data_4nj0_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 4nj0 _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 1.233 0.211 . . . . . . . . 63.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.4 ttp85 -70.76 -33.32 70.66 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 107.978 -1.119 . . . . 66.290000000000006 107.978 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . 0.415 ' SD ' ' CZ ' ' B' ' 1' ' ' ARG . 2.5 ttm -53.57 -40.9 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.152 -0.931 . . . . 63.590000000000003 110.938 172.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -71.94 -36.47 69.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 52.109999999999999 110.588 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 60.509999999999998 111.635 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.99 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 29.739999999999998 110.533 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -66.02 -41.13 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 36.68 111.269 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.29 -36.45 84.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.022 0.379 . . . . 70.349999999999994 112.022 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -70.14 -37.63 75.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 44.369999999999997 111.273 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.71 -48.1 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 26.870000000000001 110.163 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.67 -40.5 92.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 61.07 111.132 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.1 -46.82 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.408 -0.36 . . . . 43.469999999999999 111.882 178.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.84 -36.45 82.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.146 0.425 . . . . 27.289999999999999 112.146 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.86 -44.52 96.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.208 0.527 . . . . 33.530000000000001 110.517 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -62.55 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 44.700000000000003 110.976 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.75 -44.07 97.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 32.289999999999999 111.287 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.0 -38.91 90.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.427 0.528 . . . . 27.0 112.427 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -63.85 -40.57 96.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 34.759999999999998 110.455 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -61.36 -45.58 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 30.07 110.913 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.19 -36.14 83.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 27.210000000000001 111.25 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -65.49 -38.91 91.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.668 -0.242 . . . . 67.730000000000004 110.598 175.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.41 -39.95 94.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 50.200000000000003 111.058 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.53 -42.8 91.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 40.109999999999999 111.774 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -57.76 -48.1 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.325 -0.621 . . . . 35.270000000000003 109.325 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.7 93.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.238 0.459 . . . . 40.740000000000002 112.238 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -59.48 -43.83 93.2 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.78 0.324 . . . . 35.659999999999997 110.768 177.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.9 mt -72.2 -35.58 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 38.049999999999997 112.454 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -58.45 -48.99 78.93 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.891 -0.411 . . . . 52.57 109.891 173.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -57.87 -40.22 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.515 -0.766 . . . . 51.479999999999997 112.076 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mt -54.28 -50.67 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.699 -0.228 . . . . 79.069999999999993 110.516 172.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -54.96 135.91 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.415 0.524 . . . . 57.579999999999998 112.415 -176.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.285 0 CA-C-N 116.731 -0.213 . . . . 47.399999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 45.539999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . 0.415 ' CZ ' ' SD ' ' A' ' 2' ' ' MET . 9.1 tpt180 -73.21 -39.24 65.69 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.374 0.509 . . . . 47.020000000000003 112.374 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 17.1 mmm -59.48 -47.81 84.06 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.203 -1.036 . . . . 50.369999999999997 108.203 174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.5 tptt -54.67 -41.25 69.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.747 -1.115 . . . . 37.789999999999999 112.236 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.46 -45.84 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.717 0.294 . . . . 59.909999999999997 110.876 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.73 -40.93 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.991 0.424 . . . . 27.960000000000001 110.976 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -65.68 -39.5 91.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.84 -0.618 . . . . 44.359999999999999 111.093 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -62.52 -37.07 84.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.791 0.329 . . . . 26.870000000000001 111.501 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.9 -40.49 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 30.25 110.688 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.21 -46.82 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 26.77 110.68 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -62.19 -37.85 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 56.100000000000001 111.022 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.11 -52.45 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 31.760000000000002 111.749 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.05 -36.98 84.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.432 0.53 . . . . 22.309999999999999 112.432 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.42 -42.51 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 23.43 110.812 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -61.44 -46.3 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 27.41 110.774 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -57.68 -42.72 84.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.885 -0.598 . . . . 63.060000000000002 110.311 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.46 -46.89 83.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 36.939999999999998 111.892 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -66.27 -36.32 82.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 35.859999999999999 112.217 -178.