data_3i9q_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 3i9q _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 ' 6' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 N--CA 1.521 3.114 0 N-CA-C 108.682 -0.858 . . . . 21.56 108.682 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -81.27 161.57 23.86 Favored 'General case' 0 C--O 1.262 1.728 0 N-CA-C 106.897 -1.52 . . . . 27.53 106.897 0.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.76 154.36 21.63 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 126.496 2.373 . . . . 10.82 110.958 -175.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 m -130.56 150.5 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 127.703 3.127 . . . . 12.34 107.424 171.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 tp -96.25 129.89 43.46 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 110.559 -3.019 . . . . 14.05 110.852 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.71 115.61 8.28 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.113 2.758 . . . . 10.83 111.952 168.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.51 -24.98 39.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.081 -0.508 . . . . 14.87 110.846 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -149.03 158.22 44.01 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 103.654 -2.721 . . . . 15.26 103.654 -171.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.85 146.85 44.92 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 125.478 1.511 . . . . 19.27 112.05 163.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -146.82 121.94 10.13 Favored 'General case' 0 C--O 1.26 1.612 0 O-C-N 121.445 -0.785 . . . . 14.45 110.381 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -100.19 124.63 45.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.895 -0.78 . . . . 28.07 108.895 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -56.81 137.11 55.24 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 123.216 1.484 . . . . 25.21 110.602 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -130.32 28.09 5.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 112.011 -2.359 . . . . 31.02 109.894 -177.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.48 160.6 25.44 Favored Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.94 1.536 . . . . 22.5 116.94 173.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.8 -28.42 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 116.546 2.054 . . . . 31.84 116.546 -172.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -94.56 0.34 55.15 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 119.128 -1.029 . . . . 23.02 112.286 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -93.81 172.68 8.09 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.278 -1.514 . . . . 15.26 109.278 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.59 151.3 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.516 -1.22 . . . . 13.78 109.442 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' NH2' ' A' ' 49' ' ' ARG . 98.2 m -87.27 140.94 29.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 115.712 1.745 . . . . 16.23 115.712 175.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -146.0 153.84 41.22 Favored 'General case' 0 C--O 1.266 1.963 0 CA-C-O 122.83 1.3 . . . . 17.24 111.913 176.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -102.77 139.09 38.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.511 1.924 . . . . 36.49 112.041 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -45.87 131.53 9.42 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 121.777 -0.577 . . . . 28.07 110.51 170.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.74 60.57 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 117.405 -2.331 . . . . 8.79 113.045 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -63.68 151.81 40.82 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 105.257 -2.127 . . . . 13.06 105.257 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -110.34 111.2 35.12 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 105.63 -1.989 . . . . 9.83 105.63 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -108.14 146.46 32.66 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.681 0.753 . . . . 18.54 109.695 -174.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -81.45 129.63 34.72 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.375 -1.453 . . . . 10.25 110.186 169.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 tp -86.55 124.99 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 127.051 2.719 . . . . 11.13 104.942 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -96.91 -38.3 9.88 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.703 -1.589 . . . . 12.11 113.925 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -160.85 122.51 3.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.325 -0.95 . . . . 10.35 108.608 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.0 p -121.02 22.16 11.1 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.683 1.865 . . . . 8.4 111.966 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.3 p -65.2 -27.79 68.93 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 119.359 -2.088 . . . . 10.17 114.173 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -90.9 140.53 29.73 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.446 -0.784 . . . . 7.82 110.716 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -71.64 -20.78 61.92 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 118.018 -0.992 . . . . 33.84 112.05 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -107.95 -34.54 6.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 121.498 1.954 . . . . 13.34 111.064 -170.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -132.53 122.8 25.39 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 121.191 -0.943 . . . . 9.88 108.688 -168.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -110.94 137.92 47.98 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.563 0.619 . . . . 11.77 110.039 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.92 125.83 32.4 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 115.414 -2.231 . . . . 16.07 112.971 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -137.99 155.71 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.119 0 CA-C-O 127.645 3.593 . . . . 11.3 107.625 -174.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.69 132.08 51.36 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 110.378 -3.101 . . . . 24.08 107.35 174.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.84 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 104.79 -2.3 . . . . 25.54 104.79 170.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 66.25 -118.12 0.3 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 120.042 1.292 . . . . 31.31 109.044 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.62 -0.41 57.5 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.885 1.439 . . . . 22.11 114.885 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 24' ' ' THR . 31.7 mtm105 -113.29 148.27 35.95 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 123.507 1.622 . . . . 