 48.09 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 116.287 -0.415 . . . . 22.620000000000001 113.187 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.5 mtp -78.31 1.96 20.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.647 0.61 . . . . 27.890000000000001 112.647 -178.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -66.6 -19.77 65.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.816 0.341 . . . . 21.210000000000001 111.097 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.03 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 24.440000000000001 110.58 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . 0.478 ' NE1' ' O ' ' A' ' 56' ' ' LEU . 26.9 m-90 -84.56 104.5 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 32.609999999999999 110.095 175.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.18 -34.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.757 -0.656 . . . . 45.729999999999997 111.723 -176.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.5 84.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 29.559999999999999 111.155 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -60.54 -50.42 73.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.716 0.293 . . . . 24.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -60.99 -33.16 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 40.350000000000001 111.156 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.38 -26.16 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.575 1.324 . . . . 27.859999999999999 114.575 -175.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -124.66 -11.98 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.649 0.981 . . . . 20.359999999999999 113.649 -171.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . 0.407 ' O ' ' OG1' ' A' ' 118' ' ' THR . 78.6 m -120.38 -45.2 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 43.130000000000003 112.919 -176.738 -60.676 -78.549 -98.397 103.382 2.032 105.262 -86.2 -176.566 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.61 120.4 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.522 0.564 . . . . 31.649999999999999 112.522 -175.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.64 64.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.911 -0.586 . . . . 37.68 112.265 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 115' ' ' CYS . 40.1 p -90.31 166.11 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.486 0.66 . . . . 36.689999999999998 112.281 -177.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -71.42 78.12 0.76 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.766 -1.106 . . . . 38.890000000000001 110.079 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.76 -13.83 17.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 116.209 -0.451 . . . . 32.030000000000001 111.569 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . 0.753 ' NE2' ' O ' ' A' 1009 ' ' HOH . 4.4 tm0? -49.86 -40.39 42.3 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.032 0.444 . . . . 51.100000000000001 111.451 171.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.64 -13.6 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.322 0.86 . . . . 41.039999999999999 113.322 -171.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -80.96 -20.69 41.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 37.740000000000002 112.008 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.5 pt -106.42 30.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 43.780000000000001 109.864 172.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -65.33 141.48 58.56 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.849 -0.797 . . . . 70.359999999999999 108.849 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 52.95 5.09 0.2 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 115.962 1.145 . . . . 44.259999999999998 115.962 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.91 118.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.547 0.689 . . . . 78.299999999999997 110.62 179.049 -67.69 -32.463 -87.572 102.03 2.032 97.555 -41.451 -66.312 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.013 -0.994 . . . . 79.049999999999997 111.268 -175.583 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1002 ' ' HOH . . . . . 0.486 ' O ' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1003 ' ' HOH . . . . . 0.502 ' O ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1007 ' ' HOH . . . . . 0.802 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1008 ' ' HOH . . . . . 0.683 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1009 ' ' HOH . . . . . 0.753 ' O ' ' NE2' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.3 tttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.872 0.368 . . . . 29.219999999999999 111.854 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t -98.3 103.51 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.014 -0.735 . . . . 22.27 109.014 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.29 148.7 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 21.52 112.561 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.05 164.07 49.73 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 106.575 -2.61 . . . . 21.890000000000001 106.575 167.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' NH1' ' HG2' ' A' ' 125' ' ' ARG . 66.4 ttp85 -62.89 -56.98 12.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.025 0.413 . . . . 36.039999999999999 111.397 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.51 -25.96 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 56.350000000000001 111.163 177.691 -66.312 -41.451 -87.572 97.555 2.032 102.03 -32.463 -67.69 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -67.14 -39.34 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 49.939999999999998 111.469 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.1 tp -78.9 -29.88 44.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 15.35 110.543 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.55 93.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.611 . . . . 29.43 110.933 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.19 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 23.550000000000001 110.778 177.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.94 -35.0 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 28.609999999999999 110.832 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.6 mtt -78.38 -36.38 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 56.560000000000002 111.325 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.22 -50.58 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.948 -0.39 . . . . 52.829999999999998 109.948 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -57.74 -35.32 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.467 0.543 . . . . 30.899999999999999 112.467 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' HB3' HG11 ' A' ' 92' ' ' VAL . 32.6 m80 -84.36 -9.71 58.