data_3rmq_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 3rmq _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 ' 1' ' ' MSE . . . . . . . . . . . . . 17.7 ttt . . . . . 0 N--CA 1.506 2.339 0 CA-C-O 121.06 0.457 . . . . 61.020000000000003 111.011 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -75.58 153.37 37.39 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 118.315 -1.354 . . . . 21.640000000000001 108.586 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -69.91 -37.22 75.89 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.468 -0.493 . . . . 22.079999999999998 110.337 -176.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 139.27 53.45 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.074 -0.65 . . . . 23.140000000000001 110.056 -177.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -136.95 161.47 35.95 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 108.278 -1.008 . . . . 19.350000000000001 108.278 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -91.31 149.47 21.73 Favored 'General case' 0 C--O 1.253 1.25 0 CA-C-N 115.91 -0.586 . . . . 19.48 110.528 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -153.82 126.35 8.1 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 123.936 0.773 . . . . 19.899999999999999 109.841 172.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -77.41 135.32 38.3 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 108.03 -1.1 . . . . 16.57 108.03 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.51 141.55 2.99 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.307 -0.627 . . . . 18.739999999999998 109.307 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t0 54.06 41.73 31.9 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 114.969 -1.014 . . . . 48.700000000000003 112.159 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.9 88.28 Favored Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 117.255 1.662 . . . . 20.010000000000002 117.255 171.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -139.85 164.46 29.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 119.733 1.766 . . . . 39.229999999999997 110.317 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -93.29 105.3 17.39 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.366 -1.346 . . . . 22.140000000000001 107.366 173.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.95 175.2 6.73 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.924 -0.769 . . . . 16.260000000000002 108.924 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -119.48 141.79 37.84 Favored 'Isoleucine or valine' 0 C--O 1.269 2.089 0 N-CA-C 103.743 -2.688 . . . . 16.170000000000002 103.743 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -129.42 157.76 41.07 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.26 -1.376 . . . . 20.420000000000002 111.448 172.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -86.92 114.29 23.43 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 106.593 -1.632 . . . . 23.859999999999999 106.593 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.1 p -76.72 -6.68 53.17 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.061 -0.718 . . . . 19.52 109.061 -172.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -9.4 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 120.229 -0.588 . . . . 23.530000000000001 109.924 173.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -114.3 -33.15 5.73 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.639 0.977 . . . . 28.440000000000001 113.639 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -133.47 150.02 51.74 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 113.8 1.037 . . . . 27.73 113.8 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.21 127.82 56.07 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 106.05 -1.833 . . . . 60.960000000000001 106.05 166.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.25 143.99 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.955 1.094 . . . . 35.5 113.955 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -161.09 142.32 11.66 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.912 -1.144 . . . . 71.760000000000005 107.912 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 138.16 55.1 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 108.233 -1.025 . . . . 38.829999999999998 108.233 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.32 0.13 70.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 115.658 1.023 . . . . 41.18 115.658 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.03 131.61 21.88 Favored Pre-proline 0 C--O 1.237 0.431 0 N-CA-C 108.401 -0.963 . . . . 70.359999999999999 108.401 -179.47 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -72.83 149.01 47.15 Favored 'Trans proline' 0 C--O 1.245 0.845 0 O-C-N 122.724 0.855 . . . . 36.990000000000002 111.711 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -136.51 164.24 28.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 107.798 -1.186 . . . . 23.210000000000001 107.798 163.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -109.79 125.83 53.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.567 -1.642 . . . . 24.75 106.567 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 171.99 14.35 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-N 114.773 -1.103 . . . . 17.420000000000002 112.106 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.19 -26.35 66.28 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.944 -1.097 . . . . 22.420000000000002 110.265 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.9 p -80.09 -6.6 57.97 Favored 'General case' 0 C--O 1.253 1.284 0 O-C-N 121.154 -0.966 . . . . 22.440000000000001 111.033 -176.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.84 -10.14 66.17 Favored Glycine 0 C--O 1.217 -0.955 0 C-N-CA 119.44 -1.362 . . . . 25.649999999999999 116.124 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -75.75 132.84 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.862 -0.792 . . . . 40.32 108.862 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 m -92.75 120.46 33.16 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 106.233 -1.766 . . . . 30.43 106.233 169.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.72 161.51 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.004 -0.739 . . . . 23.170000000000002 109.004 -171.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.8 m -132.3 120.03 16.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 108.612 -0.884 . . . . 33.670000000000002 108.612 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.81 136.75 54.83 Favored 'Trans proline' 0 C--O 1.262 1.697 0 O-C-N 123.156 1.082 . . . . 25.07 110.67 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 192' ' ' HOH . 30.1 mm-40 -128.67 136.48 50.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.049 0.452 . . . . 55.719999999999999 109.788 -179.035 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.2 m -64.99 -35.59 81.