data_3m0s_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 3m0s _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 . . . . . . . . . . . . . 13.7 pttm . . . . . 0 N--CA 1.503 2.183 0 N-CA-C 109.569 -0.53 . . . . 46.79 109.569 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -132.44 119.46 20.66 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.387 -2.079 . . . . 57.46 105.387 160.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -103.76 151.17 23.35 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 113.665 -1.607 . . . . 23.36 108.91 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.76 156.8 41.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 C-N-CA 119.055 -1.058 . . . . 23.9 109.611 169.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.0 tp -105.05 128.2 53.22 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 115.148 -0.933 . . . . 28.4 108.952 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.55 120.45 16.2 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-N 119.084 0.856 . . . . 18.96 109.193 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.34 -24.13 29.9 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 118.74 -0.648 . . . . 30.73 111.433 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -140.85 158.16 44.35 Favored 'General case' 0 C--O 1.255 1.359 0 C-N-CA 125.034 1.334 . . . . 35.91 111.196 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -66.86 147.12 53.66 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 119.195 -1.002 . . . . 35.32 108.679 167.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -143.3 124.46 14.52 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.558 -0.904 . . . . 21.57 108.558 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -104.86 132.73 50.74 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 118.646 -1.222 . . . . 69.55 110.034 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.86 137.14 57.92 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.96 -1.019 . . . . 33.05 111.58 -174.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -120.55 -2.76 9.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.222 0.951 . . . . 54.28 110.721 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -147.06 167.35 13.82 Favored Pre-proline 0 C--O 1.243 0.755 0 O-C-N 121.808 -0.558 . . . . 33.67 109.864 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -65.78 -27.04 52.22 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 N-CA-C 114.684 0.994 . . . . 27.0 114.684 -172.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -86.6 -3.81 59.08 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 125.674 1.859 . . . . 50.61 112.787 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -94.23 164.0 13.22 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 121.652 0.739 . . . . 23.68 112.338 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.8 p -130.44 162.66 37.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.074 -1.084 . . . . 28.05 108.074 174.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -99.17 140.56 33.15 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 122.684 0.394 . . . . 23.88 111.507 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -137.45 158.89 43.42 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.126 0.891 . . . . 22.66 110.992 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -110.83 146.36 36.58 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.135 -0.484 . . . . 60.05 111.594 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -51.61 130.56 28.37 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.703 -0.623 . . . . 54.15 109.665 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.84 -5.06 66.28 Favored Glycine 0 CA--C 1.526 0.745 0 O-C-N 125.669 1.855 . . . . 20.58 112.496 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -71.54 147.68 47.45 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.571 2.129 . . . . 21.48 107.692 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 48.9 mm -108.34 118.13 55.32 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 106.635 -1.617 . . . . 24.25 106.635 177.121 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . 0.651 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.09 148.71 41.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.696 -0.401 . . . . 39.06 111.398 -172.02 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -86.74 127.26 34.97 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 106.349 -1.723 . . . . 26.36 106.349 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.1 tp -84.42 127.99 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.167 0.917 . . . . 21.8 109.344 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -109.41 -33.78 6.72 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.805 -0.616 . . . . 26.62 112.017 -175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -159.57 119.66 3.03 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 119.549 -0.86 . . . . 23.62 110.401 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.4 p -116.89 28.02 8.79 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 125.273 1.608 . . . . 21.9 112.634 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -72.53 -27.94 62.55 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 120.584 -0.446 . . . . 21.96 111.833 -177.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -83.53 138.62 33.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.854 -0.529 . . . . 21.45 111.286 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -76.3 -21.93 55.64 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 116.396 -2.122 . . . . 50.2 114.806 -177.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -102.49 -28.87 11.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.548 1.314 . . . . 30.32 114.548 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -135.15 121.98 21.03 Favored 'General case' 0 C--O 1.191 -1.986 0 N-CA-C 109.791 -0.448 . . . . 