data_4nj1_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 4nj1 _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 54.829999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.05 -28.17 66.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.011 0.434 . . . . 56.399999999999999 110.527 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 37.2 ttm -62.28 -37.94 87.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.842 -0.617 . . . . 61.719999999999999 110.939 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -67.21 -34.1 76.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 41.079999999999998 110.979 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -65.75 -43.22 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 40.689999999999998 111.204 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.96 -41.56 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 27.879999999999999 110.588 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' OE2' ' NH1' ' B' ' 1' ' ' ARG . 97.1 mt-10 -65.14 -35.31 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 31.620000000000001 111.226 179.198 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -68.78 -34.47 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 46.700000000000003 111.133 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -71.35 -40.69 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 35.649999999999999 111.001 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.09 -49.46 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.947 -0.569 . . . . 21.75 111.089 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -63.71 -34.96 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 42.560000000000002 110.528 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.99 -47.99 69.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 37.119999999999997 111.612 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.31 -31.59 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 22.920000000000002 111.815 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.1 -43.68 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 25.699999999999999 110.048 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -64.55 -39.9 94.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 29.809999999999999 111.063 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.1 -43.96 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 29.100000000000001 111.073 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -63.22 -38.75 92.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 22.829999999999998 111.506 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -63.49 -36.98 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 24.559999999999999 110.92 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -66.93 -40.19 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 26.219999999999999 111.122 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.55 -34.86 78.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 22.75 110.907 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.55 -38.99 88.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 36.920000000000002 110.337 175.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -66.65 -36.38 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.819 0.343 . . . . 34.310000000000002 111.303 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.85 -41.96 95.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 33.0 110.719 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -61.87 -44.09 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 27.59 110.2 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.06 84.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 31.350000000000001 111.029 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -67.26 -49.5 64.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 25.91 111.552 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.16 -37.47 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 33.420000000000002 111.412 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -67.12 -35.76 80.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.697 0.284 . . . . 43.93 110.837 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -65.13 -33.74 76.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 48.840000000000003 110.159 176.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.91 -36.25 77.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 42.130000000000003 111.437 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.95 95.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.483 -0.562 . . . . 45.5 109.483 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-N 116.038 -0.528 . . . . 49.43 112.253 -177.372 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 32.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' B' ' 128' ' ' HOH . 0.0 OUTLIER -69.17 -39.5 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.639 0.257 . . . . 54.020000000000003 111.222 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 19.9 mmt -55.29 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 55.659999999999997 110.936 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' B' ' 113' ' ' HOH . 59.1 tttp -60.75 -41.42 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 40.32 112.786 -178.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -61.6 -46.12 91.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 51.600000000000001 111.227 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.41 -40.81 89.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 32.060000000000002 111.296 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -65.66 -39.18 91.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 32.43 111.321 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.27 -32.59 74.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.029 -0.268 . . . . 27.449999999999999 111.481 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -68.77 -38.21 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 27.41 110.433 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.02 -46.65 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 18.620000000000001 110.849 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.407 -0.36 . . . . 38.590000000000003 111.175 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.92 -50.54 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 27.399999999999999 111.608 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.85 -33.36 74.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 18.710000000000001 111.682 -177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.42 -41.24 85.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 21.739999999999998 110.375 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -63.75 -41.85 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 25.379999999999999 111.325 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.46 -39.05 91.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 42.75 110.064 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.59 -46.52 80.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 28.809999999999999 111.979 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -67.76 -35.5 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.864 -0.607 . . . . 33.5 111.699 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.02 -36.69 78.06 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.402 -0.519 . . . . 39.219999999999999 111.075 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.47 -39.43 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.15 -0.22 . . . . 26.379999999999999 110.62 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -67.85 -35.9 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.594 -0.275 . . . . 40.43 111.623 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.1 -37.59 86.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.454 -0.339 . . . . 34.630000000000003 111.373 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -69.81 -41.3 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 49.340000000000003 111.198 177.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.33 -40.52 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 29.260000000000002 110.927 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.98 89.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 33.590000000000003 111.237 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . . . -71.34 -37.45 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 36.350000000000001 111.584 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 mt -68.2 -37.56 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.717 0.266 . . . . 35.18 111.717 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -64.06 -37.0 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.287 . . . . 39.869999999999997 111.217 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -64.04 -44.12 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 42.210000000000001 111.208 177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . . . -65.87 -41.8 91.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 51.399999999999999 111.936 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 p -82.38 -17.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 53.0 111.225 -176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.36 20.53 41.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.387 -0.435 . . . . 42.649999999999999 113.768 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.33 167.03 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 41.399999999999999 110.447 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.478 -0.328 . . . . 37.369999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . 