data_1acf_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 1acf _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' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 117.015 -1.469 . . . . 23.19 107.478 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -66.65 -43.62 84.13 Favored 'General case' 0 CA--C 1.564 1.514 0 O-C-N 125.635 1.835 . . . . 13.89 108.99 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 212' ' ' HOH . 7.7 tp-100 -56.84 -49.68 74.69 Favored 'General case' 0 C--O 1.273 2.321 0 C-N-CA 126.211 1.805 . . . . 11.27 110.143 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.9 m -54.9 -44.77 74.44 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 115.589 1.699 . . . . 12.53 115.589 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -50.85 -53.12 35.0 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 121.534 1.97 . . . . 33.19 111.144 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.45 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 C-N-CA 129.392 3.077 . . . . 14.79 111.363 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -67.56 -57.12 7.04 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 122.297 1.046 . . . . 12.81 112.964 -175.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -82.85 -46.32 13.18 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 119.549 3.166 . . . . 14.74 119.549 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -85.33 -18.49 33.65 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.576 -1.327 . . . . 11.06 113.051 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -110.22 -71.18 0.77 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.672 1.225 . . . . 9.16 113.352 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.39 -51.08 75.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 C-N-CA 126.536 1.934 . . . . 15.51 108.037 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . 0.737 ' O ' ' O ' ' A' ' 237' ' ' HOH . . . -49.39 -20.23 2.29 Favored Glycine 0 C--O 1.271 2.422 0 O-C-N 125.848 1.968 . . . . 15.82 117.647 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 p -87.02 -20.49 27.13 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 119.44 -2.212 . . . . 19.31 114.53 -176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.24 12.71 83.95 Favored Glycine 0 CA--C 1.479 -2.159 0 O-C-N 125.892 1.995 . . . . 15.34 117.985 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.25 -9.48 30.24 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 123.897 1.808 . . . . 13.5 108.171 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -140.39 141.38 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 110.331 -3.122 . . . . 17.9 107.598 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 m -89.31 -46.62 8.62 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 127.143 2.177 . . . . 19.76 114.002 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 219' ' ' HOH . 37.9 mt-30 -135.05 137.93 43.4 Favored 'General case' 0 C--O 1.262 1.731 0 CA-C-O 114.854 -2.498 . . . . 11.55 106.525 -178.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.65 148.21 37.03 Favored 'General case' 0 N--CA 1.523 3.176 0 O-C-N 129.066 3.979 . . . . 5.74 111.127 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.89 41.05 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 118.609 -2.557 . . . . 8.5 106.123 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mt -127.38 116.86 45.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 O-C-N 127.81 3.194 . . . . 11.37 106.998 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.9 166.73 10.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 127.412 2.945 . . . . 11.28 115.664 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.67 157.18 22.86 Favored Glycine 0 CA--C 1.556 2.594 0 N-CA-C 105.21 -3.156 . . . . 11.77 105.21 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.7 -9.86 52.93 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 117.722 -1.133 . . . . 14.4 109.451 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -88.35 -1.6 58.13 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 118.724 -1.191 . . . . 15.01 109.09 174.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.76 3.33 86.02 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 126.994 2.684 . . . . 16.68 116.91 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -84.75 140.73 31.04 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 120.348 2.074 . . . . 23.4 107.92 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -75.3 141.87 43.34 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.954 -1.021 . . . . 11.76 109.696 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -100.15 -38.9 8.33 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.401 1.688 . . . . 13.02 108.425 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.59 147.5 13.87 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 125.054 1.471 . . . . 10.24 108.709 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -140.91 152.81 45.33 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 113.28 -1.782 . . . . 7.43 113.734 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 p -73.24 139.02 45.92 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.51 -1.292 . . . . 10.93 107.51 176.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.43 126.9 3.63 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 125.749 1.906 . . . . 