33.73 110.077 -175.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -136.47 156.33 48.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.598 2.142 . . . . 27.85 105.946 170.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.66 -169.53 38.69 Favored Glycine 0 N--CA 1.477 1.429 0 O-C-N 120.327 -1.483 . . . . 9.89 110.509 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.58 142.71 27.13 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 120.265 -1.726 . . . . 16.95 115.534 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -132.32 161.63 61.84 Favored Pre-proline 0 N--CA 1.482 1.172 0 N-CA-C 106.612 -1.625 . . . . 9.9 106.612 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -65.36 131.86 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 CA-C-O 117.258 -1.226 . . . . 9.65 113.624 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.4 69.71 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.222 1.009 . . . . 8.09 110.168 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -18.78 65.57 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.191 0.905 . . . . 8.67 112.205 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -98.52 9.31 43.47 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 117.139 -1.41 . . . . 11.71 112.498 -169.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -137.97 143.78 32.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 105.542 -2.022 . . . . 12.99 105.542 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -115.87 131.26 56.99 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.207 -1.035 . . . . 26.98 108.207 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -64.04 134.16 54.45 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 107.71 -1.219 . . . . 15.18 107.71 174.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.23 133.28 36.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 120.924 -1.11 . . . . 13.46 109.324 173.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 114.002 1.112 . . . . 35.02 114.002 173.789 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.702 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 20.7 mmtp . . . . . 0 N--CA 1.521 3.114 0 N-CA-C 108.682 -0.858 . . . . 21.559999999999999 108.682 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.702 ' HA ' ' HB3' ' A' ' 6' ' ' LYS . 8.4 pt-20 -81.27 161.57 23.86 Favored 'General case' 0 C--O 1.262 1.728 0 N-CA-C 106.897 -1.52 . . . . 27.530000000000001 106.897 0.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.76 154.36 21.63 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 126.496 2.373 . . . . 10.82 110.958 -175.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 60' ' ' LYS . 15.1 m -130.56 150.5 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 127.703 3.127 . . . . 12.34 107.424 171.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 tp -96.25 129.89 43.46 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 110.559 -3.019 . . . . 14.050000000000001 110.852 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.71 115.61 8.28 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.113 2.758 . . . . 10.83 111.952 168.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.51 -24.98 39.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.081 -0.508 . . . . 14.869999999999999 110.846 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -149.03 158.22 44.01 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 103.654 -2.721 . . . . 15.26 103.654 -171.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.85 146.85 44.92 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 125.478 1.511 . . . . 19.27 112.05 163.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -146.82 121.94 10.13 Favored 'General case' 0 C--O 1.26 1.612 0 O-C-N 121.445 -0.785 . . . . 14.449999999999999 110.381 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -100.19 124.63 45.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.895 -0.78 . . . . 28.07 108.895 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -56.81 137.11 55.24 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 123.216 1.484 . . . . 25.210000000000001 110.602 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -130.32 28.09 5.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 112.011 -2.359 . . . . 31.02 109.894 -177.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.48 160.6 25.44 Favored Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.94 1.536 . . . . 22.5 116.94 173.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.8 -28.42 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 116.546 2.054 . . . . 31.84 116.546 -172.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -94.56 0.34 55.15 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 119.128 -1.029 . . . . 23.02 112.286 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -93.81 172.68 8.09 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.278 -1.514 . . . . 15.26 109.278 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.59 151.3 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.516 -1.22 . . . . 13.779999999999999 109.442 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . 0.544 ' H ' HH12 ' A' ' 49' ' ' ARG . 98.2 m -87.27 140.94 29.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 115.712 1.745 . . . . 16.23 115.712 175.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -146.0 153.84 41.22 Favored 'General case' 0 C--O 1.266 1.963 0 CA-C-O 122.83 1.3 . . . . 17.239999999999998 111.913 176.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -102.77 139.09 38.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.511 1.924 . . . . 36.490000000000002 112.041 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -45.87 131.53 9.42 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 121.777 -0.577 . . . . 28.07 110.51 170.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.74 60.57 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 117.405 -2.331 . . . . 8.7899999999999991 113.045 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -63.68 151.81 40.82 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 105.257 -2.127 . . . . 13.06 105.257 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -110.34 111.2 35.12 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 105.63 -1.989 . . . . 9.8300000000000001 105.63 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' HG13 ' A' ' 46' ' ' VAL . 16.5 mt -108.14 146.46 32.66 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.681 0.753 . . . . 18.539999999999999 109.695 -174.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -81.45 129.63 34.72 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.375 -1.453 . . . . 10.25 110.186 169.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 tp -86.55 124.99 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 127.051 2.719 . . . . 11.130000000000001 104.942 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -96.91 -38.3 9.88 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.703 -1.589 . . . . 12.109999999999999 113.925 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -160.85 122.51 3.