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.066 -0.515 . . . . 24.699999999999999 111.596 -174.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -63.1 -22.59 66.96 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.54 0.57 . . . . 39.740000000000002 112.54 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -95.32 6.42 49.07 Favored 'General case' 0 C--O 1.268 2.069 0 CA-C-O 122.023 0.916 . . . . 30.41 112.181 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.61 14.11 82.35 Favored Glycine 0 C--O 1.259 1.697 0 CA-C-N 114.983 -1.008 . . . . 16.109999999999999 113.013 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.45 -21.49 61.95 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 113.773 1.027 . . . . 18.190000000000001 113.773 -171.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.47 12.71 36.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.224 -1.39 . . . . 26.300000000000001 113.358 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.3 m -127.18 106.52 9.3 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 107.301 -1.37 . . . . 34.020000000000003 107.301 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.11 66.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 118.938 -1.105 . . . . 22.699999999999999 110.619 -169.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.63 -14.47 64.96 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 119.452 -1.356 . . . . 28.359999999999999 113.84 173.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.7 mt -105.37 14.8 28.26 Favored 'General case' 0 C--O 1.258 1.513 0 O-C-N 121.545 -0.974 . . . . 34.75 111.925 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -79.09 94.92 5.42 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 121.03 -1.044 . . . . 17.719999999999999 110.976 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -104.82 -6.25 20.42 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 119.813 -0.755 . . . . 27.27 112.303 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.2 153.03 42.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 120.926 -1.109 . . . . 29.359999999999999 110.625 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.37 153.87 52.09 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 119.968 -1.111 . . . . 19.870000000000001 111.169 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -61.99 144.95 54.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 118.999 -1.08 . . . . 42.450000000000003 112.455 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.1 t -68.87 116.03 37.17 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 107.569 -1.271 . . . . 16.34 107.569 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -60.83 -36.93 81.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.519 -1.188 . . . . 25.98 111.996 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.5 -47.72 75.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 C-N-CA 119.527 -0.869 . . . . 23.649999999999999 111.358 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.29 -40.45 81.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.902 -0.59 . . . . 18.27 111.802 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -62.92 -46.78 86.16 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.004 0.43 . . . . 20.800000000000001 109.978 -176.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.7 mm -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 109.155 -0.683 . . . . 33.75 109.155 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.08 81.12 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 120.896 0.379 . . . . 21.16 111.168 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.12 -49.84 74.26 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-O 120.966 0.413 . . . . 23.309999999999999 111.596 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.8 -44.91 70.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 119.022 -1.071 . . . . 26.82 111.305 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.27 -45.68 90.33 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 120.105 -0.638 . . . . 65.709999999999994 110.213 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.1 71.02 Favored 'General case' 0 CA--C 1.503 -0.83 0 O-C-N 124.083 0.864 . . . . 32.490000000000002 108.931 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 75.2 mt -84.41 -2.83 57.79 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.479 0.487 . . . . 39.640000000000001 111.742 -176.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.28 15.41 41.39 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.489 0.956 . . . . 43.280000000000001 115.489 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 34.2 m0 -64.73 146.95 98.34 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 118.529 1.164 . . . . 43.719999999999999 112.588 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.99 156.12 67.08 Favored 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 123.764 1.402 . . . . 47.759999999999998 109.388 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' MSE . . . . . . . . . . . . . 14.8 mmm -56.1 -37.68 69.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.019 0.748 . . . . 77.129999999999995 113.019 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' A' ' 171' ' ' HOH . 0.0 OUTLIER -64.84 -37.42 87.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 117.614 -1.634 . . . . 90.569999999999993 112.434 -176.562 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.87 -32.03 61.76 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 118.699 0.681 . . . . 71.180000000000007 112.74 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.35 -38.01 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 107.703 -1.221 . . . . 36.630000000000003 107.703 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -62.6 -45.75 91.44 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 120.32 -0.552 . . . . 54.369999999999997 110.359 -177.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.65 -40.85 72.79 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.133 0.492 . . . . 72.939999999999998 112.261 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.72 -46.55 89.16 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 122.059 0.933 . . . . 31.620000000000001 110.953 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -24.7 65.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.703 0.763 . . . . 33.130000000000003 109.742 -170.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -63.61 -18.31 63.79 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 115.328 -0.851 . . . . 85.5 110.981 -172.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -90.04 3.49 53.06 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 116.63 2.085 . . . . 76.310000000000002 116.63 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -106.35 161.22 14.76 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.711 -0.618 . . . . 36.43 112.109 175.