data_3qqt_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 3qqt _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.396 0.617 . . . . 30.489999999999998 111.589 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.503 ' O ' ' O ' ' A' ' 117' ' ' HOH . 8.8 m -89.99 -16.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.063 -1.088 . . . . 27.16 108.063 175.284 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -125.41 147.38 57.58 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 115.318 -0.855 . . . . 27.460000000000001 112.159 174.111 -62.518 -63.544 -82.865 105.72 2.033 98.65 -78.681 -62.821 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.11 160.95 24.28 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 N-CA-C 109.39 -1.042 . . . . 28.170000000000002 109.39 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.22 168.09 20.06 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.577 -2.008 . . . . 30.059999999999999 105.577 173.034 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.52 -122.8 7.15 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 119.682 -1.247 . . . . 26.640000000000001 115.596 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.45 -65.45 0.89 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.262 0.838 . . . . 23.710000000000001 113.262 -170.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -91.19 68.57 6.02 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.769 -0.456 . . . . 22.420000000000002 109.769 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -111.14 -8.48 14.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.324 0.861 . . . . 24.469999999999999 113.324 -167.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' CYS . 76.4 m-20 -105.79 107.96 60.55 Favored Pre-proline 0 CA--C 1.515 -0.379 0 N-CA-C 112.118 0.414 . . . . 25.510000000000002 112.118 -173.744 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.37 121.49 6.84 Favored 'Trans proline' 0 C--O 1.243 0.756 0 C-N-CA 125.214 3.943 . . . . 23.539999999999999 113.737 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.7 mt -134.76 151.86 51.3 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 107.259 -1.386 . . . . 24.219999999999999 107.259 -175.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.2 m -98.35 118.05 34.14 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.725 -1.583 . . . . 22.059999999999999 106.725 173.173 -58.307 -69.79 -69.871 96.362 2.035 123.511 -36.5 -73.074 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 m -127.85 139.79 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.074 0.768 . . . . 21.59 113.074 -174.737 -49.544 -113.636 117.388 94.023 2.015 97.07 -82.318 -63.753 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.96 60.9 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.941 0.719 . . . . 17.949999999999999 112.941 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -162.74 160.48 25.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.779 -0.368 . . . . 17.5 111.122 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -112.31 100.84 9.12 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.94 -0.763 . . . . 18.75 108.94 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.6 125.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 17.859999999999999 111.818 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 mt 57.21 21.74 6.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.272 0.558 . . . . 21.300000000000001 111.187 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 60.39 21.27 10.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.945 -0.57 . . . . 22.100000000000001 111.583 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.7 mt -134.31 -29.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.228 0.455 . . . . 19.329999999999998 112.228 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.9 mt -114.62 110.08 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 119.771 -0.772 . . . . 19.57 112.334 -173.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.65 121.13 5.33 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.954 -2.059 . . . . 19.66 107.954 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.61 141.75 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.504 -0.554 . . . . 21.23 109.504 -173.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 53.87 60.08 3.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 24.489999999999998 111.943 -174.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.37 131.71 43.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.725 -0.67 . . . . 27.460000000000001 112.365 -178.373 -63.753 -82.318 117.388 97.07 2.015 94.023 -113.636 -49.544 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -135.73 139.56 43.7 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.19 -0.459 . . . . 34.600000000000001 109.805 172.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.81 146.99 91.38 Favored Pre-proline 0 C--N 1.332 -0.186 0 N-CA-C 112.748 0.647 . . . . 30.170000000000002 112.748 -170.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -47.5 146.72 7.19 Favored 'Trans proline' 0 C--O 1.241 0.651 0 C-N-CA 122.888 2.392 . . . . 29.870000000000001 111.731 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -100.54 -17.56 17.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.74 -0.663 . . . . 36.960000000000001 109.439 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.54 -174.74 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.168 -0.469 . . . . 31.510000000000002 111.5 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.8 125.07 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.633 -0.258 . . . . 31.77 110.333 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.78 87.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.43 0.53 . . . . 27.870000000000001 112.43 -174.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.45 -7.16 20.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.512 1.301 . . . . 33.350000000000001 114.512 -172.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -136.22 167.69 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.473 -0.491 . . . . 29.050000000000001 111.071 170.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.13 -33.32 86.72 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 114.182 0.433 . . . . 24.940000000000001 114.182 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.91 40.12 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.821 -0.437 . . . . 27.32 109.821 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.7 mt -53.08 -56.3 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.475 -0.784 . . . . 29.690000000000001 110.942 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.3 -56.13 14.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.191 -0.459 . . . . 23.84 110.721 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -58.46 -58.03 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.868 1.062 . . . . 35.140000000000001 113.868 -175.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.39 74.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.474 0.546 . . . . 28.399999999999999 112.474 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.99 -27.68 67.07 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.349 0.5 . . . . 29.850000000000001 112.349 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.22 -43.02 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 28.579999999999998 110.639 179.445 -73.074 -36.5 -69.871 123.511 2.035 96.362 -69.79 -58.307 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.03 -11.68 49.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.708 0.289 . . . . 29.940000000000001 111.05 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -86.25 -32.13 21.29 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.004 -0.544 . . . . 30.239999999999998 109.846 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -83.51 3.73 31.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.56 -0.745 . . . . 31.27 112.656 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.46 73.34 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.783 -1.327 . . . . 27.699999999999999 109.783 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -116.96 169.68 9.21 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.154 0.582 . . . . 27.510000000000002 111.278 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -108.8 150.15 40.45 Favored Pre-proline 0 C--O 1.225 -0.234 0 N-CA-C 107.558 -1.275 . . . . 30.43 107.558 171.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -77.61 119.23 4.78 Favored 'Trans proline' 0 C--N 1.346 0.405 0 O-C-N 122.547 0.762 . . . . 21.98 113.117 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.0 mt -125.92 158.85 34.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.04 -0.527 . . . . 16.940000000000001 109.955 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.09 118.53 35.02 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.477 -0.934 . . . . 23.719999999999999 108.477 174.045 -62.821 -78.681 -82.865 98.65 2.033 105.72 -63.544 -62.518 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' ASN . 69.5 m -120.2 163.98 16.93 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 113.72 1.008 . . . . 21.149999999999999 113.72 -167.481 -58.358 -93.465 104.178 111.499 2.03 100.737 -92.806 -55.462 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.15 3.13 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.755 -0.657 . . . . 22.050000000000001 112.759 -171.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.76 151.17 22.87 Favored Pre-proline 0 N--CA 1.462 0.16 0 C-N-CA 122.503 0.321 . . . . 27.399999999999999 110.189 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.1 -7.61 11.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 120.921 1.08 . . . . 28.059999999999999 112.692 -176.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.4 151.59 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 124.067 0.854 . . . . 