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.869 1.062 . . . . 32.560000000000002 113.869 -175.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.81 26.24 4.81 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 117.543 1.777 . . . . 28.059999999999999 117.543 171.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.55 -34.35 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.834 1.42 . . . . 28.920000000000002 114.834 -172.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -47.82 108.66 0.17 Allowed 'General case' 0 C--O 1.215 -0.714 0 O-C-N 123.855 0.722 . . . . 41.18 112.381 174.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 63.19 26.17 15.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.858 0.688 . . . . 57.710000000000001 112.858 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -74.69 121.74 22.15 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 107.63 -1.248 . . . . 25.91 107.63 169.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 57.67 35.31 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.74 0.65 . . . . 32.799999999999997 110.653 -175.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.01 9.88 80.41 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.651 -0.704 . . . . 24.57 114.393 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -97.84 106.12 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.817 0.308 . . . . 18.170000000000002 111.217 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.6 p -53.18 152.06 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.91 -0.586 . . . . 30.34 111.685 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.93 -29.74 12.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.508 0.559 . . . . 23.120000000000001 112.508 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -37.76 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.04 -0.527 . . . . 12.56 113.512 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -63.76 -35.63 81.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.412 0.523 . . . . 13.74 112.412 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -74.11 -44.17 54.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 20.52 111.797 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.86 -44.53 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.502 . . . . 22.989999999999998 109.921 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.19 -46.19 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.625 -0.716 . . . . 51.210000000000001 110.783 176.019 -176.566 -86.2 -98.397 105.262 2.032 103.382 -78.549 -60.676 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.94 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.713 -0.676 . . . . 27.140000000000001 110.383 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.4 -21.66 65.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.022 -0.535 . . . . 27.82 112.027 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 52.4 tptt -74.62 -43.93 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 29.059999999999999 111.307 177.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' HB3' ' HD3' ' A' ' 114' ' ' ARG . 27.8 m-85 -92.44 -6.76 49.27 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.159 0.429 . . . . 21.960000000000001 112.159 -174.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -93.2 -51.3 5.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 40.259999999999998 110.672 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.0 p -123.94 -5.58 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.859 1.059 . . . . 27.199999999999999 113.859 -171.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 58.39 41.63 22.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 30.449999999999999 110.544 -173.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 62.6 12.6 5.62 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.976 0.91 . . . . 26.82 113.088 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -92.52 122.0 34.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.686 -0.234 . . . . 34.159999999999997 110.872 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 p -72.89 -29.09 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.321 0.489 . . . . 20.699999999999999 112.321 -177.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -88.24 18.45 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.39 0.885 . . . . 19.390000000000001 113.39 -177.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.86 127.9 34.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 18.379999999999999 111.683 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -131.25 121.4 24.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 24.829999999999998 110.136 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -128.24 116.92 20.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.965 0.412 . . . . 20.43 112.05 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -77.54 119.36 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 36.5 111.203 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 24.6 m120 -77.28 170.52 16.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 23.359999999999999 111.122 177.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.0 p -71.05 -24.34 62.32 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.609 0.596 . . . . 40.719999999999999 112.609 -175.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -84.02 0.38 48.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.177 0.436 . . . . 53.789999999999999 112.177 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.23 -21.12 38.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.437 -0.411 . . . . 29.350000000000001 113.519 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -73.82 173.16 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.301 . . . . 24.43 110.546 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 53' ' ' TYR . 28.9 m -137.97 139.66 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 35.310000000000002 110.996 -178.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' GLN . 73.7 m-20 -91.36 132.01 36.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 33.060000000000002 109.975 177.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.44 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 96.3 m-85 -122.88 130.97 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.929 1.085 . . . . 40.149999999999999 113.929 -174.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 40' ' ' THR . . . 97.05 -163.44 22.21 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 117.158 1.623 . . . . 12.789999999999999 117.158 164.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.751 HG23 ' HG ' ' A' ' 56' ' ' LEU . 6.0 tp -62.46 -27.11 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.337 -0.931 . . . . 32.689999999999998 111.398 -176.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.751 ' HG ' HG23 ' A' ' 55' ' ' ILE . 87.5 mt -120.82 15.08 11.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.546 0.573 . . . . 20.59 112.546 -176.