11.76 109.948 -176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.85 -10.55 38.96 Favored Glycine 0 C--O 1.266 2.113 0 N-CA-C 118.229 2.052 . . . . 10.64 118.229 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -91.08 125.1 35.76 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.46 2.63 . . . . 12.36 108.754 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.18 107.91 9.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 118.52 -2.613 . . . . 18.29 117.976 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.3 t -93.96 117.03 36.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 104.311 -2.477 . . . . 21.07 104.311 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . 0.432 ' N ' ' NE2' ' A' ' 41' ' ' GLN 0.271 20.2 p -78.28 165.71 48.24 Favored Pre-proline 0 C--O 1.272 2.264 0 C-N-CA 114.57 -2.852 . . . . 19.81 109.519 -177.775 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' THR . 89.8 Cg_exo -52.58 -57.39 2.1 Favored 'Trans proline' 0 C--O 1.239 0.536 0 O-C-N 125.979 2.568 . . . . 18.62 108.24 178.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.52 -50.43 31.99 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 108.677 -3.874 . . . . 19.06 110.008 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . 0.432 ' NE2' ' N ' ' A' ' 38' ' ' THR . 10.6 mt-30 -64.3 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 116.219 -1.848 . . . . 20.71 110.891 179.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.66 -48.06 84.39 Favored Glycine 0 C--N 1.3 -1.439 1 O-C-N 130.921 5.138 . . . . 17.15 112.689 179.301 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' PRO 0.431 2.5 p -66.19 -32.26 73.59 Favored 'General case' 0 C--O 1.275 2.4 0 O-C-N 125.244 1.202 . . . . 26.5 110.137 179.775 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -66.02 -42.62 89.41 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 117.732 -1.587 . . . . 16.81 111.842 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.5 -58.13 9.93 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 126.143 1.777 . . . . 16.4 108.308 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.82 -55.6 9.36 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 133.121 6.513 . . . . 16.59 109.344 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.0 -44.35 25.38 Favored Glycine 0 C--O 1.251 1.201 0 C-N-CA 126.623 2.059 . . . . 12.33 112.916 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.54 -25.02 65.61 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 114.208 -0.996 . . . . 11.35 110.627 -178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -63.91 -33.65 76.18 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 116.185 -2.206 . . . . 15.94 106.185 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -76.59 -62.2 1.71 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 126.397 2.31 . . . . 28.03 110.565 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -127.9 112.42 14.68 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 113.318 -3.23 . . . . 18.5 105.642 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.6 24.57 2.61 Favored 'General case' 0 C--N 1.281 -2.412 0 O-C-N 128.207 3.442 . . . . 21.18 112.127 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.82 -62.32 1.8 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.941 1.401 . . . . 43.31 110.416 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.51 -74.48 0.04 OUTLIER 'General case' 0 C--O 1.253 1.246 0 O-C-N 126.916 2.635 . . . . 26.76 109.913 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.53 -40.51 11.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 130.878 3.671 . . . . 20.0 116.981 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -61.53 -40.62 95.31 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 117.67 -3.144 . . . . 42.55 109.563 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.0 -34.38 16.0 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 119.769 -1.832 . . . . 20.28 114.029 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.34 -8.39 46.98 Favored Glycine 0 C--O 1.256 1.531 0 CA-C-O 114.869 -3.184 . . . . 19.26 117.743 -176.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.58 -173.7 54.26 Favored Glycine 0 C--O 1.261 1.812 0 CA-C-N 123.31 3.555 . . . . 17.16 106.867 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.72 162.53 37.37 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 123.179 1.466 . . . . 14.02 111.738 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.48 126.74 52.89 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 126.752 2.021 . . . . 22.1 116.453 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.47 118.04 18.8 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 105.617 -1.994 . . . . 26.73 105.617 172.988 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 38.76 61.52 1.2 Allowed 'General case' 0 C--O 1.255 1.344 0 C-N-CA 125.889 1.676 . . . . 24.01 112.491 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.8 -7.86 47.19 Favored Glycine 0 C--O 1.269 2.298 0 N-CA-C 120.006 2.762 . . . . 21.59 120.006 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 t -106.48 130.28 58.52 Favored 'Isoleucine or valine' 0 C--O 1.259 1.555 0 CA-C-N 120.01 1.905 . . . . 18.46 109.571 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -97.4 117.21 31.14 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 125.548 2.594 . . . . 