33.359999999999999 112.863 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.52 -76.98 0.33 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 117.08 2.252 . . . . 35.030000000000001 117.08 -166.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -102.49 112.74 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.289 1.589 . . . . 40.170000000000002 115.289 -162.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 148.32 123.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 103.159 -2.904 . . . . 31.969999999999999 103.159 -161.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 145.08 56.64 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 118.922 -1.111 . . . . 23.170000000000002 109.418 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -158.31 162.24 37.72 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.211 -0.45 . . . . 20.27 111.188 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.16 135.4 52.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 16.940000000000001 111.887 -177.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.9 m -148.32 164.47 33.94 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 107.958 -1.127 . . . . 18.780000000000001 107.958 -177.156 -55.462 -92.806 104.178 100.737 2.03 111.499 -93.465 -58.358 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -138.55 156.57 47.38 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.923 -1.88 . . . . 26.469999999999999 105.923 168.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -71.54 152.69 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.231 -0.988 . . . . 30.059999999999999 110.401 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.46 146.69 53.74 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.569 -0.53 . . . . 32.329999999999998 109.569 173.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.92 153.17 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 118.937 -1.105 . . . . 40.289999999999999 112.076 -174.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.49 -55.37 4.7 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.303 -1.119 . . . . 36.840000000000003 110.303 -176.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 113.986 1.106 . . . . 38.25 113.986 -173.559 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.179 0.514 . . . . 34.469999999999999 110.816 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -120.67 -1.06 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.791 -1.188 . . . . 27.079999999999998 107.791 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 20.1 m -125.82 156.23 71.6 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.033 -0.985 . . . . 29.52 109.018 175.101 -80.609 -46.585 -93.155 108.791 2.031 104.312 -73.293 -71.245 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -67.74 -173.87 0.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 116.54 -1.84 . . . . 28.640000000000001 110.507 172.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.72 172.1 7.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.872 -1.899 . . . . 34.420000000000002 105.872 169.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.15 -108.94 3.66 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 108.581 -1.808 . . . . 28.079999999999998 108.581 -173.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 tp -92.61 -64.26 1.13 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.472 1.286 . . . . 23.609999999999999 114.472 -172.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -86.22 72.94 10.3 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.949 0.352 . . . . 22.870000000000001 111.949 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 98.0 p -125.09 32.18 5.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 112.97 0.73 . . . . 27.27 112.97 -171.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -132.04 114.89 15.2 Favored Pre-proline 0 CA--C 1.504 -0.822 0 N-CA-C 110.216 -0.29 . . . . 28.34 110.216 175.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.69 130.79 15.13 Favored 'Trans proline' 0 CA--C 1.512 -0.612 0 C-N-CA 122.601 2.201 . . . . 22.98 109.742 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 79.1 mt -146.66 150.26 35.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 105.097 -2.186 . . . . 22.0 105.097 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 73.3 m -97.18 123.76 41.04 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.711 -1.218 . . . . 22.07 107.711 176.057 -63.077 -65.699 -78.083 104.102 2.039 112.958 -38.678 -73.192 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 m -130.43 149.7 51.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 123.321 0.388 . . . . 20.859999999999999 111.495 -175.963 -52.037 -94.585 100.823 104.559 2.019 107.87 -76.928 -64.111 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.57 99.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.601 0.715 . . . . 19.52 112.301 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -156.15 173.18 17.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.727 -0.67 . . . . 19.489999999999998 109.707 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -123.97 86.72 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.011 -1.107 . . . . 17.890000000000001 108.011 175.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.0 124.24 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 18.399999999999999 111.974 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt 63.67 9.83 4.62 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.605 -0.725 . . . . 22.84 112.547 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 71.86 13.0 6.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 116.186 -0.461 . . . . 25.469999999999999 110.216 -175.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' B' ' 64' ' ' CYS . 80.4 mt -123.61 -41.67 2.25 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.92 0.711 . . . . 22.829999999999998 112.92 -174.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 mt -106.76 114.77 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.215 -0.594 . . . . 18.370000000000001 111.649 -169.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.35 125.52 7.06 Favored Glycine 0 C--O 1.22 -0.739 0 N-CA-C 110.048 -1.221 . . . . 20.02 110.048 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.3 t -124.16 136.26 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.399 0.143 . . . . 20.219999999999999 110.717 -172.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.9 t0 59.59 67.85 0.85 Allowed 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.073 -1.084 . . . . 24.25 108.073 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.86 159.26 15.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 114.656 -1.156 . . . . 28.710000000000001 110.958 -177.729 -64.111 -76.928 100.823 107.87 2.019 104.559 -94.585 -52.037 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -139.56 149.64 44.11 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.273 -0.64 . . . . 35.880000000000003 109.273 170.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.87 136.34 94.45 Favored Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 108.575 -0.898 . . . . 29.170000000000002 108.575 175.335 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.05 143.08 93.91 Favored 'Trans proline' 0 C--O 1.239 0.555 0 C-N-CA 115.372 -2.619 . . . . 29.870000000000001 110.462 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . 0.409 ' OG1' ' CE1' ' B' ' 42' ' ' HIS . 6.6 p -98.39 -23.13 15.72 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.425 -0.583 . . . . 35.5 109.425 -179.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.71 173.46 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.138 0.494 . . . . 31.960000000000001 112.223 174.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.89 116.53 28.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.729 -0.471 . . . . 33.359999999999999 109.729 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -107.26 107.6 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 O-C-N 123.423 0.452 . . . . 28.699999999999999 111.345 -176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.94 3.91 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.393 1.257 . . . . 33.229999999999997 114.393 -173.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.4 p -130.4 165.87 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.617 -0.882 . . . . 25.66 108.617 165.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.66 -25.96 68.62 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.454 -0.403 . . . . 24.399999999999999 113.823 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.43 -41.34 66.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 24.149999999999999 110.109 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.8 mt -68.65 -36.95 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.551 -0.749 . . . . 26.16 112.17 178.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.22 -57.06 12.85 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.34 -0.391 . . . . 22.780000000000001 110.827 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -72.57 -18.39 61.62 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.575 -1.65 . . . . 31.91 110.934 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.87 76.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.392 0.433 . . . . 30.370000000000001 110.824 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HIS . . . . . 0.409 ' CE1' ' OG1' ' B' ' 30' ' ' THR . 69.8 t60 -73.02 -24.8 60.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.764 0.653 . . . . 28.949999999999999 112.764 175.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.2 m -84.43 -41.82 16.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.205 -0.598 . . . . 28.600000000000001 110.272 179.548 -73.192 -38.678 -78.083 112.958 2.039 104.102 -65.699 -63.077 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.69 -23.31 50.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.8 -0.815 . . . . 