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -92.0 132.47 36.51 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 108.855 -0.794 . . . . 53.420000000000002 108.855 167.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -119.6 103.39 9.37 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.415 0.626 . . . . 36.509999999999998 112.334 -169.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.6 p -83.88 166.74 32.17 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.314 -0.625 . . . . 28.41 109.314 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.8 -33.13 93.28 Favored 'Trans proline' 0 C--O 1.216 -0.602 0 O-C-N 122.64 0.81 . . . . 31.489999999999998 110.315 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.12 95.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 120.571 -0.452 . . . . 31.190000000000001 109.855 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.85 -42.37 70.2 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 112.955 0.724 . . . . 26.359999999999999 112.955 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.36 -44.75 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 109.467 -0.568 . . . . 27.350000000000001 109.467 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.4 p -72.43 -29.82 64.05 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 117.662 -1.615 . . . . 37.630000000000003 108.885 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.1 -41.75 94.66 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 120.267 -0.573 . . . . 40.340000000000003 111.148 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.41 -37.52 87.79 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.276 -0.89 . . . . 26.77 110.39 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.68 -23.37 67.34 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 120.526 -0.47 . . . . 40.369999999999997 112.179 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -76.27 -22.1 55.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.37 -0.532 . . . . 70.859999999999999 110.145 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.32 -37.95 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 123.816 0.846 . . . . 52.350000000000001 112.424 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.2 mt -85.71 163.08 18.45 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.387 -0.968 . . . . 56.890000000000001 108.387 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -109.73 -1.87 17.73 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 118.939 -1.105 . . . . 105.04000000000001 113.656 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.7 p -77.92 179.54 6.68 Favored 'General case' 0 CA--C 1.558 1.257 0 CA-C-N 116.45 -0.341 . . . . 66.469999999999999 111.42 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.8 p -73.74 161.58 30.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.749 . . . . 64.879999999999995 109.972 -176.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.37 -38.59 87.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.567 -0.853 . . . . 60.039999999999999 109.521 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.22 91.68 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.605 -0.807 . . . . 48.659999999999997 111.35 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -68.81 -37.48 79.25 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.03 -0.73 . . . . 107.94 109.03 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.19 -46.28 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.436 -0.906 . . . . 38.189999999999998 110.513 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.59 -44.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.917 -0.713 . . . . 35.159999999999997 110.709 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.45 -42.22 95.7 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 120.955 0.407 . . . . 86.930000000000007 111.878 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.85 -45.39 74.51 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.02 -0.536 . . . . 54.229999999999997 111.644 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.3 p -68.18 -23.52 64.85 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.049 -0.407 . . . . 35.350000000000001 111.138 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.86 21.59 67.66 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.519 -1.032 . . . . 41.439999999999998 110.519 -172.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.72 -21.48 47.99 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.977 1.473 . . . . 39.850000000000001 114.977 -168.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -130.78 29.27 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.938 0.875 . . . . 50.75 108.708 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' MSE . . . . . . . . . . . . . 3.7 mtp -127.53 133.56 49.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.897 -1.047 . . . . 135.69999999999999 109.245 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.379 0.609 . . . . 101.56999999999999 111.849 179.568 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . 0.428 ' O ' ' NH2' ' A' ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . 0.524 ' O ' ' NE2' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 17.7 ttt . . . . . 0 N--CA 1.506 2.339 0 CA-C-O 121.06 0.457 . . . . 61.02 111.011 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -75.58 153.37 37.39 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 118.315 -1.354 . . . . 21.64 108.586 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -69.91 -37.22 75.89 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.468 -0.493 . . . . 22.08 110.337 -176.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 139.27 53.45 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.074 -0.65 . . . . 23.14 110.056 -177.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -136.95 161.47 35.95 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 108.278 -1.008 . . . . 19.35 108.278 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -91.31 149.47 21.73 Favored 'General case' 0 C--O 1.253 1.25 0 CA-C-N 115.91 -0.586 . . . . 19.48 110.528 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -153.82 126.35 8.1 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 123.936 0.773 . . . . 19.9 109.841 172.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -77.41 135.32 38.3 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 108.03 -1.1 . . . . 16.57 108.03 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.51 141.55 2.99 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.307 -0.627 . . . . 18.74 109.307 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t0 54.06 41.73 31.9 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 114.969 -1.014 . . . . 48.7 112.159 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.9 88.28 Favored Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 117.255 1.662 . . . . 20.01 117.255 171.