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.96 -39.53 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 53.270000000000003 110.738 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.46 -41.28 84.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 30.98 111.228 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.27 -45.3 93.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.719 0.295 . . . . 57.93 111.317 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.59 -42.46 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 37.840000000000003 111.857 177.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -67.66 -44.29 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.255 0.465 . . . . 59.149999999999999 112.255 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.98 -40.16 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.089 0.471 . . . . 28.52 110.366 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.8 99.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.951 -0.568 . . . . 38.469999999999999 111.391 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -64.63 -44.6 89.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 52.170000000000002 111.449 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.5 -38.57 84.53 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.408 0.522 . . . . 45.259999999999998 112.408 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -57.67 -40.98 80.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 56.770000000000003 111.059 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -65.53 -48.48 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.535 . . . . 63.299999999999997 111.351 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.17 -50.85 68.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.534 0.568 . . . . 62.960000000000001 112.534 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -79.88 -2.98 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 63.090000000000003 110.4 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.09 44.05 96.35 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.082 -0.508 . . . . 56.189999999999998 113.086 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -84.45 -121.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.261 -1.385 . . . . 53.979999999999997 107.261 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 71.310000000000002 110.118 177.12 . . . . . . . . 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 ' 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 build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 . . . . . . . . 63.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.4 ttp85 -70.76 -33.32 70.66 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 107.978 -1.119 . . . . 66.290000000000006 107.978 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . 0.485 ' HE3' ' SD ' ' B' ' 2' ' ' MET . 2.5 ttm -53.57 -40.9 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.152 -0.931 . . . . 63.590000000000003 110.938 172.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -71.94 -36.47 69.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 52.109999999999999 110.588 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 60.509999999999998 111.635 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.99 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 29.739999999999998 110.533 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -66.02 -41.13 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 36.68 111.269 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.29 -36.45 84.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.022 0.379 . . . . 70.349999999999994 112.022 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -70.14 -37.63 75.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 44.369999999999997 111.273 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.71 -48.1 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 26.870000000000001 110.163 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.67 -40.5 92.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 61.07 111.132 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.1 -46.82 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.408 -0.36 . . . . 43.469999999999999 111.882 178.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.84 -36.45 82.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.146 0.425 . . . . 27.289999999999999 112.146 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.86 -44.52 96.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.208 0.527 . . . . 33.530000000000001 110.517 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -62.55 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 44.700000000000003 110.976 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.75 -44.07 97.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 32.289999999999999 111.287 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.0 -38.91 90.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.427 0.528 . . . . 27.0 112.427 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -63.85 -40.57 96.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 34.759999999999998 110.455 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -61.36 -45.58 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 30.07 110.913 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.6 mt -65.19 -36.14 83.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 27.210000000000001 111.25 -179.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -65.49 -38.91 91.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.668 -0.242 . . . . 67.730000000000004 110.598 175.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.41 -39.95 94.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 50.200000000000003 111.058 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.53 -42.8 91.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 40.109999999999999 111.774 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 84.3 t -57.76 -48.1 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.325 -0.621 . . . . 35.270000000000003 109.325 175.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.7 93.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.238 0.459 . . . . 40.740000000000002 112.238 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -59.48 -43.83 93.2 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.78 0.324 . . . . 35.659999999999997 110.768 177.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.9 mt -72.2 -35.58 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 38.049999999999997 112.454 -178.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' VAL . . . -58.45 -48.99 78.93 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.891 -0.411 . . . . 52.57 109.891 173.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -57.87 -40.22 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.515 -0.766 . . . . 51.479999999999997 112.076 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mt -54.28 -50.67 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.699 -0.228 . . . . 79.069999999999993 110.516 172.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 26' ' ' LEU . 21.7 t -54.96 135.91 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.415 0.524 . . . . 57.579999999999998 112.415 -176.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.285 0 CA-C-N 116.731 -0.213 . . . . 47.399999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 45.539999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.415 ' CZ ' ' SD ' ' A' ' 2' ' ' MET . 9.1 tpt180 -73.21 -39.24 65.69 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.374 0.509 . . . . 