31.780000000000001 108.8 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -77.41 32.48 0.15 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.413 0.625 . . . . 35.140000000000001 109.591 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' B' ' 106' ' ' HOH . 0.0 OUTLIER -161.27 -8.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.136 -0.938 . . . . 33.630000000000003 108.785 -176.512 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 17.15 80.13 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 108.281 -1.927 . . . . 30.210000000000001 108.281 -173.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -97.29 163.41 12.91 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 114.3 1.222 . . . . 26.850000000000001 114.3 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -107.49 140.19 21.28 Favored Pre-proline 0 C--N 1.332 -0.156 0 CA-C-N 115.435 -0.802 . . . . 26.84 110.422 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -71.2 119.75 6.51 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 120.5 0.8 . . . . 22.0 111.01 174.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -125.39 162.54 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.229 0.538 . . . . 17.579999999999998 112.197 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.2 m -118.95 113.26 20.74 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.38 -0.827 . . . . 20.18 109.605 176.903 -71.245 -73.293 -93.155 104.312 2.031 108.791 -46.585 -80.609 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 24.4 m -124.05 157.15 35.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.021 0.748 . . . . 21.109999999999999 113.021 -162.99 -48.823 -101.869 111.424 97.399 2.024 105.997 -90.592 -70.192 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 m -66.38 -13.53 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 115.566 1.691 . . . . 25.640000000000001 115.566 -172.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.32 160.61 44.87 Favored Pre-proline 0 CA--C 1.518 -0.252 0 C-N-CA 120.018 -0.673 . . . . 28.510000000000002 112.775 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.1 -23.41 15.9 Favored 'Trans proline' 0 CA--C 1.536 0.603 1 C-N-CA 126.164 4.576 . . . . 30.370000000000001 114.457 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 31.3 m -70.49 137.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.467 0.707 . . . . 34.869999999999997 109.97 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.0 -11.22 14.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.584 0.957 . . . . 30.579999999999998 113.584 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' B' ' 60' ' ' GLN . 2.2 p30 -88.84 125.7 35.04 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.929 -0.308 . . . . 34.490000000000002 110.82 176.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' B' ' 59' ' ' ASP . 10.1 mt-30 91.25 130.92 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.64 0.776 . . . . 31.300000000000001 110.9 -170.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.25 155.69 4.79 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.27 0.557 . . . . 21.809999999999999 112.138 -178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -141.22 160.81 39.32 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 114.851 -1.068 . . . . 22.359999999999999 110.675 -165.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LEU . . . . . 0.568 ' CG ' ' O ' ' B' ' 83' ' ' HOH . 2.3 mp -84.67 124.54 31.6 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.056 -2.201 . . . . 19.920000000000002 105.056 171.891 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' B' ' 21' ' ' LEU . 91.0 m -139.13 155.91 47.53 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.422 -0.584 . . . . 16.640000000000001 109.422 -173.838 -70.192 -90.592 111.424 105.997 2.024 97.399 -101.869 -48.823 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -126.46 137.24 53.38 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 104.977 -2.231 . . . . 24.109999999999999 104.977 -178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LYS . . . . . 0.593 ' NZ ' ' O ' ' B' ' 107' ' ' HOH . 5.7 ptpt -57.67 141.88 46.89 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 107.314 -1.365 . . . . 22.809999999999999 107.314 -179.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.81 145.32 55.63 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 120.411 0.148 . . . . 27.34 110.766 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 tt -97.32 129.46 47.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 120.031 -0.668 . . . . 30.449999999999999 109.386 174.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.77 20.69 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 107.358 -2.297 . . . . 35.539999999999999 107.358 -173.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 121.227 0.537 . . . . 37.100000000000001 111.713 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . 0.503 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . 0.551 ' O ' ' CB ' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . 0.568 ' O ' ' CG ' ' B' ' 63' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . 0.408 ' O ' ' NZ ' ' B' ' 46' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . 0.593 ' O ' ' NZ ' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.396 0.617 . . . . 30.489999999999998 111.589 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.503 ' O ' ' O ' ' A' ' 117' ' ' HOH . 8.8 m -89.99 -16.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.063 -1.088 . . . . 27.16 108.063 175.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -125.41 147.38 57.58 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 115.318 -0.855 . . . . 27.460000000000001 112.159 174.111 -62.518 -63.544 -82.865 105.72 2.033 98.65 -78.681 -62.821 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' SER . 17.8 Cg_endo -61.11 160.95 24.28 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 N-CA-C 109.39 -1.042 . . . . 28.170000000000002 109.39 174.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.22 168.09 20.06 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.577 -2.008 . . . . 30.059999999999999 105.577 173.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.52 -122.8 7.15 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 119.682 -1.247 . . . . 26.640000000000001 115.596 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HG ' HG12 ' A' ' 54' ' ' VAL . 35.0 tp -75.45 -65.45 0.89 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.262 0.838 . . . . 23.710000000000001 113.262 -170.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . 0.512 ' HD1' H7C1 ' B' ' 72' ' ' SDS . 77.6 m-85 -91.19 68.57 6.02 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.769 -0.456 . . . . 22.420000000000002 109.769 179.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' A' ' 85' ' ' HOH . 60.5 p -111.14 -8.48 14.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.324 0.861 . . . . 24.469999999999999 113.324 -167.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -105.79 107.96 60.55 Favored Pre-proline 0 CA--C 1.515 -0.379 0 N-CA-C 112.118 0.414 . . . . 25.510000000000002 112.118 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.37 121.49 6.84 Favored 'Trans proline' 0 C--O 1.243 0.756 0 C-N-CA 125.214 3.943 . . . . 23.539999999999999 113.737 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 28' ' ' THR . 39.7 mt -134.76 151.86 51.3 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 107.259 -1.386 . . . . 24.219999999999999 107.259 -175.54 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 69.2 m -98.35 118.05 34.14 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.725 -1.583 . . . . 22.059999999999999 106.725 173.173 -58.307 -69.79 -69.871 96.362 2.035 123.511 -36.5 -73.074 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 m -127.85 139.79 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.074 0.768 . . . . 21.59 113.074 -174.737 -49.544 -113.636 117.388 94.023 2.015 97.07 -82.318 -63.753 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.96 60.9 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.941 0.719 . . . . 17.949999999999999 112.941 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -162.74 160.48 25.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.779 -0.368 . . . . 17.5 111.122 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -112.31 100.84 9.12 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.94 -0.763 . . . . 18.75 108.94 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG12 ' HG ' ' A' ' 19' ' ' LEU . 25.5 t -68.6 125.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 17.859999999999999 111.818 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HG ' HG12 ' A' ' 18' ' ' VAL . 9.7 mt 57.21 21.74 6.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.272 0.558 . . . . 21.300000000000001 111.187 -178.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 60.39 21.27 10.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.945 -0.57 . . . . 22.100000000000001 111.583 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt -134.31 -29.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.228 0.455 . . . . 19.329999999999998 112.228 -177.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.9 mt -114.62 110.08 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 119.771 -0.772 . . . . 19.57 112.334 -173.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.65 121.13 5.33 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.954 -2.059 . . . . 19.66 107.954 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 ' O3 ' ' A' ' 73' ' ' SO4 . 2.4 t -115.61 141.75 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.504 -0.554 . . . . 21.23 109.504 -173.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 53.87 60.08 3.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 24.489999999999998 111.943 -174.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.37 131.71 43.