24.4 109.791 -171.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 m0 -109.78 142.96 40.29 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 110.053 -0.351 . . . . 21.63 110.053 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -92.5 129.46 38.43 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.665 . . . . 42.26 103.806 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.85 164.99 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 124.234 0.959 . . . . 19.0 110.653 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -116.08 126.59 53.95 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.457 -1.683 . . . . 40.91 106.457 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.31 120.25 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 N-CA-C 103.46 -2.793 . . . . 38.17 103.46 -172.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 27.2 -95.42 0.01 OUTLIER 'General case' 0 C--O 1.238 0.458 0 CA-C-O 117.501 -1.238 . . . . 62.75 114.288 -151.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 81' ' ' HOH . 38.5 m-20 -109.12 6.29 24.76 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 115.88 1.807 . . . . 74.13 115.88 -173.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -117.45 151.65 36.65 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 117.136 -1.412 . . . . 47.85 107.446 -175.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -121.36 140.57 51.94 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.939 0.79 . . . . 46.48 110.73 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.61 -169.4 42.14 Favored Glycine 0 C--O 1.21 -1.405 0 C-N-CA 116.934 -2.555 . . . . 18.52 107.609 172.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -97.37 143.31 28.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.599 0.963 . . . . 25.03 113.599 -172.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.46 165.38 37.15 Favored Pre-proline 0 N--CA 1.477 0.894 0 N-CA-C 107.378 -1.342 . . . . 18.83 107.378 167.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.67 131.24 25.42 Favored 'Trans proline' 0 CA--C 1.506 -0.904 0 CA-C-O 121.967 0.736 . . . . 19.18 111.775 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.33 73.87 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 115.657 -0.701 . . . . 17.3 110.661 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.03 63.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 118.301 -1.36 . . . . 22.05 112.664 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -88.0 3.65 48.01 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 115.009 1.485 . . . . 29.82 115.009 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.67 160.02 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 119.407 -0.917 . . . . 25.32 108.527 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -129.09 126.23 38.93 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.178 -1.416 . . . . 69.61 107.178 -177.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -64.87 141.43 58.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.796 -0.816 . . . . 55.31 108.796 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.49 -17.6 15.7 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 116.727 2.121 . . . . 45.63 116.727 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.25 1.093 0 N-CA-C 112.828 0.677 . . . . 67.52 112.828 178.842 . . . . . . . . 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 . . . . . 0.555 ' O ' ' N ' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 pttm . . . . . 0 N--CA 1.503 2.183 0 N-CA-C 109.569 -0.53 . . . . 46.789999999999999 109.569 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -132.44 119.46 20.66 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.387 -2.079 . . . . 57.460000000000001 105.387 160.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -103.76 151.17 23.35 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 113.665 -1.607 . . . . 23.359999999999999 108.91 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 60' ' ' LYS . 29.1 m -133.76 156.8 41.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 C-N-CA 119.055 -1.058 . . . . 23.899999999999999 109.611 169.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.0 tp -105.05 128.2 53.22 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 115.148 -0.933 . . . . 28.399999999999999 108.952 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.55 120.45 16.2 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-N 119.084 0.856 . . . . 18.960000000000001 109.193 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.34 -24.13 29.9 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 118.74 -0.648 . . . . 30.73 111.433 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -140.85 158.16 44.35 Favored 'General case' 0 C--O 1.255 1.359 0 C-N-CA 125.034 1.334 . . . . 35.909999999999997 111.196 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -66.86 147.12 53.66 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 119.195 -1.002 . . . . 35.32 108.679 167.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -143.3 124.46 14.52 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.558 -0.904 . . . . 21.57 108.558 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -104.86 132.73 50.74 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 118.646 -1.222 . . . . 69.549999999999997 110.034 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.86 137.14 57.92 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.96 -1.019 . . . . 33.049999999999997 111.58 -174.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -120.55 -2.76 9.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.222 0.951 . . . . 54.280000000000001 110.721 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -147.06 167.35 13.82 Favored Pre-proline 0 C--O 1.243 0.755 0 O-C-N 121.808 -0.558 . . . . 