0.576 ' O ' ' NZ ' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . 0.546 ' O ' ' NH2' ' B' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 54.829999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.05 -28.17 66.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.011 0.434 . . . . 56.399999999999999 110.527 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 37.2 ttm -62.28 -37.94 87.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.842 -0.617 . . . . 61.719999999999999 110.939 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -67.21 -34.1 76.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 41.079999999999998 110.979 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -65.75 -43.22 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 40.689999999999998 111.204 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.96 -41.56 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 27.879999999999999 110.588 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' OE2' ' NH1' ' B' ' 1' ' ' ARG . 97.1 mt-10 -65.14 -35.31 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 31.620000000000001 111.226 179.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -68.78 -34.47 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 46.700000000000003 111.133 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -71.35 -40.69 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 35.649999999999999 111.001 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.09 -49.46 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.947 -0.569 . . . . 21.75 111.089 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -63.71 -34.96 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 42.560000000000002 110.528 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.99 -47.99 69.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 37.119999999999997 111.612 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.31 -31.59 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 22.920000000000002 111.815 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.1 -43.68 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 25.699999999999999 110.048 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -64.55 -39.9 94.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 29.809999999999999 111.063 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.1 -43.96 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 29.100000000000001 111.073 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -63.22 -38.75 92.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 22.829999999999998 111.506 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -63.49 -36.98 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 24.559999999999999 110.92 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -66.93 -40.19 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 26.219999999999999 111.122 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.55 -34.86 78.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 22.75 110.907 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.55 -38.99 88.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 36.920000000000002 110.337 175.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -66.65 -36.38 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.819 0.343 . . . . 34.310000000000002 111.303 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.85 -41.96 95.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 33.0 110.719 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -61.87 -44.09 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 27.59 110.2 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.06 84.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 31.350000000000001 111.029 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -67.26 -49.5 64.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 25.91 111.552 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.16 -37.47 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 33.420000000000002 111.412 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -67.12 -35.76 80.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.697 0.284 . . . . 43.93 110.837 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -65.13 -33.74 76.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 48.840000000000003 110.159 176.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.91 -36.25 77.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 42.130000000000003 111.437 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.95 95.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.483 -0.562 . . . . 45.5 109.483 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-N 116.038 -0.528 . . . . 49.43 112.253 -177.372 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 32.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -69.17 -39.5 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.639 0.257 . . . . 54.020000000000003 111.222 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 19.9 mmt -55.29 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 55.659999999999997 110.936 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' B' ' 113' ' ' HOH . 59.1 tttp -60.75 -41.42 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 40.32 112.786 -178.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -61.6 -46.12 91.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 51.600000000000001 111.227 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.41 -40.81 89.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 32.060000000000002 111.296 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -65.66 -39.18 91.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 32.43 111.321 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.27 -32.59 74.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.029 -0.268 . . . . 27.449999999999999 111.481 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -68.77 -38.21 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 27.41 110.433 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.02 -46.65 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 18.620000000000001 110.849 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.407 -0.36 . . . . 38.590000000000003 111.175 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.92 -50.54 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 27.399999999999999 111.608 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.85 -33.36 74.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 18.710000000000001 111.682 -177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.42 -41.24 85.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 21.739999999999998 110.375 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -63.75 -41.85 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 25.379999999999999 111.325 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.46 -39.05 91.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 42.75 110.064 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.59 -46.52 80.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 28.809999999999999 111.979 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -67.76 -35.5 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.864 -0.607 . . . . 33.5 111.699 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.02 -36.69 78.06 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.402 -0.519 . . . . 39.219999999999999 111.075 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.47 -39.43 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.15 -0.22 . . . . 26.379999999999999 110.62 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -67.85 -35.9 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.594 -0.275 . . . . 40.43 111.623 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.1 -37.59 86.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.454 -0.339 . . . . 34.630000000000003 111.373 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -69.81 -41.3 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 49.340000000000003 111.198 177.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.33 -40.52 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 29.260000000000002 110.927 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.98 89.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 33.590000000000003 111.237 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . . . -71.34 -37.45 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 36.350000000000001 111.584 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 mt -68.2 -37.56 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.717 0.266 . . . . 35.18 111.717 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -64.06 -37.0 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.287 . . . . 39.869999999999997 111.217 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -64.04 -44.12 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 42.210000000000001 111.208 177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . . . -65.87 -41.8 91.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 51.399999999999999 111.936 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 p -82.38 -17.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 53.0 111.225 -176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.36 20.53 41.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.387 -0.435 . . . . 42.649999999999999 113.768 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.33 167.03 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 41.399999999999999 110.447 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.478 -0.328 . . . . 37.369999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . 0.576 ' O ' ' NZ ' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 54.829999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -69.05 -28.17 66.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.011 0.434 . . . . 56.399999999999999 110.527 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 37.2 ttm -62.28 -37.94 87.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.842 -0.617 . . . . 61.719999999999999 110.939 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -67.21 -34.1 76.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 41.079999999999998 110.979 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -65.75 -43.22 89.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 40.689999999999998 111.204 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.96 -41.56 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 27.879999999999999 110.588 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' OE2' ' NH1' ' B' ' 1' ' ' ARG . 97.1 mt-10 -65.14 -35.31 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 31.620000000000001 111.226 179.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -68.78 -34.47 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 46.700000000000003 111.133 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -71.35 -40.69 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.797 0.332 . . . . 35.649999999999999 111.001 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.09 -49.46 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.947 -0.569 . . . . 21.75 111.089 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -63.71 -34.96 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 42.560000000000002 110.528 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.99 -47.99 69.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 37.119999999999997 111.612 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -66.31 -31.59 72.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 22.920000000000002 111.815 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.1 -43.68 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 25.699999999999999 110.048 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -64.55 -39.9 94.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 29.809999999999999 111.063 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.1 -43.96 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 29.100000000000001 111.073 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -63.22 -38.75 92.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 22.829999999999998 111.506 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -63.49 -36.98 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 24.559999999999999 110.92 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -66.93 -40.19 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 26.219999999999999 111.122 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.55 -34.86 78.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 22.75 110.907 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.55 -38.99 88.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.381 -0.372 . . . . 36.920000000000002 110.337 175.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -66.65 -36.38 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.819 0.343 . . . . 34.310000000000002 111.303 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.85 -41.96 95.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 33.0 110.719 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -61.87 -44.09 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 27.59 110.2 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.06 84.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 31.350000000000001 111.029 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -67.26 -49.5 64.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 25.91 111.552 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.16 -37.47 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 33.420000000000002 111.412 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -67.12 -35.76 80.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.697 0.284 . . . . 43.93 110.837 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -65.13 -33.74 76.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 48.840000000000003 110.159 176.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.91 -36.25 77.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 42.130000000000003 111.437 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.95 95.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.483 -0.562 . . . . 45.5 109.483 176.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-N 116.038 -0.528 . . . . 49.43 112.253 -177.372 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 32.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -69.17 -39.5 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.639 0.257 . . . . 54.020000000000003 111.222 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 19.9 mmt -55.29 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 55.659999999999997 110.936 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' B' ' 113' ' ' HOH . 59.1 tttp -60.75 -41.42 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 40.32 112.786 -178.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -61.6 -46.12 91.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 51.600000000000001 111.227 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.41 -40.81 89.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 32.060000000000002 111.296 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -65.66 -39.18 91.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 32.43 111.321 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.27 -32.59 74.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.029 -0.268 . . . . 27.449999999999999 111.481 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -68.77 -38.21 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 27.41 110.433 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.02 -46.65 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 18.620000000000001 110.849 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.407 -0.36 . . . . 38.590000000000003 111.175 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.92 -50.54 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 27.399999999999999 111.608 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.85 -33.36 74.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 18.710000000000001 111.682 -177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.42 -41.24 85.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 21.739999999999998 110.375 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -63.75 -41.85 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 25.379999999999999 111.325 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.46 -39.05 91.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.421 -0.354 . . . . 42.75 110.064 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.59 -46.52 80.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 28.809999999999999 111.979 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -67.76 -35.5 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.864 -0.607 . . . . 33.5 111.699 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -69.02 -36.69 78.06 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.402 -0.519 . . . . 39.219999999999999 111.075 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.47 -39.43 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.15 -0.22 . . . . 26.379999999999999 110.62 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -67.85 -35.9 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.594 -0.275 . . . . 40.43 111.623 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.1 -37.59 86.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.454 -0.339 . . . . 34.630000000000003 111.373 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -69.81 -41.3 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 49.340000000000003 111.198 177.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.33 -40.52 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 29.260000000000002 110.927 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.98 89.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 33.590000000000003 111.237 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . . . -71.34 -37.45 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 36.350000000000001 111.584 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 mt -68.2 -37.56 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.717 0.266 . . . . 35.18 111.717 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -64.06 -37.0 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.287 . . . . 39.869999999999997 111.217 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -64.04 -44.12 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 42.210000000000001 111.208 177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . . . -65.87 -41.8 91.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 51.399999999999999 111.936 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 p -82.38 -17.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.465 -0.334 . . . . 53.0 111.225 -176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.36 20.53 41.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.387 -0.435 . . . . 42.649999999999999 113.768 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.33 167.03 18.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 41.399999999999999 110.447 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.478 -0.328 . . . . 37.369999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . 0.576 ' O ' ' NZ ' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_