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.725 -0.67 . . . . 27.460000000000001 112.365 -178.373 -63.753 -82.318 117.388 97.07 2.015 94.023 -113.636 -49.544 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HE2' ' HD3' ' A' ' 46' ' ' LYS . 13.6 pttm -135.73 139.56 43.7 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.19 -0.459 . . . . 34.600000000000001 109.805 172.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . 0.455 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -71.81 146.99 91.38 Favored Pre-proline 0 C--N 1.332 -0.186 0 N-CA-C 112.748 0.647 . . . . 30.170000000000002 112.748 -170.696 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -47.5 146.72 7.19 Favored 'Trans proline' 0 C--O 1.241 0.651 0 C-N-CA 122.888 2.392 . . . . 29.870000000000001 111.731 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -100.54 -17.56 17.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.74 -0.663 . . . . 36.960000000000001 109.439 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.54 -174.74 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.168 -0.469 . . . . 31.510000000000002 111.5 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 94' ' ' HOH . . . -87.8 125.07 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.633 -0.258 . . . . 31.77 110.333 178.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 33' ' ' VAL . 34.9 m -111.78 87.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.43 0.53 . . . . 27.870000000000001 112.43 -174.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.45 -7.16 20.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.512 1.301 . . . . 33.350000000000001 114.512 -172.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -136.22 167.69 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.473 -0.491 . . . . 29.050000000000001 111.071 170.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.13 -33.32 86.72 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 114.182 0.433 . . . . 24.940000000000001 114.182 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.91 40.12 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.821 -0.437 . . . . 27.32 109.821 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . 0.625 HD13 ' O ' ' A' ' 102' ' ' HOH . 85.7 mt -53.08 -56.3 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.475 -0.784 . . . . 29.690000000000001 110.942 175.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.3 -56.13 14.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.191 -0.459 . . . . 23.84 110.721 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . 0.544 ' HA ' ' HG3' ' A' ' 50' ' ' PRO . 61.6 tt0 -58.46 -58.03 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.868 1.062 . . . . 35.140000000000001 113.868 -175.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.39 74.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.474 0.546 . . . . 28.399999999999999 112.474 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.99 -27.68 67.07 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.349 0.5 . . . . 29.850000000000001 112.349 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.22 -43.02 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 28.579999999999998 110.639 179.445 -73.074 -36.5 -69.871 123.511 2.035 96.362 -69.79 -58.307 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.03 -11.68 49.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.708 0.289 . . . . 29.940000000000001 111.05 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -86.25 -32.13 21.29 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.004 -0.544 . . . . 30.239999999999998 109.846 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . 0.669 ' HD3' ' HE2' ' A' ' 27' ' ' LYS . 77.8 mttt -83.51 3.73 31.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.56 -0.745 . . . . 31.27 112.656 176.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.46 73.34 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.783 -1.327 . . . . 27.699999999999999 109.783 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 73.8 m -116.96 169.68 9.21 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.154 0.582 . . . . 27.510000000000002 111.278 176.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HE2' ' O ' ' A' ' 122' ' ' HOH . 69.9 mttt -108.8 150.15 40.45 Favored Pre-proline 0 C--O 1.225 -0.234 0 N-CA-C 107.558 -1.275 . . . . 30.43 107.558 171.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HG3' ' HA ' ' A' ' 40' ' ' GLN . 30.4 Cg_endo -77.61 119.23 4.78 Favored 'Trans proline' 0 C--N 1.346 0.405 0 O-C-N 122.547 0.762 . . . . 21.98 113.117 173.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.0 mt -125.92 158.85 34.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.04 -0.527 . . . . 16.940000000000001 109.955 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.09 118.53 35.02 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.477 -0.934 . . . . 23.719999999999999 108.477 174.045 -62.821 -78.681 -82.865 98.65 2.033 105.72 -63.544 -62.518 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.5 m -120.2 163.98 16.93 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 113.72 1.008 . . . . 21.149999999999999 113.72 -167.481 -58.358 -93.465 104.178 111.499 2.03 100.737 -92.806 -55.462 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG12 ' HG ' ' A' ' 7' ' ' LEU . 35.5 m -79.15 3.13 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.755 -0.657 . . . . 22.050000000000001 112.759 -171.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.76 151.17 22.87 Favored Pre-proline 0 N--CA 1.462 0.16 0 C-N-CA 122.503 0.321 . . . . 27.399999999999999 110.189 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.1 -7.61 11.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 120.921 1.08 . . . . 28.059999999999999 112.692 -176.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.4 151.59 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 124.067 0.854 . . . . 33.359999999999999 112.863 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.52 -76.98 0.33 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 117.08 2.252 . . . . 35.030000000000001 117.08 -166.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 24.0 m-20 -102.49 112.74 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.289 1.589 . . . . 40.170000000000002 115.289 -162.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 8.2 tp60 148.32 123.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 103.159 -2.904 . . . . 31.969999999999999 103.159 -161.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 145.08 56.64 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 118.922 -1.111 . . . . 23.170000000000002 109.418 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 113' ' ' HOH . 1.2 pt? -158.31 162.24 37.72 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.211 -0.45 . . . . 20.27 111.188 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 63' ' ' LEU . 3.1 mm? -68.16 135.4 52.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 16.940000000000001 111.887 -177.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.9 m -148.32 164.47 33.94 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 107.958 -1.127 . . . . 18.780000000000001 107.958 -177.156 -55.462 -92.806 104.178 100.737 2.03 111.499 -93.465 -58.358 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 81' ' ' HOH . 1.5 mm-40 -138.55 156.57 47.38 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.923 -1.88 . . . . 26.469999999999999 105.923 168.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -71.54 152.69 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.231 -0.988 . . . . 30.059999999999999 110.401 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.46 146.69 53.74 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.569 -0.53 . . . . 32.329999999999998 109.569 173.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.92 153.17 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 118.937 -1.105 . . . . 40.289999999999999 112.076 -174.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.49 -55.37 4.7 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.303 -1.119 . . . . 36.840000000000003 110.303 -176.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 113.986 1.106 . . . . 38.25 113.986 -173.559 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.179 0.514 . . . . 34.469999999999999 110.816 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -120.67 -1.06 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.791 -1.188 . . . . 27.079999999999998 107.791 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 20.1 m -125.82 156.23 71.6 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.033 -0.985 . . . . 29.52 109.018 175.101 -80.609 -46.585 -93.155 108.791 2.031 104.312 -73.293 -71.245 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -67.74 -173.87 0.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 116.54 -1.84 . . . . 28.640000000000001 110.507 172.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 77' ' ' HOH . 0.5 OUTLIER -117.72 172.1 7.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.872 -1.899 . . . . 34.420000000000002 105.872 169.539 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.15 -108.94 3.66 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 108.581 -1.808 . . . . 28.079999999999998 108.581 -173.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 tp -92.61 -64.26 1.13 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.472 1.286 . . . . 23.609999999999999 114.472 -172.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -86.22 72.94 10.3 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.949 0.352 . . . . 22.870000000000001 111.949 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 98.0 p -125.09 32.18 5.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 112.97 0.73 . . . . 27.27 112.97 -171.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' B' ' 53' ' ' CYS . 9.1 m120 -132.04 114.89 15.2 Favored Pre-proline 0 CA--C 1.504 -0.822 0 N-CA-C 110.216 -0.29 . . . . 