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -139.85 164.46 29.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 119.733 1.766 . . . . 39.23 110.317 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -93.29 105.3 17.39 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.366 -1.346 . . . . 22.14 107.366 173.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.95 175.2 6.73 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.924 -0.769 . . . . 16.26 108.924 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -119.48 141.79 37.84 Favored 'Isoleucine or valine' 0 C--O 1.269 2.089 0 N-CA-C 103.743 -2.688 . . . . 16.17 103.743 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -129.42 157.76 41.07 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.26 -1.376 . . . . 20.42 111.448 172.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -86.92 114.29 23.43 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 106.593 -1.632 . . . . 23.86 106.593 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.1 p -76.72 -6.68 53.17 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.061 -0.718 . . . . 19.52 109.061 -172.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -9.4 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 120.229 -0.588 . . . . 23.53 109.924 173.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -114.3 -33.15 5.73 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.639 0.977 . . . . 28.91 113.639 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -133.47 150.02 51.74 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 113.8 1.037 . . . . 27.73 113.8 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.21 127.82 56.07 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 106.05 -1.833 . . . . 60.96 106.05 166.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.25 143.99 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.955 1.094 . . . . 35.5 113.955 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -161.09 142.32 11.66 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.912 -1.144 . . . . 71.76 107.912 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 138.16 55.1 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 108.233 -1.025 . . . . 38.83 108.233 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.32 0.13 70.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 115.658 1.023 . . . . 41.18 115.658 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.03 131.61 21.88 Favored Pre-proline 0 C--O 1.237 0.431 0 N-CA-C 108.401 -0.963 . . . . 70.36 108.401 -179.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -72.83 149.01 47.15 Favored 'Trans proline' 0 C--O 1.245 0.845 0 O-C-N 122.724 0.855 . . . . 36.99 111.711 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -136.51 164.24 28.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 107.798 -1.186 . . . . 23.21 107.798 163.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -109.79 125.83 53.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.567 -1.642 . . . . 24.75 106.567 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 171.99 14.35 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-N 114.773 -1.103 . . . . 17.42 112.106 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.19 -26.35 66.28 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.944 -1.097 . . . . 22.42 110.265 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.9 p -80.09 -6.6 57.97 Favored 'General case' 0 C--O 1.253 1.284 0 O-C-N 121.154 -0.966 . . . . 22.44 111.033 -176.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.84 -10.14 66.17 Favored Glycine 0 C--O 1.217 -0.955 0 C-N-CA 119.44 -1.362 . . . . 25.65 116.124 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -75.75 132.84 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.862 -0.792 . . . . 40.32 108.862 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 m -92.75 120.46 33.16 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 106.233 -1.766 . . . . 30.43 106.233 169.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.72 161.51 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.004 -0.739 . . . . 23.17 109.004 -171.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.8 m -132.3 120.03 16.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 108.612 -0.884 . . . . 33.67 108.612 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.81 136.75 54.83 Favored 'Trans proline' 0 C--O 1.262 1.697 0 O-C-N 123.156 1.082 . . . . 25.07 110.67 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 192' ' ' HOH . 30.1 mm-40 -128.67 136.48 50.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.049 0.452 . . . . 59.21 109.788 -179.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.2 m -64.99 -35.59 81.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.066 -0.515 . . . . 24.7 111.596 -174.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -63.1 -22.59 66.96 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.54 0.57 . . . . 39.74 112.54 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -95.32 6.42 49.07 Favored 'General case' 0 C--O 1.268 2.069 0 CA-C-O 122.023 0.916 . . . . 30.41 112.181 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.61 14.11 82.35 Favored Glycine 0 C--O 1.259 1.697 0 CA-C-N 114.983 -1.008 . . . . 16.11 113.013 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.45 -21.49 61.95 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 113.773 1.027 . . . . 18.19 113.773 -171.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.47 12.71 36.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.224 -1.39 . . . . 26.3 113.358 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.3 m -127.18 106.52 9.3 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 107.301 -1.37 . . . . 34.02 107.301 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.11 66.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 118.938 -1.105 . . . . 22.7 110.619 -169.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.63 -14.47 64.96 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 119.452 -1.356 . . . . 28.36 113.84 173.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.7 mt -105.37 14.8 28.26 Favored 'General case' 0 C--O 1.258 1.513 0 O-C-N 121.545 -0.974 . . . . 34.75 111.925 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -79.09 94.92 5.42 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 121.03 -1.044 . . . . 17.72 110.976 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -104.82 -6.25 20.42 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 119.813 -0.755 . . . . 27.27 112.303 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.2 153.03 42.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 120.926 -1.109 . . . . 29.36 110.625 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.37 153.87 52.09 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 119.968 -1.111 . . . . 19.87 111.169 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -61.99 144.95 54.