33.670000000000002 109.864 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -65.78 -27.04 52.22 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 N-CA-C 114.684 0.994 . . . . 27.0 114.684 -172.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -86.6 -3.81 59.08 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 125.674 1.859 . . . . 50.609999999999999 112.787 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -94.23 164.0 13.22 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 121.652 0.739 . . . . 23.68 112.338 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.8 p -130.44 162.66 37.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.074 -1.084 . . . . 28.050000000000001 108.074 174.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -99.17 140.56 33.15 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 122.684 0.394 . . . . 23.879999999999999 111.507 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -137.45 158.89 43.42 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.126 0.891 . . . . 22.66 110.992 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -110.83 146.36 36.58 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.135 -0.484 . . . . 60.049999999999997 111.594 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -51.61 130.56 28.37 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.703 -0.623 . . . . 54.149999999999999 109.665 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.84 -5.06 66.28 Favored Glycine 0 CA--C 1.526 0.745 0 O-C-N 125.669 1.855 . . . . 20.579999999999998 112.496 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -71.54 147.68 47.45 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.571 2.129 . . . . 21.48 107.692 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.895 ' C ' HD23 ' A' ' 31' ' ' LEU . 48.9 mm -108.34 118.13 55.32 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 106.635 -1.617 . . . . 24.25 106.635 177.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.09 148.71 41.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.696 -0.401 . . . . 39.060000000000002 111.398 -172.02 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -86.74 127.26 34.97 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 106.349 -1.723 . . . . 26.359999999999999 106.349 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.1 tp -84.42 127.99 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.167 0.917 . . . . 21.800000000000001 109.344 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -109.41 -33.78 6.72 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.805 -0.616 . . . . 26.620000000000001 112.017 -175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -159.57 119.66 3.03 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 119.549 -0.86 . . . . 23.620000000000001 110.401 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.4 p -116.89 28.02 8.79 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 125.273 1.608 . . . . 21.899999999999999 112.634 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -72.53 -27.94 62.55 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 120.584 -0.446 . . . . 21.960000000000001 111.833 -177.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -83.53 138.62 33.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.854 -0.529 . . . . 21.449999999999999 111.286 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -76.3 -21.93 55.64 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 116.396 -2.122 . . . . 50.200000000000003 114.806 -177.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -102.49 -28.87 11.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.548 1.314 . . . . 30.32 114.548 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -135.15 121.98 21.03 Favored 'General case' 0 C--O 1.191 -1.986 0 N-CA-C 109.791 -0.448 . . . . 24.399999999999999 109.791 -171.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 m0 -109.78 142.96 40.29 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 110.053 -0.351 . . . . 21.629999999999999 110.053 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -92.5 129.46 38.43 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.665 . . . . 42.259999999999998 103.806 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.85 164.99 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 124.234 0.959 . . . . 19.0 110.653 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -116.08 126.59 53.95 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.457 -1.683 . . . . 40.909999999999997 106.457 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.31 120.25 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 N-CA-C 103.46 -2.793 . . . . 38.170000000000002 103.46 -172.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 27.2 -95.42 0.01 OUTLIER 'General case' 0 C--O 1.238 0.458 0 CA-C-O 117.501 -1.238 . . . . 62.75 114.288 -151.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.745 ' HB2' ' O ' ' A' ' 81' ' ' HOH . 38.5 m-20 -109.12 6.29 24.76 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 115.88 1.807 . . . . 74.129999999999995 115.88 -173.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -117.45 151.65 36.65 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 117.136 -1.412 . . . . 47.850000000000001 107.446 -175.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -121.36 140.57 51.94 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.939 0.79 . . . . 46.479999999999997 110.73 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.61 -169.4 42.14 Favored Glycine 0 C--O 1.21 -1.405 0 C-N-CA 116.934 -2.555 . . . . 18.52 107.609 172.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -97.37 143.31 28.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.599 0.963 . . . . 25.030000000000001 113.599 -172.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.46 165.38 37.15 Favored Pre-proline 0 N--CA 1.477 0.894 0 N-CA-C 107.378 -1.342 . . . . 