14.34 107.018 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -103.0 154.78 18.89 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.355 -1.466 . . . . 15.2 110.958 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -103.36 143.42 15.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 102.702 -3.073 . . . . 17.59 102.702 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -74.57 116.8 15.68 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 127.757 3.161 . . . . 15.81 115.643 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mt -86.56 -45.88 10.66 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 125.762 1.914 . . . . 15.64 109.654 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -142.55 133.49 25.7 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 129.716 3.206 . . . . 28.08 115.08 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.66 117.96 7.37 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 116.792 -3.693 . . . . 13.99 111.862 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -141.47 -164.27 1.73 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 111.56 -2.563 . . . . 17.65 108.599 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -80.72 -18.65 47.12 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 126.495 1.918 . . . . 31.42 112.34 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -114.65 -35.46 4.86 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 127.365 2.915 . . . . 18.37 113.652 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.268 38.3 m -132.35 127.77 36.24 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 118.752 2.871 . . . . 10.58 118.752 -174.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.2 mt -120.17 118.95 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 O-C-N 128.716 3.76 . . . . 13.35 108.704 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -110.23 135.07 51.56 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 123.542 1.639 . . . . 13.41 110.07 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.66 147.21 18.51 Favored Glycine 0 C--O 1.262 1.9 0 CA-C-N 111.834 -2.439 . . . . 13.91 110.015 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -139.75 135.16 32.82 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 127.316 2.421 . . . . 30.85 106.637 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -138.64 95.05 2.91 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 101.553 -3.499 . . . . 39.62 101.553 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.25 -124.95 37.55 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 112.06 -2.337 . . . . 23.25 108.498 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -87.58 4.15 44.83 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.449 1.5 . . . . 34.89 111.388 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -108.78 168.48 9.32 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 128.259 3.474 . . . . 28.48 110.034 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.39 -176.54 46.39 Favored Glycine 0 N--CA 1.477 1.416 0 C-N-CA 116.948 -2.548 . . . . 7.95 108.703 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 p -147.97 141.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 127.109 2.299 . . . . 7.85 107.193 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' A' ' 110' ' ' ALA . 72.1 mt -117.66 116.88 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 109.651 -3.431 . . . . 13.89 106.362 179.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.4 p -116.02 132.7 56.58 Favored 'General case' 0 N--CA 1.492 1.647 1 O-C-N 130.782 5.051 . . . . 9.24 105.759 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.39 117.56 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.349 -2.66 . . . . 7.05 108.239 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . 0.684 ' NZ ' ' O ' ' A' ' 227' ' ' HOH . 23.0 tttt -85.14 129.6 34.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 126.415 2.322 . . . . 12.33 109.276 178.392 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -97.96 -162.24 0.94 Allowed 'General case' 0 C--N 1.295 -1.762 1 O-C-N 129.164 4.04 . . . . 9.19 108.676 176.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 p -67.97 -44.21 77.22 Favored 'General case' 0 C--O 1.276 2.474 0 O-C-N 121.565 -0.709 . . . . 13.54 112.014 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -122.04 -0.98 9.37 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 117.515 2.413 . . . . 11.49 117.515 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.28 170.57 17.01 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 118.392 0.542 . . . . 8.73 111.961 -173.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mt -128.4 128.15 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 O-C-N 128.31 3.506 . . . . 8.78 109.503 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 34.5 mt -94.64 132.51 39.28 Favored 'General case' 0 C--N 1.309 -1.194 1 O-C-N 129.366 4.166 . . . . 12.43 108.057 177.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.65 118.69 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 1 O-C-N 129.952 4.532 . . . . 15.38 108.786 176.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.19 100.3 0.66 Allowed Glycine 0 C--N 1.283 -2.362 0 O-C-N 126.446 2.341 . . . . 5.54 110.499 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -83.91 137.3 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-O 117.832 -1.08 . . . . 