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.325 -0.95 . . . . 10.35 108.608 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.0 p -121.02 22.16 11.1 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.683 1.865 . . . . 8.4000000000000004 111.966 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.3 p -65.2 -27.79 68.93 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 119.359 -2.088 . . . . 10.17 114.173 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -90.9 140.53 29.73 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.446 -0.784 . . . . 7.8200000000000003 110.716 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -71.64 -20.78 61.92 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 118.018 -0.992 . . . . 33.840000000000003 112.05 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -107.95 -34.54 6.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 121.498 1.954 . . . . 13.34 111.064 -170.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -132.53 122.8 25.39 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 121.191 -0.943 . . . . 9.8800000000000008 108.688 -168.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CH2' ' HE3' ' A' ' 60' ' ' LYS . 39.8 m0 -110.94 137.92 47.98 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.563 0.619 . . . . 11.77 110.039 178.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.92 125.83 32.4 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 115.414 -2.231 . . . . 16.07 112.971 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -137.99 155.71 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.119 0 CA-C-O 127.645 3.593 . . . . 11.300000000000001 107.625 -174.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.69 132.08 51.36 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 110.378 -3.101 . . . . 24.079999999999998 107.35 174.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG13 ' CD2' ' A' ' 31' ' ' LEU . 2.1 t -122.84 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 104.79 -2.3 . . . . 25.539999999999999 104.79 170.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 66.25 -118.12 0.3 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 120.042 1.292 . . . . 31.309999999999999 109.044 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.62 -0.41 57.5 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.885 1.439 . . . . 22.109999999999999 114.885 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . 0.544 HH12 ' H ' ' A' ' 24' ' ' THR . 31.7 mtm105 -113.29 148.27 35.95 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 123.507 1.622 . . . . 33.729999999999997 110.077 -175.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -136.47 156.33 48.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.598 2.142 . . . . 27.850000000000001 105.946 170.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.66 -169.53 38.69 Favored Glycine 0 N--CA 1.477 1.429 0 O-C-N 120.327 -1.483 . . . . 9.8900000000000006 110.509 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.58 142.71 27.13 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 120.265 -1.726 . . . . 16.949999999999999 115.534 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -132.32 161.63 61.84 Favored Pre-proline 0 N--CA 1.482 1.172 0 N-CA-C 106.612 -1.625 . . . . 9.9000000000000004 106.612 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -65.36 131.86 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 CA-C-O 117.258 -1.226 . . . . 9.6500000000000004 113.624 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.4 69.71 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.222 1.009 . . . . 8.0899999999999999 110.168 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -18.78 65.57 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.191 0.905 . . . . 8.6699999999999999 112.205 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -98.52 9.31 43.47 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 117.139 -1.41 . . . . 11.710000000000001 112.498 -169.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -137.97 143.78 32.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 105.542 -2.022 . . . . 12.99 105.542 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -115.87 131.26 56.99 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.207 -1.035 . . . . 26.98 108.207 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HE3' ' CH2' ' A' ' 42' ' ' TRP . 95.4 mttt -64.04 134.16 54.45 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 107.71 -1.219 . . . . 15.18 107.71 174.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.23 133.28 36.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 120.924 -1.11 . . . . 13.460000000000001 109.324 173.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 114.002 1.112 . . . . 35.020000000000003 114.002 173.789 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.702 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 20.7 mmtp . . . . . 0 N--CA 1.521 3.114 0 N-CA-C 108.682 -0.858 . . . . 21.56 108.682 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.702 ' HA ' ' HB3' ' A' ' 6' ' ' LYS . 8.4 pt-20 -81.27 161.57 23.86 Favored 'General case' 0 C--O 1.262 1.728 0 N-CA-C 106.897 -1.52 . . . . 27.53 106.897 0.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.76 154.36 21.63 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 126.496 2.373 . . . . 10.82 110.958 -175.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 60' ' ' LYS . 15.1 m -130.56 150.5 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 127.703 3.127 . . . . 12.34 107.424 171.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 tp -96.25 129.89 43.46 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 110.559 -3.019 . . . . 14.05 110.852 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.71 115.61 8.28 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.113 2.758 . . . . 10.83 111.952 168.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.51 -24.98 39.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.081 -0.508 . . . . 14.87 110.846 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -149.03 158.22 44.01 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 103.654 -2.721 . . . . 15.26 103.654 -171.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.85 146.85 44.92 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 125.478 1.511 . . . . 19.27 112.05 163.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -146.82 121.94 10.13 Favored 'General case' 0 C--O 1.26 1.612 0 O-C-N 121.445 -0.785 . . . . 14.45 110.381 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -100.19 124.63 45.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.895 -0.78 . . . . 28.07 108.895 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -56.81 137.11 55.24 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 123.216 1.484 . . . . 25.21 110.602 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -130.32 28.09 5.0 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 112.011 -2.359 . . . . 31.02 109.894 -177.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.48 160.6 25.44 Favored Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.94 1.536 . . . . 22.5 116.94 173.