47.020000000000003 112.374 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.485 ' SD ' ' HE3' ' A' ' 2' ' ' MET . 17.1 mmm -59.48 -47.81 84.06 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.203 -1.036 . . . . 50.369999999999997 108.203 174.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.5 tptt -54.67 -41.25 69.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.747 -1.115 . . . . 37.789999999999999 112.236 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.46 -45.84 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.717 0.294 . . . . 59.909999999999997 110.876 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.73 -40.93 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.991 0.424 . . . . 27.960000000000001 110.976 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -65.68 -39.5 91.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.84 -0.618 . . . . 44.359999999999999 111.093 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -62.52 -37.07 84.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.791 0.329 . . . . 26.870000000000001 111.501 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.9 -40.49 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 30.25 110.688 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.21 -46.82 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 26.77 110.68 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -62.19 -37.85 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 56.100000000000001 111.022 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.11 -52.45 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 31.760000000000002 111.749 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.05 -36.98 84.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.432 0.53 . . . . 22.309999999999999 112.432 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.42 -42.51 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 23.43 110.812 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -61.44 -46.3 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 27.41 110.774 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -57.68 -42.72 84.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.885 -0.598 . . . . 63.060000000000002 110.311 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.46 -46.89 83.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 36.939999999999998 111.892 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -66.27 -36.32 82.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 35.859999999999999 112.217 -178.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -66.96 -39.53 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 53.270000000000003 110.738 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.46 -41.28 84.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 30.98 111.228 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.27 -45.3 93.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.719 0.295 . . . . 57.93 111.317 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.59 -42.46 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 37.840000000000003 111.857 177.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -67.66 -44.29 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.255 0.465 . . . . 59.149999999999999 112.255 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.98 -40.16 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.089 0.471 . . . . 28.52 110.366 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.8 99.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.951 -0.568 . . . . 38.469999999999999 111.391 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -64.63 -44.6 89.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 52.170000000000002 111.449 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.5 -38.57 84.53 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.408 0.522 . . . . 45.259999999999998 112.408 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -57.67 -40.98 80.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 56.770000000000003 111.059 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -65.53 -48.48 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.535 . . . . 63.299999999999997 111.351 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.17 -50.85 68.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.534 0.568 . . . . 62.960000000000001 112.534 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -79.88 -2.98 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 63.090000000000003 110.4 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.09 44.05 96.35 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.082 -0.508 . . . . 56.189999999999998 113.086 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -84.45 -121.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.261 -1.385 . . . . 53.979999999999997 107.261 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 71.310000000000002 110.118 177.12 . . . . . . . . 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 ' 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 nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 . . . . . . . . 63.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.4 ttp85 -70.76 -33.32 70.66 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 107.978 -1.119 . . . . 66.290000000000006 107.978 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . 0.485 ' HE3' ' SD ' ' B' ' 2' ' ' MET . 2.5 ttm -53.57 -40.9 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.152 -0.931 . . . . 63.590000000000003 110.938 172.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -71.94 -36.47 69.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 52.109999999999999 110.588 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.98 -41.64 95.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 60.509999999999998 111.635 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.99 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 29.739999999999998 110.533 177.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -66.02 -41.13 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 36.68 111.269 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.29 -36.45 84.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.022 0.379 . . . . 70.349999999999994 112.022 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -70.14 -37.63 75.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 44.369999999999997 111.273 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt -60.71 -48.1 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 26.870000000000001 110.163 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -60.67 -40.5 92.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 61.07 111.132 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.1 -46.82 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.408 -0.36 . . . . 43.469999999999999 111.882 178.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.84 -36.45 82.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.146 0.425 . . . . 27.289999999999999 112.146 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.86 -44.52 96.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.208 0.527 . . . . 33.530000000000001 110.517 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -62.55 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 44.700000000000003 110.976 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.75 -44.07 97.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 32.289999999999999 111.287 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -62.0 -38.91 90.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.427 0.528 . . . . 27.0 112.427 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -63.85 -40.57 96.