14.03 111.664 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -127.43 159.28 34.98 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 121.08 1.764 . . . . 17.73 111.118 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 252' ' ' HOH . 53.0 p30 -111.26 176.94 4.82 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.884 1.326 . . . . 22.1 109.211 178.367 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.56 -9.01 3.21 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 112.382 -2.19 . . . . 50.32 112.638 -178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.64 1.52 55.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.54 -1.35 . . . . 46.15 110.463 -179.455 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.6 mt -118.71 141.99 35.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 124.074 1.892 . . . . 24.65 111.499 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -73.32 122.25 87.17 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 103.365 -2.828 . . . . 24.86 103.365 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -59.79 -41.6 53.26 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.189 3.26 . . . . 24.02 112.869 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.94 85.84 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 128.064 2.745 . . . . 23.13 107.57 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 m -71.08 -41.56 70.5 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 115.61 1.708 . . . . 16.97 115.61 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.47 95.0 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 120.712 -1.242 . . . . 12.0 110.419 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . 0.544 ' N ' ' CD1' ' A' ' 87' ' ' ILE . . . -64.13 -49.94 70.21 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.654 1.582 . . . . 9.69 110.372 -178.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -61.55 -40.03 93.21 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 126.185 2.178 . . . . 18.37 107.684 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.0 t -68.72 -45.29 81.43 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 121.412 1.914 . . . . 9.5 113.406 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.47 -47.31 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 122.143 2.247 . . . . 10.67 110.83 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -56.49 -42.55 78.47 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 129.123 2.969 . . . . 12.52 111.061 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -72.05 -35.91 69.45 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 118.954 -2.341 . . . . 12.55 112.209 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -30.87 68.26 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-N 120.564 1.529 . . . . 8.53 107.589 179.384 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.42 -51.7 58.45 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 126.309 2.256 . . . . 8.83 106.587 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.01 -47.06 65.14 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 127.939 3.274 . . . . 16.35 110.874 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.59 -37.21 84.42 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.631 -0.827 . . . . 17.81 111.478 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . 0.267 93.9 mt -71.97 -37.81 69.85 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 117.919 -1.038 . . . . 12.08 113.134 -178.062 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 124' ' ' GLY . 5.4 mt -58.07 -56.21 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 125.067 2.365 . . . . 14.89 108.483 175.536 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -47.96 -21.1 1.51 Allowed Glycine 0 C--N 1.307 -1.047 0 C-N-CA 127.739 2.59 . . . . 14.73 111.016 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -94.09 -11.83 29.76 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 116.774 -3.78 . . . . 31.07 107.036 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' ILE . . . 105.67 11.13 29.41 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 115.606 -3.188 . . . . 9.24 112.575 -176.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.249 1.071 1 CA-C-O 110.9 -4.381 . . . . 12.28 110.785 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . 0.491 ' O ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . 0.684 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . 0.737 ' O ' ' O ' ' A' ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . 0.43 ' O ' ' ND2' ' A' ' 101' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 117.015 -1.469 . . . . 23.19 107.478 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -66.65 -43.62 84.13 Favored 'General case' 0 CA--C 1.564 1.514 0 O-C-N 125.635 1.835 . . . . 13.89 108.99 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -56.84 -49.68 74.69 Favored 'General case' 0 C--O 1.273 2.321 0 C-N-CA 126.211 1.805 . . . . 11.27 110.143 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.9 m -54.9 -44.77 74.44 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 115.589 1.699 . . . . 12.53 115.589 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -50.85 -53.12 35.0 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 121.534 1.97 . . . . 33.19 111.144 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.45 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 C-N-CA 129.392 3.077 . . . . 