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 118.999 -1.08 . . . . 42.45 112.455 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.1 t -68.87 116.03 37.17 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 107.569 -1.271 . . . . 16.34 107.569 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -60.83 -36.93 81.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.519 -1.188 . . . . 25.98 111.996 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.5 -47.72 75.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 C-N-CA 119.527 -0.869 . . . . 23.65 111.358 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.29 -40.45 81.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.902 -0.59 . . . . 18.27 111.802 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -62.92 -46.78 86.16 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.004 0.43 . . . . 20.8 109.978 -176.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.7 mm -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 109.155 -0.683 . . . . 33.75 109.155 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.08 81.12 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 120.896 0.379 . . . . 21.16 111.168 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.12 -49.84 74.26 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-O 120.966 0.413 . . . . 23.31 111.596 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.8 -44.91 70.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 119.022 -1.071 . . . . 26.82 111.305 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.27 -45.68 90.33 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 120.105 -0.638 . . . . 65.71 110.213 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.1 71.02 Favored 'General case' 0 CA--C 1.503 -0.83 0 O-C-N 124.083 0.864 . . . . 32.49 108.931 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 75.2 mt -84.41 -2.83 57.79 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.479 0.487 . . . . 39.64 111.742 -176.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.28 15.41 41.39 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.489 0.956 . . . . 43.28 115.489 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 34.2 m0 -64.73 146.95 98.34 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 118.529 1.164 . . . . 43.72 112.588 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.99 156.12 67.08 Favored 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 123.764 1.402 . . . . 47.76 109.388 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' MSE . . . . . . . . . . . . . 14.8 mmm -56.1 -37.68 69.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.019 0.748 . . . . 77.13 113.019 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' A' ' 171' ' ' HOH . 0.0 OUTLIER -64.84 -37.42 87.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 117.614 -1.634 . . . . 90.57 112.434 -176.562 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.87 -32.03 61.76 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 118.699 0.681 . . . . 71.18 112.74 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.35 -38.01 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 107.703 -1.221 . . . . 36.63 107.703 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -62.6 -45.75 91.44 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 120.32 -0.552 . . . . 54.37 110.359 -177.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.65 -40.85 72.79 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.133 0.492 . . . . 72.94 112.261 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.72 -46.55 89.16 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 122.059 0.933 . . . . 31.62 110.953 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -24.7 65.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.703 0.763 . . . . 33.13 109.742 -170.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . 0.408 ' CE1' ' HA3' ' A' ' 107' ' ' GLY . 2.4 m80 -63.61 -18.31 63.79 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 115.328 -0.851 . . . . 85.5 110.981 -172.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -90.04 3.49 53.06 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 116.63 2.085 . . . . 76.31 116.63 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -106.35 161.22 14.76 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.711 -0.618 . . . . 36.43 112.109 175.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -92.0 132.47 36.51 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 108.855 -0.794 . . . . 53.42 108.855 167.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -119.6 103.39 9.37 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.415 0.626 . . . . 36.51 112.334 -169.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.6 p -83.88 166.74 32.17 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.314 -0.625 . . . . 28.41 109.314 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.8 -33.13 93.28 Favored 'Trans proline' 0 C--O 1.216 -0.602 0 O-C-N 122.64 0.81 . . . . 31.49 110.315 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.12 95.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 120.571 -0.452 . . . . 31.19 109.855 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.85 -42.37 70.2 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 112.955 0.724 . . . . 26.36 112.955 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.36 -44.75 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 109.467 -0.568 . . . . 27.35 109.467 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.4 p -72.43 -29.82 64.05 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 117.662 -1.615 . . . . 37.63 108.885 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.1 -41.75 94.66 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 120.267 -0.573 . . . . 40.34 111.148 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.41 -37.52 87.79 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.276 -0.89 . . . . 26.77 110.39 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.68 -23.37 67.34 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 120.526 -0.47 . . . . 40.37 112.179 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -76.27 -22.1 55.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.37 -0.532 . . . . 70.86 110.145 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.32 -37.95 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 123.816 0.846 . . . . 52.35 112.424 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.2 mt -85.71 163.08 18.45 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.387 -0.968 . . . . 56.89 108.387 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -109.73 -1.87 17.73 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 118.939 -1.105 . . . . 105.04 113.656 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' CYS . . . . . 0.527 ' HB2' ' OE1' ' A' ' 101' ' ' GLU . 13.7 p -77.92 179.54 6.68 Favored 'General case' 0 CA--C 1.558 1.257 0 CA-C-N 116.45 -0.341 . . . . 