data_4hae_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 4hae _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 ' -5' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 112.498 0.555 . . . . 98.620000000000005 112.498 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' ASN . . . . . . . . . . . . . 6.2 t30 41.3 64.21 1.07 Allowed 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 122.912 1.339 . . . . 86.180000000000007 113.387 -170.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.03 141.86 31.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.981 -1.463 . . . . 62.409999999999997 109.323 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -140.6 144.19 35.67 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 107.07 -1.455 . . . . 65.090000000000003 107.07 -177.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -106.74 134.55 49.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 109.27 -0.641 . . . . 58.130000000000003 109.27 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -92.34 111.51 23.11 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.996 -1.483 . . . . 74.129999999999995 106.996 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -88.05 174.72 44.26 Favored Glycine 0 C--N 1.335 0.515 0 O-C-N 124.215 0.947 . . . . 68.409999999999997 111.204 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.741 0.645 . . . . 75.760000000000005 112.741 -174.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -72.39 -12.43 61.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.065 1.135 . . . . 78.040000000000006 114.065 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.65 -13.9 59.55 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 121.786 -0.245 . . . . 76.909999999999997 113.131 -168.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.28 148.7 51.36 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.367 -1.346 . . . . 71.980000000000004 107.367 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -96.7 135.7 38.26 Favored 'General case' 0 C--O 1.261 1.691 0 C-N-CA 122.765 0.426 . . . . 54.920000000000002 110.514 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TYR . . . . . 0.758 ' OH ' 'UNK ' ' A' ' 108' ' ' UNX . 45.2 m-85 -117.72 129.11 55.51 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 107.502 -1.296 . . . . 58.340000000000003 107.502 -178.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.46 131.23 43.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.622 -0.717 . . . . 74.390000000000001 111.904 -175.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -96.3 128.37 47.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 107.626 -1.25 . . . . 40.229999999999997 107.626 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -72.19 -53.25 13.21 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 109.676 -0.49 . . . . 74.269999999999996 109.676 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ptt85 -163.98 166.2 21.81 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 113.077 0.769 . . . . 56.859999999999999 113.077 170.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mm -87.59 123.69 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.592 -1.262 . . . . 44.039999999999999 107.592 172.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.43 -32.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 116.179 -0.464 . . . . 40.609999999999999 110.629 -175.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -167.28 173.9 8.56 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 106.906 -1.516 . . . . 42.07 106.906 -174.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -145.3 144.04 30.53 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.025 -1.472 . . . . 65.530000000000001 107.025 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -151.01 157.24 42.62 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.382 0.611 . . . . 42.32 110.304 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -92.86 128.08 38.59 Favored 'General case' 0 CA--C 1.493 -1.239 0 N-CA-C 107.057 -1.461 . . . . 57.130000000000003 107.057 168.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -82.13 175.13 10.58 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.128 -0.629 . . . . 46.710000000000001 112.499 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -73.67 -11.02 60.28 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 112.568 0.581 . . . . 56.369999999999997 112.568 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -90.91 -3.83 57.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 119.493 -0.883 . . . . 71.75 111.321 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 12.65 54.72 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 123.027 0.346 . . . . 51.039999999999999 112.458 174.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -112.13 150.68 30.43 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 107.475 -1.305 . . . . 62.799999999999997 107.475 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -79.79 138.63 37.3 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 113.876 1.065 . . . . 52.600000000000001 113.876 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -129.42 152.54 48.86 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.795 -0.817 . . . . 43.5 108.795 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -118.23 145.23 45.16 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.329 1.018 . . . . 63.689999999999998 111.294 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -92.89 118.15 30.82 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 103.999 -2.593 . . . . 36.950000000000003 103.999 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.0 mm -106.19 127.1 61.66 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 CA-C-N 115.904 -0.589 . . . . 33.170000000000002 109.832 -167.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -85.31 115.29 22.98 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 123.986 0.804 . . . . 43.979999999999997 109.77 162.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -84.25 139.32 32.43 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 121.989 -0.445 . . . . 38.43 110.147 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -58.62 126.91 29.6 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.504 -0.924 . . . . 57.229999999999997 108.504 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.33 -4.71 80.62 Favored Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 115.914 1.126 . . . . 44.75 115.914 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -117.3 165.68 13.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.238 1.015 . . . . 44.189999999999998 111.981 -176.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.48 -179.53 24.79 Favored Glycine 0 CA--C 1.498 -0.974 0 CA-C-N 115.508 -0.769 . . . . 