14.79 111.363 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -67.56 -57.12 7.04 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 122.297 1.046 . . . . 12.81 112.964 -175.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -82.85 -46.32 13.18 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 119.549 3.166 . . . . 14.74 119.549 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -85.33 -18.49 33.65 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.576 -1.327 . . . . 11.06 113.051 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.624 HD13 ' HB1' ' A' ' 19' ' ' ALA . 18.0 mt -110.22 -71.18 0.77 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.672 1.225 . . . . 9.16 113.352 178.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.39 -51.08 75.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 C-N-CA 126.536 1.934 . . . . 15.51 108.037 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . 0.737 ' O ' ' O ' ' A' ' 237' ' ' HOH . . . -49.39 -20.23 2.29 Favored Glycine 0 C--O 1.271 2.422 0 O-C-N 125.848 1.968 . . . . 15.82 117.647 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 p -87.02 -20.49 27.13 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 119.44 -2.212 . . . . 19.31 114.53 -176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 242' ' ' HOH . . . 76.24 12.71 83.95 Favored Glycine 0 CA--C 1.479 -2.159 0 O-C-N 125.892 1.995 . . . . 15.34 117.985 -178.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.25 -9.48 30.24 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 123.897 1.808 . . . . 13.5 108.171 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -140.39 141.38 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 110.331 -3.122 . . . . 17.9 107.598 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 18' ' ' GLN . 6.0 m -89.31 -46.62 8.62 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 127.143 2.177 . . . . 19.76 114.002 -178.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . 0.618 ' HG3' HG22 ' A' ' 17' ' ' THR . 37.9 mt-30 -135.05 137.93 43.4 Favored 'General case' 0 C--O 1.262 1.731 0 CA-C-O 114.854 -2.498 . . . . 11.55 106.525 -178.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . 0.624 ' HB1' HD13 ' A' ' 10' ' ' LEU . . . -142.65 148.21 37.03 Favored 'General case' 0 N--CA 1.523 3.176 0 O-C-N 129.066 3.979 . . . . 5.74 111.127 -179.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.89 41.05 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 118.609 -2.557 . . . . 8.5 106.123 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' A' ' 96' ' ' LEU . 45.0 mt -127.38 116.86 45.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 O-C-N 127.81 3.194 . . . . 11.37 106.998 176.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.9 166.73 10.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 127.412 2.945 . . . . 11.28 115.664 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.67 157.18 22.86 Favored Glycine 0 CA--C 1.556 2.594 0 N-CA-C 105.21 -3.156 . . . . 11.77 105.21 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.7 -9.86 52.93 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 117.722 -1.133 . . . . 14.4 109.451 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 43' ' ' THR . 26.2 p-10 -88.35 -1.6 58.13 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 118.724 -1.191 . . . . 15.01 109.09 174.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.76 3.33 86.02 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 126.994 2.684 . . . . 16.68 116.91 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -84.75 140.73 31.04 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 120.348 2.074 . . . . 23.4 107.92 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -75.3 141.87 43.34 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.954 -1.021 . . . . 11.76 109.696 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -100.15 -38.9 8.33 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.401 1.688 . . . . 13.02 108.425 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.59 147.5 13.87 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 125.054 1.471 . . . . 10.24 108.709 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -140.91 152.81 45.33 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 113.28 -1.782 . . . . 7.43 113.734 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 p -73.24 139.02 45.92 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.51 -1.292 . . . . 10.93 107.51 176.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.43 126.9 3.63 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 125.749 1.906 . . . . 11.76 109.948 -176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.85 -10.55 38.96 Favored Glycine 0 C--O 1.266 2.113 0 N-CA-C 118.229 2.052 . . . . 10.64 118.229 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -91.08 125.1 35.76 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.46 2.63 . . . . 12.36 108.754 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -130.18 107.91 9.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 118.52 -2.613 . . . . 18.29 117.976 -179.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . 0.436 HG22 HD12 ' A' ' 62' ' ' LEU . 50.3 t -93.96 117.03 36.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 104.311 -2.477 . . . . 21.07 104.311 176.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 39' ' ' PRO 0.271 20.2 p -78.28 165.71 48.24 Favored Pre-proline 0 C--O 1.272 2.264 0 C-N-CA 114.57 -2.852 . . . . 