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 35.9 mm-40 48.72 55.28 9.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.214 0.82 . . . . 35.079999999999998 113.214 175.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.556 HG23 HD11 ' A' ' 98' ' ' ILE . 29.1 mt -74.74 126.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 27.170000000000002 111.277 -178.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . 0.519 ' ND2' ' OD1' ' A' ' 46' ' ' ASN . 2.6 t-20 -72.4 146.74 46.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.078 0.77 . . . . 35.119999999999997 113.078 -173.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -92.37 -0.47 57.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.957 0.725 . . . . 32.299999999999997 112.957 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -81.86 -36.63 28.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.45 0.643 . . . . 52.030000000000001 109.794 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -112.5 -30.71 7.04 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.159 -0.928 . . . . 49.960000000000001 113.452 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.46 ' CE2' HG12 ' A' ' 98' ' ' ILE . 66.8 m95 -114.91 -33.19 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 115.791 1.774 . . . . 23.530000000000001 115.791 -164.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -138.05 163.17 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.021 -0.672 . . . . 30.859999999999999 111.717 179.774 66.548 85.463 97.015 105.171 2.032 109.379 -57.229 -65.849 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.79 123.29 47.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.671 0.619 . . . . 27.010000000000002 112.671 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -116.57 6.73 13.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 26.969999999999999 110.298 173.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.29 1.01 18.79 Favored Glycine 0 C--N 1.33 0.243 0 N-CA-C 115.542 0.977 . . . . 32.530000000000001 115.542 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.76 34.91 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.434 0.635 . . . . 41.450000000000003 111.001 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' SER . 11.7 m -141.56 83.96 12.78 Favored Pre-proline 0 C--O 1.218 -0.581 0 CA-C-N 115.442 -0.799 . . . . 48.850000000000001 109.447 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -55.27 134.64 64.97 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 120.643 0.896 . . . . 54.5 113.41 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . 0.802 ' O ' ' O ' ' A' 1007 ' ' HOH . . . 89.94 8.9 66.55 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.761 -1.336 . . . . 50.859999999999999 109.761 -173.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 69' ' ' THR . 37.3 t -60.18 131.73 51.72 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.238 0.542 . . . . 59.509999999999998 110.068 178.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -92.23 -39.99 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.241 -0.891 . . . . 73.480000000000004 111.925 -176.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.3 t30 49.94 58.43 5.47 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.716 0.635 . . . . 29.989999999999998 110.489 -173.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.63 -24.63 60.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 37.789999999999999 111.945 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.9 m -85.6 -7.82 58.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.716 0.293 . . . . 53.109999999999999 110.332 176.026 -73.516 163.884 85.966 112.724 2.031 95.805 62.174 -175.867 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.0 t30 54.18 54.84 8.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.662 -0.699 . . . . 54.93 112.406 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 pt -144.29 150.91 49.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 46.340000000000003 110.666 176.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -69.72 138.89 39.03 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 O-C-N 122.613 0.796 . . . . 28.16 110.415 170.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.27 -22.88 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.152 0.797 . . . . 36.009999999999998 113.152 -177.227 -65.849 -57.229 97.015 109.379 2.032 105.171 85.463 66.548 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.7 p -66.12 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 21.09 110.891 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.11 65.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 27.030000000000001 111.21 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.6 mt -82.99 1.67 38.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.062 -0.517 . . . . 21.420000000000002 111.559 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.57 2.48 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.941 0.719 . . . . 25.440000000000001 112.941 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.5 p -70.67 156.56 39.32 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.77 -0.372 . . . . 31.539999999999999 110.833 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.4 m -60.94 -33.63 73.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 44.200000000000003 109.976 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -76.58 114.67 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.098 -0.705 . . . . 48.329999999999998 109.098 174.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.6 pt -84.26 8.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 113.247 0.832 . . . . 25.010000000000002 113.247 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.0 m -51.74 -51.24 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.366 0.506 . . . . 29.66 112.366 -177.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.74 90.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 27.120000000000001 111.537 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.2 m -67.29 -36.77 82.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 22.899999999999999 111.389 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 15' ' ' HIS . 88.4 t -73.57 -47.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.591 -0.277 . . . . 17.27 111.353 -179.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -53.4 -38.61 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 38.359999999999999 111.84 176.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.09 -34.71 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 57.640000000000001 111.209 -178.782 -175.867 62.174 85.966 95.805 2.031 112.724 163.884 -73.516 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.5 74.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.884 0.373 . . . . 19.739999999999998 110.225 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.18 -31.66 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 32.079999999999998 110.249 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -76.16 -35.83 59.