45.539999999999999 112.514 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -59.42 -23.27 62.51 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 114.234 1.198 . . . . 51.710000000000001 114.234 -177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 p -63.61 -26.84 68.87 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.814 -1.179 . . . . 62.399999999999999 112.336 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -96.0 6.42 48.9 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 114.551 1.315 . . . . 84.359999999999999 114.551 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -62.73 136.29 57.79 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.955 -0.757 . . . . 35.920000000000002 108.955 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -138.27 150.6 46.83 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 119.927 -0.709 . . . . 43.869999999999997 111.305 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -84.16 124.01 30.69 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 108.459 -0.941 . . . . 38.259999999999998 108.459 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -129.76 147.79 66.83 Favored Pre-proline 0 CA--C 1.492 -1.252 0 CA-C-N 118.077 0.399 . . . . 39.340000000000003 111.109 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.47 139.83 55.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 121.695 1.597 . . . . 44.509999999999998 113.969 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.86 -26.97 68.85 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.277 0.843 . . . . 62.090000000000003 113.277 -176.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 119.567 -0.853 . . . . 71.030000000000001 112.319 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 -5.19 42.28 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 115.055 1.502 . . . . 86.75 115.055 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . . . -89.3 128.66 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.818 -1.178 . . . . 51.850000000000001 107.818 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.9 mt -117.44 149.34 40.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.132 0.491 . . . . 61.789999999999999 111.357 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -111.11 120.14 41.33 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.089 -1.819 . . . . 77.730000000000004 106.089 169.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.87 123.54 47.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.796 0.271 . . . . 62.0 110.88 179.757 -56.501 0.0 0.0 0.0 0.0 0.0 0.0 -56.501 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -119.39 155.4 32.03 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.319 -0.623 . . . . 64.930000000000007 109.319 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -48.31 139.31 8.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.703 -1.221 . . . . 104.18000000000001 107.703 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -70.11 136.08 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.802 -0.635 . . . . 81.829999999999998 110.02 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.7 mm -123.9 120.21 59.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 N-CA-C 108.496 -0.927 . . . . 100.95999999999999 108.496 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.1 131.04 40.93 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.039 -1.437 . . . . 115.40000000000001 108.865 -170.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . . . -44.03 -49.95 8.54 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.285 0.366 . . . . 132.25999999999999 110.938 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -96.59 63.66 2.09 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.699 -0.682 . . . . 135.94999999999999 110.815 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . . . -105.76 137.64 43.29 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 123.178 0.591 . . . . 125.17 111.292 173.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -154.61 30.9 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 116.955 1.542 . . . . 135.41 116.955 171.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.5 tp -88.62 -52.97 4.87 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 113.836 1.051 . . . . 161.78 113.836 -172.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -102.93 152.59 21.13 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.424 0.452 . . . . 165.27000000000001 110.809 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 151.13999999999999 110.179 179.637 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' UNX . . . . . 0.758 'UNK ' ' OH ' ' A' ' 7' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 112.498 0.555 . . . . 98.620000000000005 112.498 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -4' ' ' ASN . . . . . . . . . . . . . 6.2 t30 41.3 64.21 1.07 Allowed 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 122.912 1.339 . . . . 86.180000000000007 113.387 -170.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.03 141.86 31.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.981 -1.463 . . . . 62.409999999999997 109.323 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -140.6 144.19 35.67 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 107.07 -1.455 . . . . 65.090000000000003 107.07 -177.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -106.74 134.55 49.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 109.27 -0.641 . . . . 58.130000000000003 109.27 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -92.34 111.51 23.11 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.996 -1.483 . . . . 74.129999999999995 106.996 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -88.05 174.72 44.26 Favored Glycine 0 C--N 1.335 0.515 0 O-C-N 124.215 0.947 . . . . 68.409999999999997 111.204 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.741 0.645 . . . . 75.760000000000005 112.741 -174.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -72.39 -12.43 61.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.065 1.135 . . . . 78.040000000000006 114.065 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.65 -13.9 59.55 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 121.786 -0.245 . . . . 76.909999999999997 113.131 -168.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.28 148.7 51.36 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.367 -1.346 . . . . 71.980000000000004 107.367 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -96.7 135.7 38.26 Favored 'General case' 0 C--O 1.261 1.691 0 C-N-CA 122.765 0.426 . . . . 54.920000000000002 110.514 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TYR . . . . . 0.758 ' OH ' 'UNK ' ' A' ' 108' ' ' UNX . 45.2 m-85 -117.72 129.11 55.51 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 107.502 -1.296 . . . . 58.340000000000003 107.502 -178.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.46 131.23 43.