19.81 109.519 -177.775 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 89.8 Cg_exo -52.58 -57.39 2.1 Favored 'Trans proline' 0 C--O 1.239 0.536 0 O-C-N 125.979 2.568 . . . . 18.62 108.24 178.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.52 -50.43 31.99 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 108.677 -3.874 . . . . 19.06 110.008 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 55.8 mt-30 -64.3 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 116.219 -1.848 . . . . 20.71 110.891 179.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.66 -48.06 84.39 Favored Glycine 0 C--N 1.3 -1.439 1 O-C-N 130.921 5.138 . . . . 17.15 112.689 179.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 25' ' ' ASP 0.431 2.5 p -66.19 -32.26 73.59 Favored 'General case' 0 C--O 1.275 2.4 0 O-C-N 125.244 1.202 . . . . 26.5 110.137 179.775 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -66.02 -42.62 89.41 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 117.732 -1.587 . . . . 16.81 111.842 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.5 -58.13 9.93 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 126.143 1.777 . . . . 16.4 108.308 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.82 -55.6 9.36 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 133.121 6.513 . . . . 16.59 109.344 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.0 -44.35 25.38 Favored Glycine 0 C--O 1.251 1.201 0 C-N-CA 126.623 2.059 . . . . 12.33 112.916 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 51' ' ' ASN . . . -67.54 -25.02 65.61 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 114.208 -0.996 . . . . 11.35 110.627 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -63.91 -33.65 76.18 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 116.185 -2.206 . . . . 15.94 106.185 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -76.59 -62.2 1.71 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 126.397 2.31 . . . . 28.03 110.565 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 48' ' ' ALA . 35.7 t30 -127.9 112.42 14.68 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 113.318 -3.23 . . . . 18.5 105.642 179.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 235' ' ' HOH . . . -90.6 24.57 2.61 Favored 'General case' 0 C--N 1.281 -2.412 0 O-C-N 128.207 3.442 . . . . 21.18 112.127 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.82 -62.32 1.8 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.941 1.401 . . . . 43.31 110.416 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 205' ' ' HOH . . . -41.51 -74.48 0.04 OUTLIER 'General case' 0 C--O 1.253 1.246 0 O-C-N 126.916 2.635 . . . . 26.76 109.913 178.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.53 -40.51 11.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 130.878 3.671 . . . . 20.0 116.981 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 3.1 tpp85 -61.53 -40.62 95.31 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 117.67 -3.144 . . . . 42.55 109.563 -178.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.0 -34.38 16.0 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 119.769 -1.832 . . . . 20.28 114.029 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.34 -8.39 46.98 Favored Glycine 0 C--O 1.256 1.531 0 CA-C-O 114.869 -3.184 . . . . 19.26 117.743 -176.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.58 -173.7 54.26 Favored Glycine 0 C--O 1.261 1.812 0 CA-C-N 123.31 3.555 . . . . 17.16 106.867 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.72 162.53 37.37 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 123.179 1.466 . . . . 14.02 111.738 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 59.5 m-20 -107.48 126.74 52.89 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 126.752 2.021 . . . . 22.1 116.453 178.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . 0.436 HD12 HG22 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -132.47 118.04 18.8 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 105.617 -1.994 . . . . 26.73 105.617 172.988 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . 38.76 61.52 1.2 Allowed 'General case' 0 C--O 1.255 1.344 0 C-N-CA 125.889 1.676 . . . . 24.01 112.491 177.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.8 -7.86 47.19 Favored Glycine 0 C--O 1.269 2.298 0 N-CA-C 120.006 2.762 . . . . 21.59 120.006 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 t -106.48 130.28 58.52 Favored 'Isoleucine or valine' 0 C--O 1.259 1.555 0 CA-C-N 120.01 1.905 . . . . 18.46 109.571 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -97.4 117.21 31.14 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 125.548 2.594 . . . . 14.34 107.018 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -103.0 154.78 18.89 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.355 -1.466 . . . . 15.2 110.958 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -103.36 143.42 15.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 102.702 -3.073 . . . . 17.59 102.702 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -74.57 116.8 15.68 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 127.757 3.161 . . . . 15.81 115.643 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mt -86.56 -45.88 10.66 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 125.762 1.914 . . . . 15.64 109.654 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -142.55 133.49 25.7 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 129.716 3.206 . . . . 