66.47 111.42 176.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.8 p -73.74 161.58 30.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.749 . . . . 64.88 109.972 -176.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.37 -38.59 87.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.567 -0.853 . . . . 60.04 109.521 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.22 91.68 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.605 -0.807 . . . . 48.66 111.35 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.527 ' OE1' ' HB2' ' A' ' 97' ' ' CYS . 68.7 mt-10 -68.81 -37.48 79.25 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.03 -0.73 . . . . 107.94 109.03 178.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.19 -46.28 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.436 -0.906 . . . . 38.19 110.513 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.59 -44.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.917 -0.713 . . . . 35.16 110.709 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 199' ' ' HOH . 94.7 mt-10 -60.45 -42.22 95.7 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 120.955 0.407 . . . . 86.93 111.878 177.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.85 -45.39 74.51 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.02 -0.536 . . . . 54.23 111.644 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.3 p -68.18 -23.52 64.85 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.049 -0.407 . . . . 35.35 111.138 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 79' ' ' HIS . . . 64.86 21.59 67.66 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.519 -1.032 . . . . 41.44 110.519 -172.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.72 -21.48 47.99 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.977 1.473 . . . . 39.85 114.977 -168.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -130.78 29.27 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.938 0.875 . . . . 50.75 108.708 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' MSE . . . . . . . . . . . . . 3.7 mtp -127.53 133.56 49.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.897 -1.047 . . . . 135.7 109.245 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.379 0.609 . . . . 101.57 111.849 179.568 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . 0.428 ' O ' ' NH2' ' A' ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . 0.487 ' O ' ' NE2' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 199' ' ' HOH . . . . . 0.631 ' O ' ' HG3' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 17.7 ttt . . . . . 0 N--CA 1.506 2.339 0 CA-C-O 121.06 0.457 . . . . 61.02 111.011 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -75.58 153.37 37.39 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 118.315 -1.354 . . . . 21.64 108.586 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -69.91 -37.22 75.89 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.468 -0.493 . . . . 22.08 110.337 -176.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 139.27 53.45 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.074 -0.65 . . . . 23.14 110.056 -177.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -136.95 161.47 35.95 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 108.278 -1.008 . . . . 19.35 108.278 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -91.31 149.47 21.73 Favored 'General case' 0 C--O 1.253 1.25 0 CA-C-N 115.91 -0.586 . . . . 19.48 110.528 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -153.82 126.35 8.1 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 123.936 0.773 . . . . 19.9 109.841 172.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -77.41 135.32 38.3 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 108.03 -1.1 . . . . 16.57 108.03 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.51 141.55 2.99 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.307 -0.627 . . . . 18.74 109.307 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t0 54.06 41.73 31.9 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 114.969 -1.014 . . . . 48.7 112.159 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.9 88.28 Favored Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 117.255 1.662 . . . . 20.01 117.255 171.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -139.85 164.46 29.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 119.733 1.766 . . . . 39.23 110.317 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -93.29 105.3 17.39 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.366 -1.346 . . . . 22.14 107.366 173.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.95 175.2 6.73 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.924 -0.769 . . . . 16.26 108.924 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -119.48 141.79 37.84 Favored 'Isoleucine or valine' 0 C--O 1.269 2.089 0 N-CA-C 103.743 -2.688 . . . . 16.17 103.743 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -129.42 157.76 41.07 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 118.26 -1.376 . . . . 20.42 111.448 172.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -86.92 114.29 23.43 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 106.593 -1.632 . . . . 23.86 106.593 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.1 p -76.72 -6.68 53.17 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.061 -0.718 . . . . 19.52 109.061 -172.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -9.4 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 120.229 -0.588 . . . . 23.53 109.924 173.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -114.3 -33.15 5.73 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.639 0.977 . . . . 28.91 113.639 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -133.47 150.02 51.74 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 113.8 1.037 . . . . 27.73 113.8 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.21 127.82 56.07 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 106.05 -1.833 . . . . 60.96 106.05 166.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.25 143.99 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 113.955 1.094 . . . . 35.5 113.955 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -161.09 142.32 11.66 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 107.912 -1.144 . . . . 71.76 107.912 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 138.16 55.1 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 108.233 -1.025 . . . . 38.83 108.233 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.32 0.13 70.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 115.658 1.023 . . . . 41.18 115.658 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.03 131.61 21.88 Favored Pre-proline 0 C--O 1.237 0.431 0 N-CA-C 108.401 -0.963 . . . . 70.36 108.401 -179.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -72.83 149.01 47.15 Favored 'Trans proline' 0 C--O 1.245 0.845 0 O-C-N 122.724 0.855 . . . . 