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.622 -0.717 . . . . 74.390000000000001 111.904 -175.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -96.3 128.37 47.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 107.626 -1.25 . . . . 40.229999999999997 107.626 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -72.19 -53.25 13.21 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 109.676 -0.49 . . . . 74.269999999999996 109.676 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ptt85 -163.98 166.2 21.81 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 113.077 0.769 . . . . 56.859999999999999 113.077 170.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mm -87.59 123.69 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.592 -1.262 . . . . 44.039999999999999 107.592 172.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.43 -32.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 116.179 -0.464 . . . . 40.609999999999999 110.629 -175.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -167.28 173.9 8.56 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 106.906 -1.516 . . . . 42.07 106.906 -174.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -145.3 144.04 30.53 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.025 -1.472 . . . . 65.530000000000001 107.025 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -151.01 157.24 42.62 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.382 0.611 . . . . 42.32 110.304 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -92.86 128.08 38.59 Favored 'General case' 0 CA--C 1.493 -1.239 0 N-CA-C 107.057 -1.461 . . . . 57.130000000000003 107.057 168.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -82.13 175.13 10.58 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.128 -0.629 . . . . 46.710000000000001 112.499 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -73.67 -11.02 60.28 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 112.568 0.581 . . . . 56.369999999999997 112.568 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -90.91 -3.83 57.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 119.493 -0.883 . . . . 71.75 111.321 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 12.65 54.72 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 123.027 0.346 . . . . 51.039999999999999 112.458 174.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -112.13 150.68 30.43 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 107.475 -1.305 . . . . 62.799999999999997 107.475 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -79.79 138.63 37.3 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 113.876 1.065 . . . . 52.600000000000001 113.876 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -129.42 152.54 48.86 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.795 -0.817 . . . . 43.5 108.795 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -118.23 145.23 45.16 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.329 1.018 . . . . 63.689999999999998 111.294 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -92.89 118.15 30.82 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 103.999 -2.593 . . . . 36.950000000000003 103.999 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.0 mm -106.19 127.1 61.66 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 CA-C-N 115.904 -0.589 . . . . 33.170000000000002 109.832 -167.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -85.31 115.29 22.98 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 123.986 0.804 . . . . 43.979999999999997 109.77 162.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -84.25 139.32 32.43 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 121.989 -0.445 . . . . 38.43 110.147 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -58.62 126.91 29.6 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.504 -0.924 . . . . 57.229999999999997 108.504 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.33 -4.71 80.62 Favored Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 115.914 1.126 . . . . 44.75 115.914 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' HD1' ' HG3' ' A' ' 36' ' ' GLU . 72.1 m-85 -117.3 165.68 13.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.238 1.015 . . . . 44.189999999999998 111.981 -176.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.48 -179.53 24.79 Favored Glycine 0 CA--C 1.498 -0.974 0 CA-C-N 115.508 -0.769 . . . . 45.539999999999999 112.514 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -59.42 -23.27 62.51 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 114.234 1.198 . . . . 51.710000000000001 114.234 -177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 p -63.61 -26.84 68.87 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.814 -1.179 . . . . 62.399999999999999 112.336 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 68.5 mm-40 -96.0 6.42 48.9 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 114.551 1.315 . . . . 84.359999999999999 114.551 -179.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -62.73 136.29 57.79 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.955 -0.757 . . . . 35.920000000000002 108.955 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -138.27 150.6 46.83 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 119.927 -0.709 . . . . 43.869999999999997 111.305 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -84.16 124.01 30.69 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 108.459 -0.941 . . . . 38.259999999999998 108.459 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -129.76 147.79 66.83 Favored Pre-proline 0 CA--C 1.492 -1.252 0 CA-C-N 118.077 0.399 . . . . 39.340000000000003 111.109 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.47 139.83 55.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 121.695 1.597 . . . . 44.509999999999998 113.969 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.86 -26.97 68.85 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.277 0.843 . . . . 62.090000000000003 113.277 -176.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 119.567 -0.853 . . . . 71.030000000000001 112.319 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 -5.19 42.28 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 115.055 1.502 . . . . 86.75 115.055 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . . . -89.3 128.66 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.818 -1.178 . . . . 51.850000000000001 107.818 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.9 mt -117.44 149.34 40.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.132 0.491 . . . . 61.789999999999999 111.357 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -111.11 120.14 41.33 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.089 -1.819 . . . . 77.730000000000004 106.089 169.