28.34 110.216 175.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.69 130.79 15.13 Favored 'Trans proline' 0 CA--C 1.512 -0.612 0 C-N-CA 122.601 2.201 . . . . 22.98 109.742 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 79.1 mt -146.66 150.26 35.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 105.097 -2.186 . . . . 22.0 105.097 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' B' ' 26' ' ' CYS . 73.3 m -97.18 123.76 41.04 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.711 -1.218 . . . . 22.07 107.711 176.057 -63.077 -65.699 -78.083 104.102 2.039 112.958 -38.678 -73.192 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' B' ' 26' ' ' CYS . 38.0 m -130.43 149.7 51.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 123.321 0.388 . . . . 20.859999999999999 111.495 -175.963 -52.037 -94.585 100.823 104.559 2.019 107.87 -76.928 -64.111 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.57 99.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.601 0.715 . . . . 19.52 112.301 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -156.15 173.18 17.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.727 -0.67 . . . . 19.489999999999998 109.707 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -123.97 86.72 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.011 -1.107 . . . . 17.890000000000001 108.011 175.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.0 124.24 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 18.399999999999999 111.974 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' B' ' 20' ' ' ASP . 20.7 mt 63.67 9.83 4.62 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.605 -0.725 . . . . 22.84 112.547 179.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 19' ' ' LEU . 49.0 m-20 71.86 13.0 6.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 116.186 -0.461 . . . . 25.469999999999999 110.216 -175.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.61 -41.67 2.25 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.92 0.711 . . . . 22.829999999999998 112.92 -174.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 62' ' ' LEU . 14.8 mt -106.76 114.77 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.215 -0.594 . . . . 18.370000000000001 111.649 -169.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.35 125.52 7.06 Favored Glycine 0 C--O 1.22 -0.739 0 N-CA-C 110.048 -1.221 . . . . 20.02 110.048 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.3 t -124.16 136.26 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.399 0.143 . . . . 20.219999999999999 110.717 -172.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.9 t0 59.59 67.85 0.85 Allowed 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.073 -1.084 . . . . 24.25 108.073 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' B' ' 13' ' ' CYS . 81.6 m -104.86 159.26 15.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 114.656 -1.156 . . . . 28.710000000000001 110.958 -177.729 -64.111 -76.928 100.823 107.87 2.019 104.559 -94.585 -52.037 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -139.56 149.64 44.11 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.273 -0.64 . . . . 35.880000000000003 109.273 170.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.563 HG22 ' O ' ' B' ' 81' ' ' HOH . 0.9 OUTLIER -66.87 136.34 94.45 Favored Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 108.575 -0.898 . . . . 29.170000000000002 108.575 175.335 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PRO . . . . . 0.731 ' HA ' ' O ' ' B' ' 113' ' ' HOH . 88.7 Cg_exo -57.05 143.08 93.91 Favored 'Trans proline' 0 C--O 1.239 0.555 0 C-N-CA 115.372 -2.619 . . . . 29.870000000000001 110.462 175.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . 0.523 ' H ' ' CE1' ' B' ' 42' ' ' HIS . 6.6 p -98.39 -23.13 15.72 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.425 -0.583 . . . . 35.5 109.425 -179.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.71 173.46 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.138 0.494 . . . . 31.960000000000001 112.223 174.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.89 116.53 28.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.729 -0.471 . . . . 33.359999999999999 109.729 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -107.26 107.6 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 O-C-N 123.423 0.452 . . . . 28.699999999999999 111.345 -176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.94 3.91 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.393 1.257 . . . . 33.229999999999997 114.393 -173.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.4 p -130.4 165.87 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.617 -0.882 . . . . 25.66 108.617 165.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.66 -25.96 68.62 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.454 -0.403 . . . . 24.399999999999999 113.823 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.43 -41.34 66.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 24.149999999999999 110.109 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.8 mt -68.65 -36.95 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.551 -0.749 . . . . 26.16 112.17 178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.22 -57.06 12.85 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.34 -0.391 . . . . 22.780000000000001 110.827 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . 0.833 ' HB3' ' HG3' ' B' ' 50' ' ' PRO . 12.3 pt20 -72.57 -18.39 61.62 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.575 -1.65 . . . . 31.91 110.934 -178.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.87 76.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.392 0.433 . . . . 30.370000000000001 110.824 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HIS . . . . . 0.523 ' CE1' ' H ' ' B' ' 30' ' ' THR . 23.5 t-80 -73.02 -24.8 60.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.764 0.653 . . . . 28.949999999999999 112.764 175.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.2 m -84.43 -41.82 16.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.205 -0.598 . . . . 28.600000000000001 110.272 179.548 -73.192 -38.678 -78.083 112.958 2.039 104.102 -65.699 -63.077 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' B' ' 46' ' ' LYS . . . -57.69 -23.31 50.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.8 -0.815 . . . . 31.780000000000001 108.8 -179.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . 0.511 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 1.6 p -77.41 32.48 0.15 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.413 0.625 . . . . 35.140000000000001 109.591 177.374 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' B' ' 45' ' ' SER . 0.0 OUTLIER -161.27 -8.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.136 -0.938 . . . . 33.630000000000003 108.785 -176.512 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 17.15 80.13 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 108.281 -1.927 . . . . 30.210000000000001 108.281 -173.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -97.29 163.41 12.91 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 114.3 1.222 . . . . 26.850000000000001 114.3 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -107.49 140.19 21.28 Favored Pre-proline 0 C--N 1.332 -0.156 0 CA-C-N 115.435 -0.802 . . . . 26.84 110.422 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PRO . . . . . 0.833 ' HG3' ' HB3' ' B' ' 40' ' ' GLN . 31.4 Cg_endo -71.2 119.75 6.51 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 120.5 0.8 . . . . 22.0 111.01 174.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -125.39 162.54 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.229 0.538 . . . . 17.579999999999998 112.197 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.2 m -118.95 113.26 20.74 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.38 -0.827 . . . . 20.18 109.605 176.903 -71.245 -73.293 -93.155 104.312 2.031 108.791 -46.585 -80.609 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' B' ' 62' ' ' LEU . 24.4 m -124.05 157.15 35.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.021 0.748 . . . . 21.109999999999999 113.021 -162.99 -48.823 -101.869 111.424 97.399 2.024 105.997 -90.592 -70.192 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' VAL . . . . . 0.568 HG22 HD22 ' B' ' 62' ' ' LEU . 22.2 m -66.38 -13.53 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 115.566 1.691 . . . . 25.640000000000001 115.566 -172.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' B' ' 56' ' ' PRO . . . -145.32 160.61 44.87 Favored Pre-proline 0 CA--C 1.518 -0.252 0 C-N-CA 120.018 -0.673 . . . . 28.510000000000002 112.775 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' B' ' 55' ' ' ALA . 57.0 Cg_endo -74.1 -23.41 15.9 Favored 'Trans proline' 0 CA--C 1.536 0.603 1 C-N-CA 126.164 4.576 . . . . 30.370000000000001 114.457 175.36 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 73' ' ' HOH . 31.3 m -70.49 137.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.467 0.707 . . . . 34.869999999999997 109.97 178.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.0 -11.22 14.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.584 0.957 . . . . 30.579999999999998 113.584 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . 0.778 ' O ' ' HB2' ' B' ' 60' ' ' GLN . 2.2 p30 -88.84 125.7 35.04 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.929 -0.308 . . . . 34.490000000000002 110.82 176.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLN . . . . . 0.778 ' HB2' ' O ' ' B' ' 59' ' ' ASP . 10.1 mt-30 91.25 130.92 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.64 0.776 . . . . 31.300000000000001 110.9 -170.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.25 155.69 4.79 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.27 0.557 . . . . 21.809999999999999 112.138 -178.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . 0.568 HD22 HG22 ' B' ' 54' ' ' VAL . 1.1 mt -141.22 160.81 39.32 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 114.851 -1.068 . . . . 22.359999999999999 110.675 -165.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LEU . . . . . 0.965 ' HG ' ' O ' ' B' ' 83' ' ' HOH . 2.3 mp -84.67 124.54 31.6 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.056 -2.201 . . . . 19.920000000000002 105.056 171.891 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 91.0 m -139.13 155.91 47.53 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.422 -0.584 . . . . 16.640000000000001 109.422 -173.838 -70.192 -90.592 111.424 105.997 2.024 97.399 -101.869 -48.823 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLN . . . . . 0.412 ' OE1' H8C2 ' B' ' 72' ' ' SDS . 9.8 tt0 -126.46 137.24 53.38 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 104.977 -2.231 . . . . 24.109999999999999 104.977 -178.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LYS . . . . . 1.014 ' HB2' ' O ' ' B' ' 74' ' ' HOH . 5.7 ptpt -57.67 141.88 46.89 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 107.314 -1.365 . . . . 22.809999999999999 107.314 -179.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.81 145.32 55.63 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 120.411 0.148 . . . . 27.34 110.766 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ILE . . . . . 0.742 HG22 ' O ' ' B' ' 98' ' ' HOH . 1.9 tt -97.32 129.46 47.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 120.031 -0.668 . . . . 30.449999999999999 109.386 174.205 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.77 20.69 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 107.358 -2.297 . . . . 35.539999999999999 107.358 -173.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 121.227 0.537 . . . . 37.100000000000001 111.713 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SO4 . . . . . 0.481 ' O3 ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SDS . . . . . 0.666 H5C1 ' O ' ' A' ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . 0.573 ' O ' ' HB2' ' A' ' 65' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . 0.559 ' O ' ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . 0.666 ' O ' H5C1 ' B' ' 72' ' ' SDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . 0.468 ' O ' ' HA ' ' A' ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.625 ' O ' HD13 ' A' ' 38' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . 0.503 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.452 ' O ' ' HE2' ' A' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . 0.531 ' O ' HG23 ' B' ' 57' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . 1.014 ' O ' ' HB2' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . 0.525 ' O ' HG23 ' B' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . 0.563 ' O ' HG22 ' B' ' 28' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . 0.965 ' O ' ' HG ' ' B' ' 63' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . 0.444 ' O ' H4C2 ' B' ' 72' ' ' SDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . 0.742 ' O ' HG22 ' B' ' 68' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . 0.593 ' O ' ' NZ ' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . 0.731 ' O ' ' HA ' ' B' ' 29' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . 0.686 ' O ' ' HG2' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.396 0.617 . . . . 30.49 111.589 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.503 ' O ' ' O ' ' A' ' 117' ' ' HOH . 8.8 m -89.99 -16.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.063 -1.088 . . . . 27.16 108.063 175.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -125.41 147.38 57.58 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 115.318 -0.855 . . . . 27.46 112.159 174.111 -62.518 -63.544 -82.865 105.72 2.033 98.65 -78.681 -62.821 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' SER . 17.8 Cg_endo -61.11 160.95 24.28 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 N-CA-C 109.39 -1.042 . . . . 28.17 109.39 174.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.22 168.09 20.06 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.577 -2.008 . . . . 30.06 105.577 173.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.52 -122.8 7.15 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 119.682 -1.247 . . . . 26.64 115.596 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HG ' HG12 ' A' ' 54' ' ' VAL . 35.0 tp -75.45 -65.45 0.89 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.262 0.838 . . . . 23.71 113.262 -170.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.512 ' HD1' H7C1 ' B' ' 72' ' ' SDS . 77.6 m-85 -91.19 68.57 6.02 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.769 -0.456 . . . . 22.42 109.769 179.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' A' ' 85' ' ' HOH . 60.5 p -111.14 -8.48 14.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.324 0.861 . . . . 24.47 113.324 -167.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -105.79 107.96 60.55 Favored Pre-proline 0 CA--C 1.515 -0.379 0 N-CA-C 112.118 0.414 . . . . 25.51 112.118 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.37 121.49 6.84 Favored 'Trans proline' 0 C--O 1.243 0.756 0 C-N-CA 125.214 3.943 . . . . 23.54 113.737 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 28' ' ' THR . 39.7 mt -134.76 151.86 51.3 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 107.259 -1.386 . . . . 24.22 107.259 -175.54 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 69.2 m -98.35 118.05 34.14 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 106.725 -1.583 . . . . 22.06 106.725 173.173 -58.307 -69.79 -69.871 96.362 2.035 123.511 -36.5 -73.074 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.6 m -127.85 139.79 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.074 0.768 . . . . 21.59 113.074 -174.737 -49.544 -113.636 117.388 94.023 2.015 97.07 -82.318 -63.753 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.96 60.9 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 112.941 0.719 . . . . 17.95 112.941 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 t -162.74 160.48 25.46 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.779 -0.368 . . . . 17.5 111.122 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -112.31 100.84 9.12 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.94 -0.763 . . . . 18.75 108.94 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG12 ' HG ' ' A' ' 19' ' ' LEU . 25.5 t -68.6 125.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 17.86 111.818 179.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HG ' HG12 ' A' ' 18' ' ' VAL . 9.7 mt 57.21 21.74 6.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.272 0.558 . . . . 21.3 111.187 -178.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 60.39 21.27 10.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.945 -0.57 . . . . 22.1 111.583 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt -134.31 -29.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.228 0.455 . . . . 19.33 112.228 -177.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.9 mt -114.62 110.08 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 119.771 -0.772 . . . . 19.57 112.334 -173.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.65 121.13 5.33 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.954 -2.059 . . . . 19.66 107.954 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 ' O3 ' ' A' ' 73' ' ' SO4 . 2.4 t -115.61 141.75 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.504 -0.554 . . . . 21.23 109.504 -173.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 53.87 60.08 3.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 24.49 111.943 -174.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.9 m -97.37 131.71 43.78 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.725 -0.67 . . . . 27.46 112.365 -178.373 -63.753 -82.318 117.388 97.07 2.015 94.023 -113.636 -49.544 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HE2' ' HD3' ' A' ' 46' ' ' LYS . 13.6 pttm -135.73 139.56 43.7 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.19 -0.459 . . . . 34.6 109.805 172.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . 0.455 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -71.81 146.99 91.38 Favored Pre-proline 0 C--N 1.332 -0.186 0 N-CA-C 112.748 0.647 . . . . 30.17 112.748 -170.696 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -47.5 146.72 7.19 Favored 'Trans proline' 0 C--O 1.241 0.651 0 C-N-CA 122.888 2.392 . . . . 29.87 111.731 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -100.54 -17.56 17.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.74 -0.663 . . . . 36.96 109.439 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.54 -174.74 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.168 -0.469 . . . . 31.51 111.5 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 94' ' ' HOH . . . -87.8 125.07 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.633 -0.258 . . . . 31.77 110.333 178.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 34.9 m -111.78 87.96 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.43 0.53 . . . . 27.87 112.43 -174.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.45 -7.16 20.04 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.512 1.301 . . . . 33.35 114.512 -172.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -136.22 167.69 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.473 -0.491 . . . . 29.05 111.071 170.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.13 -33.32 86.72 Favored Glycine 0 C--O 1.224 -0.489 0 N-CA-C 114.182 0.433 . . . . 24.94 114.182 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.91 40.12 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.821 -0.437 . . . . 27.32 109.821 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.625 HD13 ' O ' ' A' ' 102' ' ' HOH . 85.7 mt -53.08 -56.3 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.475 -0.784 . . . . 