data_5nnk_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 5nnk _Structure_validation_residue.Date_analyzed 2018-01-19 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . 0.659 HD12 ' HG ' ' A' ' 2' ' ' LEU . 2.3 tm? . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 119.252 -0.404 . . . . 127.28 110.455 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . 0.659 ' HG ' HD12 ' A' ' 1' ' ' LEU . 2.1 mp -83.17 60.9 5.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.354 1.073 . . . . 103.24 110.796 -173.102 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.99 -137.98 45.79 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.306 -1.426 . . . . 74.87 110.31 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -94.83 9.78 37.8 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.104 0.779 . . . . 92.58 113.104 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -79.57 151.06 30.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.551 0.691 . . . . 62.71 110.873 174.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 64.04 39.04 8.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.622 -0.717 . . . . 59.98 111.389 172.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -49.88 -50.78 44.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.063 0.459 . . . . 185.93 110.967 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.23 -54.67 29.75 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 120.983 0.42 . . . . 103.82 111.076 -173.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -56.18 -49.28 74.47 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.919 -0.488 . . . . 79.08 111.389 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -59.2 -36.22 74.98 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.824 -0.75 . . . . 98.98 111.261 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.15 -41.62 73.62 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 119.897 -0.721 . . . . 119.3 111.526 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.22 -50.85 72.43 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.589 -0.845 . . . . 102.28 111.023 175.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.88 -48.35 62.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.15 0.5 . . . . 61.97 110.464 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.47 96.3 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 119.711 -1.233 . . . . 63.55 112.248 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -51.23 -59.29 4.37 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.205 0.526 . . . . 121.92 111.005 175.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -59.98 -43.1 95.33 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.135 -0.626 . . . . 90.59 111.403 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.43 -41.75 90.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.472 -0.891 . . . . 75.93 111.168 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -64.35 -39.43 93.88 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.403 -0.919 . . . . 91.93 110.845 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 23' ' ' ARG . 22.4 ttm180 -55.24 -51.92 65.04 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.148 0.499 . . . . 122.66 110.993 174.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.74 -54.91 23.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.201 0.524 . . . . 57.52 110.536 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.16 -40.76 56.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.878 -0.514 . . . . 64.83 110.43 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -62.87 -44.06 97.12 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.075 -0.65 . . . . 117.48 111.213 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 19' ' ' ARG . 13.4 mtp180 -67.45 -35.96 80.24 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 119.542 -0.863 . . . . 164.54 111.784 -179.374 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.3 -40.39 88.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.972 0.415 . . . . 59.93 110.407 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.81 -54.65 44.51 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.861 -0.525 . . . . 99.57 110.892 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -48.65 -47.46 40.47 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.052 -0.659 . . . . 83.21 110.967 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.13 -49.58 77.31 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.091 -0.644 . . . . 65.96 111.283 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.02 -34.79 76.86 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.113 -0.635 . . . . 70.61 111.593 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.72 -29.61 69.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.232 -0.587 . . . . 164.02 111.466 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -76.85 -29.67 55.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.205 -0.998 . . . . 74.0 111.858 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -73.52 -44.55 57.43 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.561 0.22 . . . . 80.46 111.315 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -126.43 84.92 61.19 Favored Pre-proline 0 C--O 1.238 0.485 0 N-CA-C 107.56 -1.274 . . . . 85.97 107.56 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 70.6 Cg_endo -76.29 153.08 35.52 Favored 'Trans proline' 0 C--N 1.33 -0.435 0 CA-C-N 119.264 0.773 . . . . 116.3 112.708 -173.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 6.0 mmt85 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 125.847 1.659 . . . . 142.23 109.541 172.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LDA . . . . . 0.421 ' H21' HM23 ' A' ' 101' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LDA . . . . . 0.464 ' H22' HM23 ' A' ' 103' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . 0.645 HD12 ' HG ' ' A' ' 2' ' ' LEU . 2.3 tm? . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 119.252 -0.404 . . . . 106.06 110.455 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . 0.645 ' HG ' HD12 ' A' ' 1' ' ' LEU . 2.1 mp -83.17 60.9 5.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.354 1.073 . . . . 86.040000000000006 110.796 -173.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.99 -137.98 45.79 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.306 -1.426 . . . . 62.390000000000001 110.31 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -94.83 9.78 37.8 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.104 0.779 . . . . 92.579999999999998 113.104 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -79.57 151.06 30.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.551 0.691 . . . . 52.259999999999998 110.873 174.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 64.04 39.04 8.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.622 -0.717 . . . . 49.979999999999997 111.389 172.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -49.88 -50.78 44.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.063 0.459 . . . . 154.94 110.967 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.23 -54.67 29.75 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 120.983 0.42 . . . . 86.510000000000005 111.076 -173.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -56.18 -49.28 74.47 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.919 -0.488 . . . . 65.900000000000006 111.389 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -59.2 -36.22 74.98 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.824 -0.75 . . . . 82.480000000000004 111.261 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.15 -41.62 73.62 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 119.897 -0.721 . . . . 115.45999999999999 111.526 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.22 -50.85 72.43 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.589 -0.845 . . . . 85.239999999999995 111.023 175.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.88 -48.35 62.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.15 0.5 . . . . 52.399999999999999 110.464 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.47 96.3 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 119.711 -1.233 . . . . 58.219999999999999 112.248 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -51.23 -59.29 4.37 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.205 0.526 . . . . 101.59999999999999 111.005 175.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -59.98 -43.1 95.33 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.135 -0.626 . . . . 90.590000000000003 111.403 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.43 -41.75 90.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.472 -0.891 . . . . 