36.99 111.711 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -136.51 164.24 28.63 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 107.798 -1.186 . . . . 23.21 107.798 163.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -109.79 125.83 53.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 106.567 -1.642 . . . . 24.75 106.567 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 171.99 14.35 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-N 114.773 -1.103 . . . . 17.42 112.106 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.19 -26.35 66.28 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.944 -1.097 . . . . 22.42 110.265 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.9 p -80.09 -6.6 57.97 Favored 'General case' 0 C--O 1.253 1.284 0 O-C-N 121.154 -0.966 . . . . 22.44 111.033 -176.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.84 -10.14 66.17 Favored Glycine 0 C--O 1.217 -0.955 0 C-N-CA 119.44 -1.362 . . . . 25.65 116.124 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -75.75 132.84 40.72 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.862 -0.792 . . . . 40.32 108.862 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 m -92.75 120.46 33.16 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 106.233 -1.766 . . . . 30.43 106.233 169.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -135.72 161.51 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.004 -0.739 . . . . 23.17 109.004 -171.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.8 m -132.3 120.03 16.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 108.612 -0.884 . . . . 33.67 108.612 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.81 136.75 54.83 Favored 'Trans proline' 0 C--O 1.262 1.697 0 O-C-N 123.156 1.082 . . . . 25.07 110.67 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 192' ' ' HOH . 30.1 mm-40 -128.67 136.48 50.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.049 0.452 . . . . 59.21 109.788 -179.035 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.2 m -64.99 -35.59 81.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.066 -0.515 . . . . 24.7 111.596 -174.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -63.1 -22.59 66.96 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.54 0.57 . . . . 39.74 112.54 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -95.32 6.42 49.07 Favored 'General case' 0 C--O 1.268 2.069 0 CA-C-O 122.023 0.916 . . . . 30.41 112.181 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.61 14.11 82.35 Favored Glycine 0 C--O 1.259 1.697 0 CA-C-N 114.983 -1.008 . . . . 16.11 113.013 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.45 -21.49 61.95 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 113.773 1.027 . . . . 18.19 113.773 -171.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.47 12.71 36.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.224 -1.39 . . . . 26.3 113.358 -176.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.3 m -127.18 106.52 9.3 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 107.301 -1.37 . . . . 34.02 107.301 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.81 -23.11 66.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 118.938 -1.105 . . . . 22.7 110.619 -169.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.63 -14.47 64.96 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 119.452 -1.356 . . . . 28.36 113.84 173.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.7 mt -105.37 14.8 28.26 Favored 'General case' 0 C--O 1.258 1.513 0 O-C-N 121.545 -0.974 . . . . 34.75 111.925 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -79.09 94.92 5.42 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 121.03 -1.044 . . . . 17.72 110.976 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -104.82 -6.25 20.42 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 119.813 -0.755 . . . . 27.27 112.303 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -65.2 153.03 42.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 120.926 -1.109 . . . . 29.36 110.625 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.37 153.87 52.09 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 119.968 -1.111 . . . . 19.87 111.169 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -61.99 144.95 54.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 118.999 -1.08 . . . . 42.45 112.455 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.1 t -68.87 116.03 37.17 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 107.569 -1.271 . . . . 16.34 107.569 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -60.83 -36.93 81.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.519 -1.188 . . . . 25.98 111.996 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.5 -47.72 75.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 C-N-CA 119.527 -0.869 . . . . 23.65 111.358 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.7 m -58.29 -40.45 81.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.902 -0.59 . . . . 18.27 111.802 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -62.92 -46.78 86.16 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.004 0.43 . . . . 20.8 109.978 -176.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.7 mm -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 109.155 -0.683 . . . . 33.75 109.155 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.08 81.12 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 120.896 0.379 . . . . 21.16 111.168 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.12 -49.84 74.26 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-O 120.966 0.413 . . . . 23.31 111.596 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.8 -44.91 70.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 119.022 -1.071 . . . . 26.82 111.305 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.27 -45.68 90.33 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 120.105 -0.638 . . . . 65.71 110.213 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.1 71.02 Favored 'General case' 0 CA--C 1.503 -0.83 0 O-C-N 124.083 0.864 . . . . 32.49 108.931 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 75.2 mt -84.41 -2.83 57.79 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.479 0.487 . . . . 39.64 111.742 -176.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.28 15.41 41.39 Favored Glycine 0 C--O 1.246 0.901 0 N-CA-C 115.489 0.956 . . . . 43.28 115.489 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 34.2 m0 -64.73 146.95 98.34 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 118.529 1.164 . . . . 43.72 112.588 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.99 156.12 67.08 Favored 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 123.764 1.402 . . . . 47.76 109.388 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' MSE . . . . . . . . . . . . . 14.8 mmm -56.1 -37.68 69.