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 54.689999999999998 110.759 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.556 HD11 HG23 ' A' ' 58' ' ' ILE . 14.6 mt -69.21 -44.94 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 30.170000000000002 111.44 179.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -76.79 -3.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 32.630000000000003 111.341 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' 1003 ' ' HOH . 14.4 m -111.24 11.64 21.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 34.109999999999999 111.493 179.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -76.64 -17.68 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 42.850000000000001 110.875 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.72 -37.23 2.14 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.459 -0.401 . . . . 40.159999999999997 113.264 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -89.6 0.83 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.232 0.456 . . . . 38.530000000000001 112.232 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.72 -138.97 48.09 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 116.287 -0.415 . . . . 22.620000000000001 113.187 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.5 mtp -78.31 1.96 20.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.647 0.61 . . . . 27.890000000000001 112.647 -178.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -66.6 -19.77 65.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.816 0.341 . . . . 21.210000000000001 111.097 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.03 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 24.440000000000001 110.58 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 56' ' ' LEU . 26.9 m-90 -84.56 104.5 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 32.609999999999999 110.095 175.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.18 -34.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.757 -0.656 . . . . 45.729999999999997 111.723 -176.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.5 84.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 29.559999999999999 111.155 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -60.54 -50.42 73.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.716 0.293 . . . . 24.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -60.99 -33.16 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 40.350000000000001 111.156 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.38 -26.16 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.575 1.324 . . . . 27.859999999999999 114.575 -175.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HD3' ' HB3' ' A' ' 34' ' ' PHE . 48.5 mtp180 -124.66 -11.98 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.649 0.981 . . . . 20.359999999999999 113.649 -171.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.38 -45.2 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 43.130000000000003 112.919 -176.738 -60.676 -78.549 -98.397 103.382 2.032 105.262 -86.2 -176.566 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.61 120.4 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.522 0.564 . . . . 31.649999999999999 112.522 -175.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.64 64.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.911 -0.586 . . . . 37.68 112.265 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.1 p -90.31 166.11 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.486 0.66 . . . . 36.689999999999998 112.281 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -71.42 78.12 0.76 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.766 -1.106 . . . . 38.890000000000001 110.079 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.76 -13.83 17.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 116.209 -0.451 . . . . 32.030000000000001 111.569 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . 0.682 ' NE2' ' O ' ' A' 1009 ' ' HOH . 4.4 tm0? -49.86 -40.39 42.3 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.032 0.444 . . . . 51.100000000000001 111.451 171.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.64 -13.6 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.322 0.86 . . . . 41.039999999999999 113.322 -171.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . 0.559 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 98.8 m95 -80.96 -20.69 41.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 37.740000000000002 112.008 -178.602 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.5 pt -106.42 30.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 43.780000000000001 109.864 172.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.458 ' HG2' ' NH1' ' A' ' 5' ' ' ARG . 6.4 ptt180 -65.33 141.48 58.56 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.849 -0.797 . . . . 70.359999999999999 108.849 173.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 52.95 5.09 0.2 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 115.962 1.145 . . . . 44.259999999999998 115.962 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.91 118.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.547 0.689 . . . . 78.299999999999997 110.62 179.049 -67.69 -32.463 -87.572 102.03 2.032 97.555 -41.451 -66.312 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.013 -0.994 . . . . 79.049999999999997 111.268 -175.583 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1003 ' ' HOH . . . . . 0.502 ' O ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1007 ' ' HOH . . . . . 0.802 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1009 ' ' HOH . . . . . 0.682 ' O ' ' NE2' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.3 tttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.872 0.368 . . . . 29.219999999999999 111.854 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t -98.3 103.51 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.014 -0.735 . . . . 22.27 109.014 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.29 148.7 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 21.52 112.561 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.05 164.07 49.73 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 106.575 -2.61 . . . . 21.890000000000001 106.575 167.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' NH1' ' HG2' ' A' ' 125' ' ' ARG . 66.4 ttp85 -62.89 -56.98 12.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.025 0.413 . . . . 36.039999999999999 111.397 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.51 -25.96 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 56.350000000000001 111.163 177.691 -66.312 -41.451 -87.572 97.555 2.032 102.03 -32.463 -67.69 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -67.14 -39.34 86.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 49.939999999999998 111.469 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.1 tp -78.9 -29.88 44.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.093 -0.503 . . . . 