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.87 123.54 47.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.796 0.271 . . . . 62.0 110.88 179.757 -56.501 0.0 0.0 0.0 0.0 0.0 0.0 -56.501 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -119.39 155.4 32.03 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.319 -0.623 . . . . 64.930000000000007 109.319 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -48.31 139.31 8.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.703 -1.221 . . . . 104.18000000000001 107.703 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -70.11 136.08 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.802 -0.635 . . . . 81.829999999999998 110.02 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.7 mm -123.9 120.21 59.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 N-CA-C 108.496 -0.927 . . . . 100.95999999999999 108.496 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.1 131.04 40.93 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.039 -1.437 . . . . 115.40000000000001 108.865 -170.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . . . -44.03 -49.95 8.54 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.285 0.366 . . . . 132.25999999999999 110.938 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -96.59 63.66 2.09 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.699 -0.682 . . . . 135.94999999999999 110.815 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . . . -105.76 137.64 43.29 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 123.178 0.591 . . . . 125.17 111.292 173.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -154.61 30.9 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 116.955 1.542 . . . . 135.41 116.955 171.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.5 tp -88.62 -52.97 4.87 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 113.836 1.051 . . . . 161.78 113.836 -172.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -102.93 152.59 21.13 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.424 0.452 . . . . 165.27000000000001 110.809 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 151.13999999999999 110.179 179.637 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' UNX . . . . . 0.758 'UNK ' ' OH ' ' A' ' 7' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 112.498 0.555 . . . . 98.620000000000005 112.498 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' ASN . . . . . . . . . . . . . 6.2 t30 41.3 64.21 1.07 Allowed 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 122.912 1.339 . . . . 86.180000000000007 113.387 -170.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.03 141.86 31.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.981 -1.463 . . . . 62.409999999999997 109.323 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -140.6 144.19 35.67 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 107.07 -1.455 . . . . 65.090000000000003 107.07 -177.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -106.74 134.55 49.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 109.27 -0.641 . . . . 58.130000000000003 109.27 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -92.34 111.51 23.11 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.996 -1.483 . . . . 74.129999999999995 106.996 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -88.05 174.72 44.26 Favored Glycine 0 C--N 1.335 0.515 0 O-C-N 124.215 0.947 . . . . 68.409999999999997 111.204 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.741 0.645 . . . . 75.760000000000005 112.741 -174.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -72.39 -12.43 61.11 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.065 1.135 . . . . 78.040000000000006 114.065 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.65 -13.9 59.55 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 121.786 -0.245 . . . . 76.909999999999997 113.131 -168.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.28 148.7 51.36 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 107.367 -1.346 . . . . 71.980000000000004 107.367 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.0 mt -96.7 135.7 38.26 Favored 'General case' 0 C--O 1.261 1.691 0 C-N-CA 122.765 0.426 . . . . 54.920000000000002 110.514 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.758 ' OH ' 'UNK ' ' A' ' 108' ' ' UNX . 45.2 m-85 -117.72 129.11 55.51 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 107.502 -1.296 . . . . 58.340000000000003 107.502 -178.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -71.46 131.23 43.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.622 -0.717 . . . . 74.390000000000001 111.904 -175.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -96.3 128.37 47.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 N-CA-C 107.626 -1.25 . . . . 40.229999999999997 107.626 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -72.19 -53.25 13.21 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 109.676 -0.49 . . . . 74.269999999999996 109.676 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ptt85 -163.98 166.2 21.81 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 113.077 0.769 . . . . 56.859999999999999 113.077 170.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mm -87.59 123.69 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.592 -1.262 . . . . 44.039999999999999 107.592 172.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.43 -32.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 116.179 -0.464 . . . . 40.609999999999999 110.629 -175.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -167.28 173.9 8.56 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 106.906 -1.516 . . . . 42.07 106.906 -174.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -145.3 144.04 30.53 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.025 -1.472 . . . . 65.530000000000001 107.025 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -151.01 157.24 42.62 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.382 0.611 . . . . 42.32 110.304 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -92.86 128.08 38.59 Favored 'General case' 0 CA--C 1.493 -1.239 0 N-CA-C 107.057 -1.461 . . . . 57.130000000000003 107.057 168.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -82.13 175.13 10.58 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.128 -0.629 . . . . 46.710000000000001 112.499 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -73.67 -11.02 60.28 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 112.568 0.581 . . . . 56.369999999999997 112.568 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -90.91 -3.83 57.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 119.493 -0.883 . . . . 71.75 111.321 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 12.65 54.72 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 123.027 0.346 . . . . 