29.69 110.942 175.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.3 -56.13 14.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.191 -0.459 . . . . 23.84 110.721 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.544 ' HA ' ' HG3' ' A' ' 50' ' ' PRO . 61.6 tt0 -58.46 -58.03 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.868 1.062 . . . . 35.14 113.868 -175.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.39 74.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.474 0.546 . . . . 28.4 112.474 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.99 -27.68 67.07 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.349 0.5 . . . . 29.85 112.349 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.22 -43.02 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 28.58 110.639 179.445 -73.074 -36.5 -69.871 123.511 2.035 96.362 -69.79 -58.307 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.03 -11.68 49.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.708 0.289 . . . . 29.94 111.05 -178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -86.25 -32.13 21.29 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.004 -0.544 . . . . 30.24 109.846 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.669 ' HD3' ' HE2' ' A' ' 27' ' ' LYS . 77.8 mttt -83.51 3.73 31.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.56 -0.745 . . . . 31.27 112.656 176.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.46 73.34 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 109.783 -1.327 . . . . 27.7 109.783 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 73.8 m -116.96 169.68 9.21 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.154 0.582 . . . . 27.51 111.278 176.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HE2' ' O ' ' A' ' 122' ' ' HOH . 69.9 mttt -108.8 150.15 40.45 Favored Pre-proline 0 C--O 1.225 -0.234 0 N-CA-C 107.558 -1.275 . . . . 30.43 107.558 171.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.544 ' HG3' ' HA ' ' A' ' 40' ' ' GLN . 30.4 Cg_endo -77.61 119.23 4.78 Favored 'Trans proline' 0 C--N 1.346 0.405 0 O-C-N 122.547 0.762 . . . . 21.98 113.117 173.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.0 mt -125.92 158.85 34.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.04 -0.527 . . . . 16.94 109.955 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.09 118.53 35.02 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.477 -0.934 . . . . 23.72 108.477 174.045 -62.821 -78.681 -82.865 98.65 2.033 105.72 -63.544 -62.518 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.5 m -120.2 163.98 16.93 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 113.72 1.008 . . . . 21.15 113.72 -167.481 -58.358 -93.465 104.178 111.499 2.03 100.737 -92.806 -55.462 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG12 ' HG ' ' A' ' 7' ' ' LEU . 35.5 m -79.15 3.13 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.755 -0.657 . . . . 22.05 112.759 -171.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.76 151.17 22.87 Favored Pre-proline 0 N--CA 1.462 0.16 0 C-N-CA 122.503 0.321 . . . . 27.4 110.189 178.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -83.1 -7.61 11.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 120.921 1.08 . . . . 28.06 112.692 -176.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.4 151.59 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 124.067 0.854 . . . . 33.36 112.863 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.52 -76.98 0.33 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 117.08 2.252 . . . . 35.03 117.08 -166.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 24.0 m-20 -102.49 112.74 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.289 1.589 . . . . 40.17 115.289 -162.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 8.2 tp60 148.32 123.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 103.159 -2.904 . . . . 31.97 103.159 -161.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 145.08 56.64 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 118.922 -1.111 . . . . 23.17 109.418 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 113' ' ' HOH . 1.2 pt? -158.31 162.24 37.72 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.211 -0.45 . . . . 20.27 111.188 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.1 mm? -68.16 135.4 52.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 16.94 111.887 -177.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.9 m -148.32 164.47 33.94 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 107.958 -1.127 . . . . 18.78 107.958 -177.156 -55.462 -92.806 104.178 100.737 2.03 111.499 -93.465 -58.358 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 81' ' ' HOH . 1.5 mm-40 -138.55 156.57 47.38 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 105.923 -1.88 . . . . 26.47 105.923 168.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -71.54 152.69 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.231 -0.988 . . . . 30.06 110.401 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.46 146.69 53.74 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.569 -0.53 . . . . 32.33 109.569 173.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.92 153.17 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 118.937 -1.105 . . . . 40.29 112.076 -174.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.49 -55.37 4.7 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.303 -1.119 . . . . 36.84 110.303 -176.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 113.986 1.106 . . . . 38.25 113.986 -173.559 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.179 0.514 . . . . 34.47 110.816 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -120.67 -1.06 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.791 -1.188 . . . . 27.08 107.791 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 20.1 m -125.82 156.23 71.6 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 115.033 -0.985 . . . . 29.52 109.018 175.101 -80.609 -46.585 -93.155 108.791 2.031 104.312 -73.293 -71.245 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -67.74 -173.87 0.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 116.54 -1.84 . . . . 28.64 110.507 172.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 77' ' ' HOH . 0.5 OUTLIER -117.72 172.1 7.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 105.872 -1.899 . . . . 34.42 105.872 169.539 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.15 -108.94 3.66 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 108.581 -1.808 . . . . 28.08 108.581 -173.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 tp -92.61 -64.26 1.13 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.472 1.286 . . . . 23.61 114.472 -172.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -86.22 72.94 10.3 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.949 0.352 . . . . 22.87 111.949 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 98.0 p -125.09 32.18 5.45 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 112.97 0.73 . . . . 27.27 112.97 -171.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' B' ' 53' ' ' CYS . 9.1 m120 -132.04 114.89 15.2 Favored Pre-proline 0 CA--C 1.504 -0.822 0 N-CA-C 110.216 -0.29 . . . . 28.34 110.216 175.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.69 130.79 15.13 Favored 'Trans proline' 0 CA--C 1.512 -0.612 0 C-N-CA 122.601 2.201 . . . . 22.98 109.742 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 79.1 mt -146.66 150.26 35.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 105.097 -2.186 . . . . 22.0 105.097 178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' B' ' 26' ' ' CYS . 73.3 m -97.18 123.76 41.04 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.711 -1.218 . . . . 22.07 107.711 176.057 -63.077 -65.699 -78.083 104.102 2.039 112.958 -38.678 -73.192 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' B' ' 26' ' ' CYS . 38.0 m -130.43 149.7 51.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 123.321 0.388 . . . . 20.86 111.495 -175.963 -52.037 -94.585 100.823 104.559 2.019 107.87 -76.928 -64.111 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.57 99.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.601 0.715 . . . . 19.52 112.301 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -156.15 173.18 17.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.727 -0.67 . . . . 19.49 109.707 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -123.97 86.72 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.011 -1.107 . . . . 17.89 108.011 175.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.0 124.24 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 18.4 111.974 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' B' ' 20' ' ' ASP . 20.7 mt 63.67 9.83 4.62 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.605 -0.725 . . . . 22.84 112.547 179.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 19' ' ' LEU . 49.0 m-20 71.86 13.0 6.14 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 116.186 -0.461 . . . . 25.47 110.216 -175.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.61 -41.67 2.25 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.92 0.711 . . . . 22.83 112.92 -174.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 62' ' ' LEU . 14.8 mt -106.76 114.77 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.215 -0.594 . . . . 18.37 111.649 -169.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.35 125.52 7.06 Favored Glycine 0 C--O 1.22 -0.739 0 N-CA-C 110.048 -1.221 . . . . 20.02 110.048 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 77.3 t -124.16 136.26 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.399 0.143 . . . . 20.22 110.717 -172.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.9 t0 59.59 67.85 0.85 Allowed 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.073 -1.084 . . . . 24.25 108.073 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' B' ' 13' ' ' CYS . 