28.08 115.08 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.66 117.96 7.37 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 116.792 -3.693 . . . . 13.99 111.862 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -141.47 -164.27 1.73 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 111.56 -2.563 . . . . 17.65 108.599 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -80.72 -18.65 47.12 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 126.495 1.918 . . . . 31.42 112.34 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -114.65 -35.46 4.86 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 127.365 2.915 . . . . 18.37 113.652 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.268 38.3 m -132.35 127.77 36.24 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 118.752 2.871 . . . . 10.58 118.752 -174.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.2 mt -120.17 118.95 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 O-C-N 128.716 3.76 . . . . 13.35 108.704 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . 0.484 ' CE1' HG23 ' A' ' 87' ' ' ILE . 8.2 m-30 -110.23 135.07 51.56 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 123.542 1.639 . . . . 13.41 110.07 179.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.66 147.21 18.51 Favored Glycine 0 C--O 1.262 1.9 0 CA-C-N 111.834 -2.439 . . . . 13.91 110.015 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -139.75 135.16 32.82 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 127.316 2.421 . . . . 30.85 106.637 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -138.64 95.05 2.91 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 101.553 -3.499 . . . . 39.62 101.553 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.25 -124.95 37.55 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 112.06 -2.337 . . . . 23.25 108.498 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -87.58 4.15 44.83 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.449 1.5 . . . . 34.89 111.388 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -108.78 168.48 9.32 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 128.259 3.474 . . . . 28.48 110.034 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.39 -176.54 46.39 Favored Glycine 0 N--CA 1.477 1.416 0 C-N-CA 116.948 -2.548 . . . . 7.95 108.703 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 p -147.97 141.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 127.109 2.299 . . . . 7.85 107.193 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . 1.059 HD13 ' HA ' ' A' ' 110' ' ' ALA . 72.1 mt -117.66 116.88 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 109.651 -3.431 . . . . 13.89 106.362 179.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 67.4 p -116.02 132.7 56.58 Favored 'General case' 0 N--CA 1.492 1.647 1 O-C-N 130.782 5.051 . . . . 9.24 105.759 177.334 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.39 117.56 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.349 -2.66 . . . . 7.05 108.239 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' THR . 23.0 tttt -85.14 129.6 34.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 126.415 2.322 . . . . 12.33 109.276 178.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 70.8 p -97.96 -162.24 0.94 Allowed 'General case' 0 C--N 1.295 -1.762 1 O-C-N 129.164 4.04 . . . . 9.19 108.676 176.702 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 p -67.97 -44.21 77.22 Favored 'General case' 0 C--O 1.276 2.474 0 O-C-N 121.565 -0.709 . . . . 13.54 112.014 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -122.04 -0.98 9.37 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 117.515 2.413 . . . . 11.49 117.515 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.28 170.57 17.01 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 118.392 0.542 . . . . 8.73 111.961 -173.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mt -128.4 128.15 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 O-C-N 128.31 3.506 . . . . 8.78 109.503 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 21' ' ' ILE . 34.5 mt -94.64 132.51 39.28 Favored 'General case' 0 C--N 1.309 -1.194 1 O-C-N 129.366 4.166 . . . . 12.43 108.057 177.972 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.65 118.69 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 1 O-C-N 129.952 4.532 . . . . 15.38 108.786 176.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.19 100.3 0.66 Allowed Glycine 0 C--N 1.283 -2.362 0 O-C-N 126.446 2.341 . . . . 5.54 110.499 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -83.91 137.3 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-O 117.832 -1.08 . . . . 14.03 111.664 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -127.43 159.28 34.98 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 121.08 1.764 . . . . 17.73 111.118 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -111.26 176.94 4.82 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.884 1.326 . . . . 22.1 109.211 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 7.1 mp0 -60.56 -9.01 3.21 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 112.382 -2.19 . . . . 50.32 112.638 -178.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.64 1.52 55.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.54 -1.35 . . . . 46.15 110.463 -179.