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 34.759999999999998 110.455 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -61.36 -45.58 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 30.07 110.913 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.6 mt -65.19 -36.14 83.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 27.210000000000001 111.25 -179.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -65.49 -38.91 91.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.668 -0.242 . . . . 67.730000000000004 110.598 175.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.41 -39.95 94.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 50.200000000000003 111.058 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.53 -42.8 91.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 40.109999999999999 111.774 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 84.3 t -57.76 -48.1 84.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.325 -0.621 . . . . 35.270000000000003 109.325 175.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.7 93.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.238 0.459 . . . . 40.740000000000002 112.238 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -59.48 -43.83 93.2 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.78 0.324 . . . . 35.659999999999997 110.768 177.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.9 mt -72.2 -35.58 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 38.049999999999997 112.454 -178.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' VAL . . . -58.45 -48.99 78.93 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.891 -0.411 . . . . 52.57 109.891 173.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -57.87 -40.22 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.515 -0.766 . . . . 51.479999999999997 112.076 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mt -54.28 -50.67 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.699 -0.228 . . . . 79.069999999999993 110.516 172.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 26' ' ' LEU . 21.7 t -54.96 135.91 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.415 0.524 . . . . 57.579999999999998 112.415 -176.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.285 0 CA-C-N 116.731 -0.213 . . . . 47.399999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 45.539999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.415 ' CZ ' ' SD ' ' A' ' 2' ' ' MET . 9.1 tpt180 -73.21 -39.24 65.69 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.374 0.509 . . . . 47.020000000000003 112.374 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.485 ' SD ' ' HE3' ' A' ' 2' ' ' MET . 17.1 mmm -59.48 -47.81 84.06 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.203 -1.036 . . . . 50.369999999999997 108.203 174.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.5 tptt -54.67 -41.25 69.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.747 -1.115 . . . . 37.789999999999999 112.236 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.46 -45.84 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.717 0.294 . . . . 59.909999999999997 110.876 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.73 -40.93 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.991 0.424 . . . . 27.960000000000001 110.976 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -65.68 -39.5 91.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.84 -0.618 . . . . 44.359999999999999 111.093 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -62.52 -37.07 84.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.791 0.329 . . . . 26.870000000000001 111.501 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -66.9 -40.49 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 30.25 110.688 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.21 -46.82 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 26.77 110.68 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -62.19 -37.85 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 56.100000000000001 111.022 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.11 -52.45 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 31.760000000000002 111.749 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.05 -36.98 84.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.432 0.53 . . . . 22.309999999999999 112.432 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.42 -42.51 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 23.43 110.812 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -61.44 -46.3 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 27.41 110.774 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -57.68 -42.72 84.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.885 -0.598 . . . . 63.060000000000002 110.311 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.46 -46.89 83.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 36.939999999999998 111.892 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -66.27 -36.32 82.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 35.859999999999999 112.217 -178.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -66.96 -39.53 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 53.270000000000003 110.738 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.46 -41.28 84.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 30.98 111.228 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.27 -45.3 93.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.719 0.295 . . . . 57.93 111.317 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.59 -42.46 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 37.840000000000003 111.857 177.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -67.66 -44.29 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.255 0.465 . . . . 59.149999999999999 112.255 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.98 -40.16 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.089 0.471 . . . . 28.52 110.366 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.8 99.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.951 -0.568 . . . . 38.469999999999999 111.391 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -64.63 -44.6 89.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 52.170000000000002 111.449 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.5 -38.57 84.53 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.408 0.522 . . . . 45.259999999999998 112.408 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -57.67 -40.98 80.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 56.770000000000003 111.059 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -65.53 -48.48 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.535 . . . . 63.299999999999997 111.351 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.17 -50.85 68.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.534 0.568 . . . . 62.960000000000001 112.534 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -79.88 -2.98 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 63.090000000000003 110.4 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.09 44.05 96.35 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.082 -0.508 . . . . 56.189999999999998 113.086 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -84.45 -121.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.261 -1.385 . . . . 53.979999999999997 107.261 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 71.310000000000002 110.118 177.12 . . . . . . . . 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 ' 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 stop_ save_