15.35 110.543 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.03 -45.55 93.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.611 . . . . 29.43 110.933 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.33 -32.19 68.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 23.550000000000001 110.778 177.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.94 -35.0 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 28.609999999999999 110.832 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.6 mtt -78.38 -36.38 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 56.560000000000002 111.325 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.22 -50.58 71.21 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.948 -0.39 . . . . 52.829999999999998 109.948 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -57.74 -35.32 70.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.467 0.543 . . . . 30.899999999999999 112.467 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' HB3' HG11 ' A' ' 92' ' ' VAL . 32.6 m80 -84.36 -9.71 58.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.869 1.062 . . . . 32.560000000000002 113.869 -175.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.81 26.24 4.81 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 117.543 1.777 . . . . 28.059999999999999 117.543 171.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.55 -34.35 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.834 1.42 . . . . 28.920000000000002 114.834 -172.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -47.82 108.66 0.17 Allowed 'General case' 0 C--O 1.215 -0.714 0 O-C-N 123.855 0.722 . . . . 41.18 112.381 174.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 63.19 26.17 15.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.858 0.688 . . . . 57.710000000000001 112.858 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -74.69 121.74 22.15 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 107.63 -1.248 . . . . 25.91 107.63 169.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 57.67 35.31 25.5 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.74 0.65 . . . . 32.799999999999997 110.653 -175.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.01 9.88 80.41 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.651 -0.704 . . . . 24.57 114.393 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -97.84 106.12 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.817 0.308 . . . . 18.170000000000002 111.217 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.6 p -53.18 152.06 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.91 -0.586 . . . . 30.34 111.685 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.93 -29.74 12.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.508 0.559 . . . . 23.120000000000001 112.508 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -37.76 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.04 -0.527 . . . . 12.56 113.512 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -63.76 -35.63 81.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.412 0.523 . . . . 13.74 112.412 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -74.11 -44.17 54.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 20.52 111.797 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.86 -44.53 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.502 . . . . 22.989999999999998 109.921 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.19 -46.19 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.625 -0.716 . . . . 51.210000000000001 110.783 176.019 -176.566 -86.2 -98.397 105.262 2.032 103.382 -78.549 -60.676 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.94 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.713 -0.676 . . . . 27.140000000000001 110.383 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.4 -21.66 65.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.022 -0.535 . . . . 27.82 112.027 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 52.4 tptt -74.62 -43.93 53.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 29.059999999999999 111.307 177.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' HB3' ' HD3' ' A' ' 114' ' ' ARG . 27.8 m-85 -92.44 -6.76 49.27 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.159 0.429 . . . . 21.960000000000001 112.159 -174.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -93.2 -51.3 5.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 40.259999999999998 110.672 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.0 p -123.94 -5.58 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.859 1.059 . . . . 27.199999999999999 113.859 -171.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 58.39 41.63 22.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 30.449999999999999 110.544 -173.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 62.6 12.6 5.62 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.976 0.91 . . . . 26.82 113.088 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -92.52 122.0 34.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.686 -0.234 . . . . 34.159999999999997 110.872 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' HA2' ' A' ' 54' ' ' GLY . 77.5 p -72.89 -29.09 62.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.321 0.489 . . . . 20.699999999999999 112.321 -177.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -88.24 18.45 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.39 0.885 . . . . 19.390000000000001 113.39 -177.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.86 127.9 34.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 18.379999999999999 111.683 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.7 p -131.25 121.4 24.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 24.829999999999998 110.136 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -128.24 116.92 20.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.965 0.412 . . . . 20.43 112.05 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -77.54 119.36 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.88 -0.6 . . . . 36.5 111.203 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 24.6 m120 -77.28 170.52 16.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 23.359999999999999 111.122 177.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.0 p -71.05 -24.34 62.32 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.609 0.596 . . . . 40.719999999999999 112.609 -175.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -84.02 0.38 48.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.177 0.436 . . . . 53.789999999999999 112.177 -176.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.23 -21.12 38.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.437 -0.411 . . . . 29.350000000000001 113.519 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -73.82 173.16 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.301 . . . . 24.43 110.546 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 53' ' ' TYR . 