81.6 m -104.86 159.26 15.94 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 114.656 -1.156 . . . . 28.71 110.958 -177.729 -64.111 -76.928 100.823 107.87 2.019 104.559 -94.585 -52.037 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -139.56 149.64 44.11 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.273 -0.64 . . . . 35.88 109.273 170.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.563 HG22 ' O ' ' B' ' 81' ' ' HOH . 0.9 OUTLIER -66.87 136.34 94.45 Favored Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 108.575 -0.898 . . . . 29.17 108.575 175.335 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.731 ' HA ' ' O ' ' B' ' 113' ' ' HOH . 88.7 Cg_exo -57.05 143.08 93.91 Favored 'Trans proline' 0 C--O 1.239 0.555 0 C-N-CA 115.372 -2.619 . . . . 29.87 110.462 175.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . 0.562 ' OG1' ' HE1' ' B' ' 42' ' ' HIS . 6.6 p -98.39 -23.13 15.72 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.425 -0.583 . . . . 35.5 109.425 -179.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.71 173.46 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.138 0.494 . . . . 31.96 112.223 174.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.89 116.53 28.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.729 -0.471 . . . . 33.36 109.729 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -107.26 107.6 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 O-C-N 123.423 0.452 . . . . 28.7 111.345 -176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.94 3.91 10.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.393 1.257 . . . . 33.23 114.393 -173.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.4 p -130.4 165.87 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.617 -0.882 . . . . 25.66 108.617 165.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.66 -25.96 68.62 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 121.454 -0.403 . . . . 24.4 113.823 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.43 -41.34 66.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 24.15 110.109 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 66.8 mt -68.65 -36.95 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.551 -0.749 . . . . 26.16 112.17 178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.22 -57.06 12.85 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.34 -0.391 . . . . 22.78 110.827 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.833 ' HB3' ' HG3' ' B' ' 50' ' ' PRO . 12.3 pt20 -72.57 -18.39 61.62 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.575 -1.65 . . . . 31.91 110.934 -178.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.87 76.22 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.392 0.433 . . . . 30.37 110.824 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.562 ' HE1' ' OG1' ' B' ' 30' ' ' THR . 69.8 t60 -73.02 -24.8 60.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.764 0.653 . . . . 28.95 112.764 175.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.2 m -84.43 -41.82 16.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.205 -0.598 . . . . 28.6 110.272 179.548 -73.192 -38.678 -78.083 112.958 2.039 104.102 -65.699 -63.077 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' B' ' 46' ' ' LYS . . . -57.69 -23.31 50.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.8 -0.815 . . . . 31.78 108.8 -179.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . 0.511 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 1.6 p -77.41 32.48 0.15 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.413 0.625 . . . . 35.14 109.591 177.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.511 ' HD3' ' O ' ' B' ' 45' ' ' SER . 0.0 OUTLIER -161.27 -8.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.136 -0.938 . . . . 33.63 108.785 -176.512 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 17.15 80.13 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 108.281 -1.927 . . . . 30.21 108.281 -173.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.4 m -97.29 163.41 12.91 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 114.3 1.222 . . . . 26.85 114.3 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -107.49 140.19 21.28 Favored Pre-proline 0 C--N 1.332 -0.156 0 CA-C-N 115.435 -0.802 . . . . 26.84 110.422 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.833 ' HG3' ' HB3' ' B' ' 40' ' ' GLN . 31.4 Cg_endo -71.2 119.75 6.51 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 120.5 0.8 . . . . 22.0 111.01 174.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 mt -125.39 162.54 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.229 0.538 . . . . 17.58 112.197 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.2 m -118.95 113.26 20.74 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.38 -0.827 . . . . 20.18 109.605 176.903 -71.245 -73.293 -93.155 104.312 2.031 108.791 -46.585 -80.609 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' B' ' 62' ' ' LEU . 24.4 m -124.05 157.15 35.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.021 0.748 . . . . 21.11 113.021 -162.99 -48.823 -101.869 111.424 97.399 2.024 105.997 -90.592 -70.192 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.568 HG22 HD22 ' B' ' 62' ' ' LEU . 22.2 m -66.38 -13.53 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 115.566 1.691 . . . . 25.64 115.566 -172.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' B' ' 56' ' ' PRO . . . -145.32 160.61 44.87 Favored Pre-proline 0 CA--C 1.518 -0.252 0 C-N-CA 120.018 -0.673 . . . . 28.51 112.775 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' B' ' 55' ' ' ALA . 57.0 Cg_endo -74.1 -23.41 15.9 Favored 'Trans proline' 0 CA--C 1.536 0.603 1 C-N-CA 126.164 4.576 . . . . 30.37 114.457 175.36 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 73' ' ' HOH . 31.3 m -70.49 137.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.467 0.707 . . . . 34.87 109.97 178.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.0 -11.22 14.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.584 0.957 . . . . 30.58 113.584 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . 0.778 ' O ' ' HB2' ' B' ' 60' ' ' GLN . 2.2 p30 -88.84 125.7 35.04 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.929 -0.308 . . . . 34.49 110.82 176.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.778 ' HB2' ' O ' ' B' ' 59' ' ' ASP . 10.1 mt-30 91.25 130.92 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.64 0.776 . . . . 31.3 110.9 -170.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.25 155.69 4.79 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.27 0.557 . . . . 21.81 112.138 -178.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.568 HD22 HG22 ' B' ' 54' ' ' VAL . 1.1 mt -141.22 160.81 39.32 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 114.851 -1.068 . . . . 22.36 110.675 -165.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.965 ' HG ' ' O ' ' B' ' 83' ' ' HOH . 2.3 mp -84.67 124.54 31.6 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.056 -2.201 . . . . 19.92 105.056 171.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 91.0 m -139.13 155.91 47.53 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 109.422 -0.584 . . . . 16.64 109.422 -173.838 -70.192 -90.592 111.424 105.997 2.024 97.399 -101.869 -48.823 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.412 ' OE1' H8C2 ' B' ' 72' ' ' SDS . 9.8 tt0 -126.46 137.24 53.38 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 104.977 -2.231 . . . . 24.11 104.977 -178.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LYS . . . . . 1.014 ' HB2' ' O ' ' B' ' 74' ' ' HOH . 5.7 ptpt -57.67 141.88 46.89 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 107.314 -1.365 . . . . 22.81 107.314 -179.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.81 145.32 55.63 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 120.411 0.148 . . . . 27.34 110.766 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.742 HG22 ' O ' ' B' ' 98' ' ' HOH . 1.9 tt -97.32 129.46 47.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 120.031 -0.668 . . . . 30.45 109.386 174.205 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.65 -12.77 20.69 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 107.358 -2.297 . . . . 35.54 107.358 -173.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.239 0.522 0 CA-C-O 121.227 0.537 . . . . 37.1 111.713 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SO4 . . . . . 0.481 ' O3 ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SDS . . . . . 0.666 H5C1 ' O ' ' A' ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . 0.573 ' O ' ' HB2' ' A' ' 65' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . 0.559 ' O ' ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . 0.666 ' O ' H5C1 ' B' ' 72' ' ' SDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . 0.468 ' O ' ' HA ' ' A' ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.625 ' O ' HD13 ' A' ' 38' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . 0.503 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.452 ' O ' ' HE2' ' A' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . 0.531 ' O ' HG23 ' B' ' 57' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . 1.014 ' O ' ' HB2' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . 0.525 ' O ' HG23 ' B' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . 0.563 ' O ' HG22 ' B' ' 28' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . 0.965 ' O ' ' HG ' ' B' ' 63' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . 0.444 ' O ' H4C2 ' B' ' 72' ' ' SDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . 0.742 ' O ' HG22 ' B' ' 68' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . 0.593 ' O ' ' NZ ' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . 0.731 ' O ' ' HA ' ' B' ' 29' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . 0.686 ' O ' ' HG2' ' B' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_