63.280000000000001 111.168 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -64.35 -39.43 93.88 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.403 -0.919 . . . . 76.609999999999999 110.845 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' A' ' 23' ' ' ARG . 22.4 ttm180 -55.24 -51.92 65.04 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.148 0.499 . . . . 102.22 110.993 174.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.74 -54.91 23.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.201 0.524 . . . . 48.990000000000002 110.536 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.16 -40.76 56.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.878 -0.514 . . . . 54.020000000000003 110.43 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -62.87 -44.06 97.12 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.075 -0.65 . . . . 97.900000000000006 111.213 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 19' ' ' ARG . 13.4 mtp180 -67.45 -35.96 80.24 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 119.542 -0.863 . . . . 137.12 111.784 -179.374 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.3 -40.39 88.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.972 0.415 . . . . 53.920000000000002 110.407 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.81 -54.65 44.51 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.861 -0.525 . . . . 82.969999999999999 110.892 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -48.65 -47.46 40.47 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.052 -0.659 . . . . 83.209999999999994 110.967 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.13 -49.58 77.31 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.091 -0.644 . . . . 54.960000000000001 111.283 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.02 -34.79 76.86 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.113 -0.635 . . . . 61.420000000000002 111.593 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.72 -29.61 69.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.232 -0.587 . . . . 136.69 111.466 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -76.85 -29.67 55.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.205 -0.998 . . . . 66.549999999999997 111.858 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -73.52 -44.55 57.43 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.561 0.22 . . . . 72.0 111.315 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -126.43 84.92 61.19 Favored Pre-proline 0 C--O 1.238 0.485 0 N-CA-C 107.56 -1.274 . . . . 82.400000000000006 107.56 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 70.6 Cg_endo -76.29 153.08 35.52 Favored 'Trans proline' 0 C--N 1.33 -0.435 0 CA-C-N 119.264 0.773 . . . . 106.06999999999999 112.708 -173.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 6.0 mmt85 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 125.847 1.659 . . . . 118.52 109.541 172.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.645 HD12 ' HG ' ' A' ' 2' ' ' LEU . 2.3 tm? . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 119.252 -0.404 . . . . 106.06 110.455 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.645 ' HG ' HD12 ' A' ' 1' ' ' LEU . 2.1 mp -83.17 60.9 5.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.354 1.073 . . . . 86.040000000000006 110.796 -173.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.99 -137.98 45.79 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.306 -1.426 . . . . 62.390000000000001 110.31 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -94.83 9.78 37.8 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.104 0.779 . . . . 92.579999999999998 113.104 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -79.57 151.06 30.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.551 0.691 . . . . 52.259999999999998 110.873 174.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 64.04 39.04 8.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.622 -0.717 . . . . 49.979999999999997 111.389 172.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -49.88 -50.78 44.65 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.063 0.459 . . . . 154.94 110.967 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.23 -54.67 29.75 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 120.983 0.42 . . . . 86.510000000000005 111.076 -173.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -56.18 -49.28 74.47 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.919 -0.488 . . . . 65.900000000000006 111.389 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -59.2 -36.22 74.98 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.824 -0.75 . . . . 82.480000000000004 111.261 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.15 -41.62 73.62 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 119.897 -0.721 . . . . 115.45999999999999 111.526 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.22 -50.85 72.43 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.589 -0.845 . . . . 85.239999999999995 111.023 175.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.88 -48.35 62.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.15 0.5 . . . . 52.399999999999999 110.464 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.47 96.3 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 119.711 -1.233 . . . . 58.219999999999999 112.248 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -51.23 -59.29 4.37 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.205 0.526 . . . . 101.59999999999999 111.005 175.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -59.98 -43.1 95.33 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.135 -0.626 . . . . 90.590000000000003 111.403 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.43 -41.75 90.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.472 -0.891 . . . . 63.280000000000001 111.168 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -64.35 -39.43 93.88 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.403 -0.919 . . . . 76.609999999999999 110.845 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' A' ' 23' ' ' ARG . 22.4 ttm180 -55.24 -51.92 65.04 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.148 0.499 . . . . 102.22 110.993 174.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 98.2 mt -56.74 -54.91 23.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.201 0.524 . . . . 48.990000000000002 110.536 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.16 -40.76 56.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.878 -0.514 . . . . 54.020000000000003 110.43 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -62.87 -44.06 97.12 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.075 -0.65 . . . . 97.900000000000006 111.213 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 19' ' ' ARG . 13.4 mtp180 -67.45 -35.96 80.24 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 119.542 -0.863 . . . . 137.12 111.784 -179.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.3 -40.39 88.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.972 0.415 . . . . 53.920000000000002 110.407 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.81 -54.65 44.51 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.861 -0.525 . . . . 82.969999999999999 110.892 174.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -48.65 -47.46 40.47 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.052 -0.659 . . . . 83.209999999999994 110.967 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.13 -49.58 77.31 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.091 -0.644 . . . . 54.960000000000001 111.283 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.02 -34.79 76.86 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.113 -0.635 . . . . 61.420000000000002 111.593 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -66.72 -29.61 69.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.232 -0.587 . . . . 136.69 111.466 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -76.85 -29.67 55.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.205 -0.998 . . . . 66.549999999999997 111.858 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -73.52 -44.55 57.43 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.561 0.22 . . . . 72.0 111.315 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -126.43 84.92 61.19 Favored Pre-proline 0 C--O 1.238 0.485 0 N-CA-C 107.56 -1.274 . . . . 82.400000000000006 107.56 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 70.6 Cg_endo -76.29 153.08 35.52 Favored 'Trans proline' 0 C--N 1.33 -0.435 0 CA-C-N 119.264 0.773 . . . . 106.06999999999999 112.708 -173.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 6.0 mmt85 . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 125.847 1.659 . . . . 118.52 109.541 172.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_