28.9 m -137.97 139.66 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 35.310000000000002 110.996 -178.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' GLN . 73.7 m-20 -91.36 132.01 36.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 33.060000000000002 109.975 177.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.44 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 96.3 m-85 -122.88 130.97 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.929 1.085 . . . . 40.149999999999999 113.929 -174.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 40' ' ' THR . . . 97.05 -163.44 22.21 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 117.158 1.623 . . . . 12.789999999999999 117.158 164.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.751 HG23 ' HG ' ' A' ' 56' ' ' LEU . 6.0 tp -62.46 -27.11 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.337 -0.931 . . . . 32.689999999999998 111.398 -176.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.751 ' HG ' HG23 ' A' ' 55' ' ' ILE . 87.5 mt -120.82 15.08 11.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.546 0.573 . . . . 20.59 112.546 -176.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.477 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 35.9 mm-40 48.72 55.28 9.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.214 0.82 . . . . 35.079999999999998 113.214 175.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.556 HG23 HD11 ' A' ' 98' ' ' ILE . 29.1 mt -74.74 126.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 27.170000000000002 111.277 -178.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.519 ' ND2' ' OD1' ' A' ' 46' ' ' ASN . 2.6 t-20 -72.4 146.74 46.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.078 0.77 . . . . 35.119999999999997 113.078 -173.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -92.37 -0.47 57.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.957 0.725 . . . . 32.299999999999997 112.957 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -81.86 -36.63 28.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.45 0.643 . . . . 52.030000000000001 109.794 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -112.5 -30.71 7.04 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.159 -0.928 . . . . 49.960000000000001 113.452 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.46 ' CE2' HG12 ' A' ' 98' ' ' ILE . 66.8 m95 -114.91 -33.19 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 115.791 1.774 . . . . 23.530000000000001 115.791 -164.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.2 p -138.05 163.17 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.021 -0.672 . . . . 30.859999999999999 111.717 179.774 66.548 85.463 97.015 105.171 2.032 109.379 -57.229 -65.849 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.79 123.29 47.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.671 0.619 . . . . 27.010000000000002 112.671 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -116.57 6.73 13.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 26.969999999999999 110.298 173.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.29 1.01 18.79 Favored Glycine 0 C--N 1.33 0.243 0 N-CA-C 115.542 0.977 . . . . 32.530000000000001 115.542 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.76 34.91 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.434 0.635 . . . . 41.450000000000003 111.001 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' SER . 11.7 m -141.56 83.96 12.78 Favored Pre-proline 0 C--O 1.218 -0.581 0 CA-C-N 115.442 -0.799 . . . . 48.850000000000001 109.447 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -55.27 134.64 64.97 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 120.643 0.896 . . . . 54.5 113.41 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.802 ' O ' ' O ' ' A' 1007 ' ' HOH . . . 89.94 8.9 66.55 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 109.761 -1.336 . . . . 50.859999999999999 109.761 -173.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 69' ' ' THR . 37.3 t -60.18 131.73 51.72 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.238 0.542 . . . . 59.509999999999998 110.068 178.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -92.23 -39.99 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.241 -0.891 . . . . 73.480000000000004 111.925 -176.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.3 t30 49.94 58.43 5.47 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.716 0.635 . . . . 29.989999999999998 110.489 -173.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.63 -24.63 60.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 37.789999999999999 111.945 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.9 m -85.6 -7.82 58.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.716 0.293 . . . . 53.109999999999999 110.332 176.026 -73.516 163.884 85.966 112.724 2.031 95.805 62.174 -175.867 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.0 t30 54.18 54.84 8.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.662 -0.699 . . . . 54.93 112.406 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 pt -144.29 150.91 49.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 46.340000000000003 110.666 176.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -69.72 138.89 39.03 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 O-C-N 122.613 0.796 . . . . 28.16 110.415 170.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.27 -22.88 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.152 0.797 . . . . 36.009999999999998 113.152 -177.227 -65.849 -57.229 97.015 109.379 2.032 105.171 85.463 66.548 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.7 p -66.12 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 21.09 110.891 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.11 65.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 27.030000000000001 111.21 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.6 mt -82.99 1.67 38.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.062 -0.517 . . . . 21.420000000000002 111.559 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.57 2.48 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.941 0.719 . . . . 25.440000000000001 112.941 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.5 p -70.67 156.56 39.32 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.77 -0.372 . . . . 31.539999999999999 110.833 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.4 m -60.94 -33.63 73.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 44.200000000000003 109.976 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -76.58 114.67 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.098 -0.705 . . . . 48.329999999999998 109.098 174.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.6 pt -84.26 8.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 113.247 0.832 . . . . 25.010000000000002 113.247 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.0 m -51.74 -51.24 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.366 0.506 . . . . 