51.039999999999999 112.458 174.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -112.13 150.68 30.43 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 107.475 -1.305 . . . . 62.799999999999997 107.475 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -79.79 138.63 37.3 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 113.876 1.065 . . . . 52.600000000000001 113.876 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -129.42 152.54 48.86 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.795 -0.817 . . . . 43.5 108.795 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -118.23 145.23 45.16 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.329 1.018 . . . . 63.689999999999998 111.294 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -92.89 118.15 30.82 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 103.999 -2.593 . . . . 36.950000000000003 103.999 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.0 mm -106.19 127.1 61.66 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.366 0 CA-C-N 115.904 -0.589 . . . . 33.170000000000002 109.832 -167.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -85.31 115.29 22.98 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 123.986 0.804 . . . . 43.979999999999997 109.77 162.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -84.25 139.32 32.43 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 121.989 -0.445 . . . . 38.43 110.147 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -58.62 126.91 29.6 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.504 -0.924 . . . . 57.229999999999997 108.504 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.33 -4.71 80.62 Favored Glycine 0 CA--C 1.504 -0.642 0 N-CA-C 115.914 1.126 . . . . 44.75 115.914 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' HD1' ' HG3' ' A' ' 36' ' ' GLU . 72.1 m-85 -117.3 165.68 13.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.238 1.015 . . . . 44.189999999999998 111.981 -176.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.48 -179.53 24.79 Favored Glycine 0 CA--C 1.498 -0.974 0 CA-C-N 115.508 -0.769 . . . . 45.539999999999999 112.514 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -59.42 -23.27 62.51 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 114.234 1.198 . . . . 51.710000000000001 114.234 -177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 p -63.61 -26.84 68.87 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.814 -1.179 . . . . 62.399999999999999 112.336 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 68.5 mm-40 -96.0 6.42 48.9 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 114.551 1.315 . . . . 84.359999999999999 114.551 -179.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -62.73 136.29 57.79 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 108.955 -0.757 . . . . 35.920000000000002 108.955 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -138.27 150.6 46.83 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 119.927 -0.709 . . . . 43.869999999999997 111.305 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -84.16 124.01 30.69 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 108.459 -0.941 . . . . 38.259999999999998 108.459 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -129.76 147.79 66.83 Favored Pre-proline 0 CA--C 1.492 -1.252 0 CA-C-N 118.077 0.399 . . . . 39.340000000000003 111.109 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.47 139.83 55.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 121.695 1.597 . . . . 44.509999999999998 113.969 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -63.86 -26.97 68.85 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.277 0.843 . . . . 62.090000000000003 113.277 -176.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 119.567 -0.853 . . . . 71.030000000000001 112.319 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 -5.19 42.28 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 115.055 1.502 . . . . 86.75 115.055 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . . . -89.3 128.66 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.818 -1.178 . . . . 51.850000000000001 107.818 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.9 mt -117.44 149.34 40.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.132 0.491 . . . . 61.789999999999999 111.357 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -111.11 120.14 41.33 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.089 -1.819 . . . . 77.730000000000004 106.089 169.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.87 123.54 47.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 117.796 0.271 . . . . 62.0 110.88 179.757 -56.501 0.0 0.0 0.0 0.0 0.0 0.0 -56.501 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -119.39 155.4 32.03 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.319 -0.623 . . . . 64.930000000000007 109.319 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -48.31 139.31 8.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 107.703 -1.221 . . . . 104.18000000000001 107.703 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -70.11 136.08 49.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.802 -0.635 . . . . 81.829999999999998 110.02 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.7 mm -123.9 120.21 59.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 N-CA-C 108.496 -0.927 . . . . 100.95999999999999 108.496 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.1 131.04 40.93 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.039 -1.437 . . . . 115.40000000000001 108.865 -170.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . . . -44.03 -49.95 8.54 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.285 0.366 . . . . 132.25999999999999 110.938 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -96.59 63.66 2.09 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.699 -0.682 . . . . 135.94999999999999 110.815 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . . . -105.76 137.64 43.29 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 123.178 0.591 . . . . 125.17 111.292 173.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -154.61 30.9 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 116.955 1.542 . . . . 135.41 116.955 171.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.5 tp -88.62 -52.97 4.87 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 113.836 1.051 . . . . 161.78 113.836 -172.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -102.93 152.59 21.13 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.424 0.452 . . . . 165.27000000000001 110.809 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 151.13999999999999 110.179 179.637 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' UNX . . . . . 0.758 'UNK ' ' OH ' ' A' ' 7' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_