18.829999999999998 107.378 167.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.67 131.24 25.42 Favored 'Trans proline' 0 CA--C 1.506 -0.904 0 CA-C-O 121.967 0.736 . . . . 19.18 111.775 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.33 73.87 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 115.657 -0.701 . . . . 17.300000000000001 110.661 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.03 63.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 118.301 -1.36 . . . . 22.050000000000001 112.664 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -88.0 3.65 48.01 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 115.009 1.485 . . . . 29.82 115.009 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.67 160.02 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 119.407 -0.917 . . . . 25.32 108.527 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -129.09 126.23 38.93 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.178 -1.416 . . . . 69.609999999999999 107.178 -177.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HA ' HG12 ' A' ' 9' ' ' VAL . 62.4 mttt -64.87 141.43 58.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.796 -0.816 . . . . 55.310000000000002 108.796 177.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.49 -17.6 15.7 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 116.727 2.121 . . . . 45.630000000000003 116.727 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.25 1.093 0 N-CA-C 112.828 0.677 . . . . 67.519999999999996 112.828 178.842 . . . . . . . . 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 . . . . . 0.745 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 pttm . . . . . 0 N--CA 1.503 2.183 0 N-CA-C 109.569 -0.53 . . . . 46.789999999999999 109.569 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -132.44 119.46 20.66 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 105.387 -2.079 . . . . 57.460000000000001 105.387 160.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -103.76 151.17 23.35 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 113.665 -1.607 . . . . 23.359999999999999 108.91 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 60' ' ' LYS . 29.1 m -133.76 156.8 41.73 Favored 'Isoleucine or valine' 0 C--O 1.248 1.012 0 C-N-CA 119.055 -1.058 . . . . 23.899999999999999 109.611 169.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.0 tp -105.05 128.2 53.22 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 115.148 -0.933 . . . . 28.399999999999999 108.952 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.55 120.45 16.2 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-N 119.084 0.856 . . . . 18.960000000000001 109.193 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.34 -24.13 29.9 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 118.74 -0.648 . . . . 30.73 111.433 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -140.85 158.16 44.35 Favored 'General case' 0 C--O 1.255 1.359 0 C-N-CA 125.034 1.334 . . . . 35.909999999999997 111.196 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -66.86 147.12 53.66 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 119.195 -1.002 . . . . 35.32 108.679 167.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -143.3 124.46 14.52 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.558 -0.904 . . . . 21.57 108.558 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -104.86 132.73 50.74 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 118.646 -1.222 . . . . 69.549999999999997 110.034 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.86 137.14 57.92 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.96 -1.019 . . . . 33.049999999999997 111.58 -174.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -120.55 -2.76 9.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.222 0.951 . . . . 54.280000000000001 110.721 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -147.06 167.35 13.82 Favored Pre-proline 0 C--O 1.243 0.755 0 O-C-N 121.808 -0.558 . . . . 33.670000000000002 109.864 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -65.78 -27.04 52.22 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 N-CA-C 114.684 0.994 . . . . 27.0 114.684 -172.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -86.6 -3.81 59.08 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 125.674 1.859 . . . . 50.609999999999999 112.787 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -94.23 164.0 13.22 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 121.652 0.739 . . . . 23.68 112.338 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.8 p -130.44 162.66 37.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.074 -1.084 . . . . 28.050000000000001 108.074 174.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -99.17 140.56 33.15 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 122.684 0.394 . . . . 23.879999999999999 111.507 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -137.45 158.89 43.42 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.126 0.891 . . . . 22.66 110.992 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -110.83 146.36 36.58 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.135 -0.484 . . . . 60.049999999999997 111.594 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -51.61 130.56 28.37 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.703 -0.623 . . . . 54.149999999999999 109.665 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.84 -5.06 66.28 Favored Glycine 0 CA--C 1.526 0.745 0 O-C-N 125.669 1.855 . . . . 20.579999999999998 112.496 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -71.54 147.68 47.45 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.571 2.129 . . . . 21.48 107.692 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.895 ' C ' HD23 ' A' ' 31' ' ' LEU . 