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.8 -28.42 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 116.546 2.054 . . . . 31.84 116.546 -172.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -94.56 0.34 55.15 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 119.128 -1.029 . . . . 23.02 112.286 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -93.81 172.68 8.09 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 120.278 -1.514 . . . . 15.26 109.278 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.59 151.3 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.516 -1.22 . . . . 13.78 109.442 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . 0.544 ' H ' HH12 ' A' ' 49' ' ' ARG . 98.2 m -87.27 140.94 29.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 115.712 1.745 . . . . 16.23 115.712 175.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -146.0 153.84 41.22 Favored 'General case' 0 C--O 1.266 1.963 0 CA-C-O 122.83 1.3 . . . . 17.24 111.913 176.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -102.77 139.09 38.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.511 1.924 . . . . 36.49 112.041 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -45.87 131.53 9.42 Favored 'General case' 0 CA--C 1.552 1.044 0 O-C-N 121.777 -0.577 . . . . 28.07 110.51 170.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.06 -16.74 60.57 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 117.405 -2.331 . . . . 8.79 113.045 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -63.68 151.81 40.82 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 105.257 -2.127 . . . . 13.06 105.257 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mm -110.34 111.2 35.12 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 105.63 -1.989 . . . . 9.83 105.63 173.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' HG13 ' A' ' 46' ' ' VAL . 16.5 mt -108.14 146.46 32.66 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.681 0.753 . . . . 18.54 109.695 -174.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -81.45 129.63 34.72 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 120.375 -1.453 . . . . 10.25 110.186 169.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 tp -86.55 124.99 33.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 127.051 2.719 . . . . 11.13 104.942 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -96.91 -38.3 9.88 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.703 -1.589 . . . . 12.11 113.925 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -160.85 122.51 3.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.325 -0.95 . . . . 10.35 108.608 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.0 p -121.02 22.16 11.1 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.683 1.865 . . . . 8.4 111.966 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.3 p -65.2 -27.79 68.93 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 119.359 -2.088 . . . . 10.17 114.173 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -90.9 140.53 29.73 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.446 -0.784 . . . . 7.82 110.716 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -71.64 -20.78 61.92 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 118.018 -0.992 . . . . 33.84 112.05 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -107.95 -34.54 6.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 121.498 1.954 . . . . 13.34 111.064 -170.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -132.53 122.8 25.39 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 121.191 -0.943 . . . . 9.88 108.688 -168.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CH2' ' HE3' ' A' ' 60' ' ' LYS . 39.8 m0 -110.94 137.92 47.98 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.563 0.619 . . . . 11.77 110.039 178.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.92 125.83 32.4 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 115.414 -2.231 . . . . 16.07 112.971 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -137.99 155.71 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.119 0 CA-C-O 127.645 3.593 . . . . 11.3 107.625 -174.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.69 132.08 51.36 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 110.378 -3.101 . . . . 24.08 107.35 174.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG13 ' CD2' ' A' ' 31' ' ' LEU . 2.1 t -122.84 92.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 104.79 -2.3 . . . . 25.54 104.79 170.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 66.25 -118.12 0.3 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 120.042 1.292 . . . . 31.31 109.044 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.62 -0.41 57.5 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.885 1.439 . . . . 22.11 114.885 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.544 HH12 ' H ' ' A' ' 24' ' ' THR . 31.7 mtm105 -113.29 148.27 35.95 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 123.507 1.622 . . . . 33.73 110.077 -175.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -136.47 156.33 48.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.598 2.142 . . . . 27.85 105.946 170.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.66 -169.53 38.69 Favored Glycine 0 N--CA 1.477 1.429 0 O-C-N 120.327 -1.483 . . . . 9.89 110.509 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -94.58 142.71 27.13 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 120.265 -1.726 . . . . 16.95 115.534 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -132.32 161.63 61.84 Favored Pre-proline 0 N--CA 1.482 1.172 0 N-CA-C 106.612 -1.625 . . . . 9.9 106.612 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -65.36 131.86 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 CA-C-O 117.258 -1.226 . . . . 9.65 113.624 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.4 69.71 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.222 1.009 . . . . 8.09 110.168 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -18.78 65.57 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.191 0.905 . . . . 8.67 112.205 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -98.52 9.31 43.47 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 117.139 -1.41 . . . . 11.71 112.498 -169.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 m -137.97 143.78 32.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 105.542 -2.022 . . . . 12.99 105.542 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -115.87 131.26 56.99 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.207 -1.035 . . . . 26.98 108.207 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HE3' ' CH2' ' A' ' 42' ' ' TRP . 95.4 mttt -64.04 134.16 54.45 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 107.71 -1.219 . . . . 15.18 107.71 174.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.1 mt -93.23 133.28 36.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 120.924 -1.11 . . . . 13.46 109.324 173.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 114.002 1.112 . . . . 35.02 114.002 173.789 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_