29.66 112.366 -177.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.74 90.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 27.120000000000001 111.537 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.2 m -67.29 -36.77 82.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 22.899999999999999 111.389 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 15' ' ' HIS . 88.4 t -73.57 -47.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.591 -0.277 . . . . 17.27 111.353 -179.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -53.4 -38.61 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 38.359999999999999 111.84 176.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.09 -34.71 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 57.640000000000001 111.209 -178.782 -175.867 62.174 85.966 95.805 2.031 112.724 163.884 -73.516 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.5 74.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.884 0.373 . . . . 19.739999999999998 110.225 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.18 -31.66 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.761 -0.654 . . . . 32.079999999999998 110.249 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -76.16 -35.83 59.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 54.689999999999998 110.759 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.556 HD11 HG23 ' A' ' 58' ' ' ILE . 14.6 mt -69.21 -44.94 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 30.170000000000002 111.44 179.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 p -76.79 -3.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 32.630000000000003 111.341 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' 1003 ' ' HOH . 14.4 m -111.24 11.64 21.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 34.109999999999999 111.493 179.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -76.64 -17.68 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 42.850000000000001 110.875 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.72 -37.23 2.14 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.459 -0.401 . . . . 40.159999999999997 113.264 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -89.6 0.83 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.232 0.456 . . . . 38.530000000000001 112.232 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.72 -138.97 48.09 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 116.287 -0.415 . . . . 22.620000000000001 113.187 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.5 mtp -78.31 1.96 20.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.647 0.61 . . . . 27.890000000000001 112.647 -178.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -66.6 -19.77 65.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.816 0.341 . . . . 21.210000000000001 111.097 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.03 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 24.440000000000001 110.58 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 56' ' ' LEU . 26.9 m-90 -84.56 104.5 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 32.609999999999999 110.095 175.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.18 -34.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.757 -0.656 . . . . 45.729999999999997 111.723 -176.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.5 84.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 29.559999999999999 111.155 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -60.54 -50.42 73.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.716 0.293 . . . . 24.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -60.99 -33.16 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 40.350000000000001 111.156 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.38 -26.16 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.575 1.324 . . . . 27.859999999999999 114.575 -175.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HD3' ' HB3' ' A' ' 34' ' ' PHE . 48.5 mtp180 -124.66 -11.98 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.649 0.981 . . . . 20.359999999999999 113.649 -171.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.38 -45.2 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 43.130000000000003 112.919 -176.738 -60.676 -78.549 -98.397 103.382 2.032 105.262 -86.2 -176.566 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.61 120.4 6.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.522 0.564 . . . . 31.649999999999999 112.522 -175.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.57 -14.64 64.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.911 -0.586 . . . . 37.68 112.265 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.1 p -90.31 166.11 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.486 0.66 . . . . 36.689999999999998 112.281 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -71.42 78.12 0.76 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.766 -1.106 . . . . 38.890000000000001 110.079 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.0 m -71.76 -13.83 17.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 116.209 -0.451 . . . . 32.030000000000001 111.569 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.682 ' NE2' ' O ' ' A' 1009 ' ' HOH . 4.4 tm0? -49.86 -40.39 42.3 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.032 0.444 . . . . 51.100000000000001 111.451 171.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.64 -13.6 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.322 0.86 . . . . 41.039999999999999 113.322 -171.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.559 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 98.8 m95 -80.96 -20.69 41.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.008 0.373 . . . . 37.740000000000002 112.008 -178.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.5 pt -106.42 30.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 43.780000000000001 109.864 172.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.458 ' HG2' ' NH1' ' A' ' 5' ' ' ARG . 6.4 ptt180 -65.33 141.48 58.56 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.849 -0.797 . . . . 70.359999999999999 108.849 173.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 52.95 5.09 0.2 Allowed Glycine 0 CA--C 1.52 0.371 0 N-CA-C 115.962 1.145 . . . . 44.259999999999998 115.962 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 85.5 m -81.91 118.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.547 0.689 . . . . 78.299999999999997 110.62 179.049 -67.69 -32.463 -87.572 102.03 2.032 97.555 -41.451 -66.312 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.013 -0.994 . . . . 79.049999999999997 111.268 -175.583 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' HOH . . . . . 0.502 ' O ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' HOH . . . . . 0.802 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' HOH . . . . . 0.682 ' O ' ' NE2' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_