48.9 mm -108.34 118.13 55.32 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 106.635 -1.617 . . . . 24.25 106.635 177.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.09 148.71 41.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.696 -0.401 . . . . 39.060000000000002 111.398 -172.02 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -86.74 127.26 34.97 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 106.349 -1.723 . . . . 26.359999999999999 106.349 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.1 tp -84.42 127.99 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.167 0.917 . . . . 21.800000000000001 109.344 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -109.41 -33.78 6.72 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.805 -0.616 . . . . 26.620000000000001 112.017 -175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -159.57 119.66 3.03 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 119.549 -0.86 . . . . 23.620000000000001 110.401 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.4 p -116.89 28.02 8.79 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 125.273 1.608 . . . . 21.899999999999999 112.634 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -72.53 -27.94 62.55 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 120.584 -0.446 . . . . 21.960000000000001 111.833 -177.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.547 HD22 ' H ' ' A' ' 41' ' ' TRP . 3.5 t30 -83.53 138.62 33.33 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.854 -0.529 . . . . 21.449999999999999 111.286 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -76.3 -21.93 55.64 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 116.396 -2.122 . . . . 50.200000000000003 114.806 -177.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 76.2 m-20 -102.49 -28.87 11.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.548 1.314 . . . . 30.32 114.548 -174.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.547 ' H ' HD22 ' A' ' 38' ' ' ASN . 94.9 m95 -135.15 121.98 21.03 Favored 'General case' 0 C--O 1.191 -1.986 0 N-CA-C 109.791 -0.448 . . . . 24.399999999999999 109.791 -171.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.3 m0 -109.78 142.96 40.29 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 110.053 -0.351 . . . . 21.629999999999999 110.053 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -92.5 129.46 38.43 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.665 . . . . 42.259999999999998 103.806 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.85 164.99 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 124.234 0.959 . . . . 19.0 110.653 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -116.08 126.59 53.95 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 106.457 -1.683 . . . . 40.909999999999997 106.457 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.31 120.25 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 N-CA-C 103.46 -2.793 . . . . 38.170000000000002 103.46 -172.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 27.2 -95.42 0.01 OUTLIER 'General case' 0 C--O 1.238 0.458 0 CA-C-O 117.501 -1.238 . . . . 62.75 114.288 -151.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.745 ' HB2' ' O ' ' A' ' 81' ' ' HOH . 38.5 m-20 -109.12 6.29 24.76 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 115.88 1.807 . . . . 74.129999999999995 115.88 -173.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -117.45 151.65 36.65 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-O 117.136 -1.412 . . . . 47.850000000000001 107.446 -175.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -121.36 140.57 51.94 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.939 0.79 . . . . 46.479999999999997 110.73 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.61 -169.4 42.14 Favored Glycine 0 C--O 1.21 -1.405 0 C-N-CA 116.934 -2.555 . . . . 18.52 107.609 172.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -97.37 143.31 28.24 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.599 0.963 . . . . 25.030000000000001 113.599 -172.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.46 165.38 37.15 Favored Pre-proline 0 N--CA 1.477 0.894 0 N-CA-C 107.378 -1.342 . . . . 18.829999999999998 107.378 167.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.67 131.24 25.42 Favored 'Trans proline' 0 CA--C 1.506 -0.904 0 CA-C-O 121.967 0.736 . . . . 19.18 111.775 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.33 73.87 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 115.657 -0.701 . . . . 17.300000000000001 110.661 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.03 63.93 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 118.301 -1.36 . . . . 22.050000000000001 112.664 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -88.0 3.65 48.01 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 115.009 1.485 . . . . 29.82 115.009 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.67 160.02 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 119.407 -0.917 . . . . 25.32 108.527 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -129.09 126.23 38.93 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.178 -1.416 . . . . 69.609999999999999 107.178 -177.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HA ' HG12 ' A' ' 9' ' ' VAL . 62.4 mttt -64.87 141.43 58.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.796 -0.816 . . . . 55.310000000000002 108.796 177.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.49 -17.6 15.7 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 116.727 2.121 . . . . 45.630000000000003 116.727 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.25 1.093 0 N-CA-C 112.828 0.677 . . . . 67.519999999999996 112.828 178.842 . . . . . . . . 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 . . . . . 0.745 ' O ' ' HB2' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 stop_ save_