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.019 0.748 . . . . 77.13 113.019 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' A' ' 171' ' ' HOH . 0.0 OUTLIER -64.84 -37.42 87.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 117.614 -1.634 . . . . 90.57 112.434 -176.562 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.87 -32.03 61.76 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 118.699 0.681 . . . . 71.18 112.74 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.35 -38.01 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 107.703 -1.221 . . . . 36.63 107.703 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -62.6 -45.75 91.44 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 120.32 -0.552 . . . . 54.37 110.359 -177.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.65 -40.85 72.79 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.133 0.492 . . . . 72.94 112.261 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.72 -46.55 89.16 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 122.059 0.933 . . . . 31.62 110.953 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -24.7 65.9 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.703 0.763 . . . . 33.13 109.742 -170.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.408 ' CE1' ' HA3' ' A' ' 107' ' ' GLY . 2.4 m80 -63.61 -18.31 63.79 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 115.328 -0.851 . . . . 85.5 110.981 -172.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -90.04 3.49 53.06 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 116.63 2.085 . . . . 76.31 116.63 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -106.35 161.22 14.76 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.711 -0.618 . . . . 36.43 112.109 175.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -92.0 132.47 36.51 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 108.855 -0.794 . . . . 53.42 108.855 167.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -119.6 103.39 9.37 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.415 0.626 . . . . 36.51 112.334 -169.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.6 p -83.88 166.74 32.17 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.314 -0.625 . . . . 28.41 109.314 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.8 -33.13 93.28 Favored 'Trans proline' 0 C--O 1.216 -0.602 0 O-C-N 122.64 0.81 . . . . 31.49 110.315 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.12 95.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 120.571 -0.452 . . . . 31.19 109.855 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 71.6 mt -70.85 -42.37 70.2 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 112.955 0.724 . . . . 26.36 112.955 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.36 -44.75 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 109.467 -0.568 . . . . 27.35 109.467 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.4 p -72.43 -29.82 64.05 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 117.662 -1.615 . . . . 37.63 108.885 -176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -65.1 -41.75 94.66 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 120.267 -0.573 . . . . 40.34 111.148 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.41 -37.52 87.79 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.276 -0.89 . . . . 26.77 110.39 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.68 -23.37 67.34 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 120.526 -0.47 . . . . 40.37 112.179 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -76.27 -22.1 55.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.37 -0.532 . . . . 70.86 110.145 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.32 -37.95 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 123.816 0.846 . . . . 52.35 112.424 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.2 mt -85.71 163.08 18.45 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.387 -0.968 . . . . 56.89 108.387 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -109.73 -1.87 17.73 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 118.939 -1.105 . . . . 105.04 113.656 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.527 ' HB2' ' OE1' ' A' ' 101' ' ' GLU . 13.7 p -77.92 179.54 6.68 Favored 'General case' 0 CA--C 1.558 1.257 0 CA-C-N 116.45 -0.341 . . . . 66.47 111.42 176.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.8 p -73.74 161.58 30.08 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.501 -0.749 . . . . 64.88 109.972 -176.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.37 -38.59 87.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.567 -0.853 . . . . 60.04 109.521 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.22 91.68 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.605 -0.807 . . . . 48.66 111.35 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.527 ' OE1' ' HB2' ' A' ' 97' ' ' CYS . 68.7 mt-10 -68.81 -37.48 79.25 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 109.03 -0.73 . . . . 107.94 109.03 178.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.19 -46.28 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 119.436 -0.906 . . . . 38.19 110.513 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.59 -44.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 119.917 -0.713 . . . . 35.16 110.709 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 199' ' ' HOH . 94.7 mt-10 -60.45 -42.22 95.7 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 120.955 0.407 . . . . 86.93 111.878 177.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.85 -45.39 74.51 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.02 -0.536 . . . . 54.23 111.644 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.3 p -68.18 -23.52 64.85 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.049 -0.407 . . . . 35.35 111.138 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 79' ' ' HIS . . . 64.86 21.59 67.66 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.519 -1.032 . . . . 41.44 110.519 -172.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.72 -21.48 47.99 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.977 1.473 . . . . 39.85 114.977 -168.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -130.78 29.27 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.938 0.875 . . . . 50.75 108.708 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' MSE . . . . . . . . . . . . . 3.7 mtp -127.53 133.56 49.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.897 -1.047 . . . . 135.7 109.245 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.379 0.609 . . . . 101.57 111.849 179.568 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . 0.428 ' O ' ' NH2' ' A' ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . 0.487 ' O ' ' NE2' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' HOH . . . . . 0.631 ' O ' ' HG3' ' A' ' 104' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_