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.6 mt -118.71 141.99 35.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 124.074 1.892 . . . . 24.65 111.499 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -73.32 122.25 87.17 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 103.365 -2.828 . . . . 24.86 103.365 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' A' ' 230' ' ' HOH . 39.0 Cg_exo -59.79 -41.6 53.26 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.189 3.26 . . . . 24.02 112.869 -179.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.94 85.84 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 128.064 2.745 . . . . 23.13 107.57 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 m -71.08 -41.56 70.5 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 115.61 1.708 . . . . 16.97 115.61 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 113' ' ' VAL . . . -59.95 -43.47 95.0 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 120.712 -1.242 . . . . 12.0 110.419 178.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . 1.059 ' HA ' HD13 ' A' ' 87' ' ' ILE . . . -64.13 -49.94 70.21 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.654 1.582 . . . . 9.69 110.372 -178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -61.55 -40.03 93.21 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 126.185 2.178 . . . . 18.37 107.684 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.0 t -68.72 -45.29 81.43 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 121.412 1.914 . . . . 9.5 113.406 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 109' ' ' ALA . 21.2 t -66.47 -47.31 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 122.143 2.247 . . . . 10.67 110.83 -178.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -56.49 -42.55 78.47 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 129.123 2.969 . . . . 12.52 111.061 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -72.05 -35.91 69.45 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 118.954 -2.341 . . . . 12.55 112.209 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -30.87 68.26 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-N 120.564 1.529 . . . . 8.53 107.589 179.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.42 -51.7 58.45 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 126.309 2.256 . . . . 8.83 106.587 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.01 -47.06 65.14 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 127.939 3.274 . . . . 16.35 110.874 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.59 -37.21 84.42 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.631 -0.827 . . . . 17.81 111.478 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . 0.267 93.9 mt -71.97 -37.81 69.85 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 117.919 -1.038 . . . . 12.08 113.134 -178.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.4 mt -58.07 -56.21 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 125.067 2.365 . . . . 14.89 108.483 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -47.96 -21.1 1.51 Allowed Glycine 0 C--N 1.307 -1.047 0 C-N-CA 127.739 2.59 . . . . 14.73 111.016 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -94.09 -11.83 29.76 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 116.774 -3.78 . . . . 31.07 107.036 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.67 11.13 29.41 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 115.606 -3.188 . . . . 9.24 112.575 -176.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.249 1.071 1 CA-C-O 110.9 -4.381 . . . . 12.28 110.785 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.529 ' O ' ' HB3' ' A' ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . 0.407 ' O ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . 0.539 ' O ' ' HD2' ' A' ' 106' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . 0.423 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . 0.737 ' O ' ' O ' ' A' ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . 0.415 ' O ' ' HA2' ' A' ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 117.015 -1.469 . . . . 23.190000000000001 107.478 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -66.65 -43.62 84.13 Favored 'General case' 0 CA--C 1.564 1.514 0 O-C-N 125.635 1.835 . . . . 13.890000000000001 108.99 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -56.84 -49.68 74.69 Favored 'General case' 0 C--O 1.273 2.321 0 C-N-CA 126.211 1.805 . . . . 11.27 110.143 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.9 m -54.9 -44.77 74.44 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 115.589 1.699 . . . . 12.529999999999999 115.589 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -50.85 -53.12 35.0 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 121.534 1.97 . . . . 33.189999999999998 111.144 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.45 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 C-N-CA 129.392 3.077 . . . . 14.789999999999999 111.363 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -67.56 -57.12 7.04 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 122.297 1.046 . . . . 12.81 112.964 -175.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -82.85 -46.32 13.18 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 119.549 3.166 . . . . 14.74 119.549 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -85.33 -18.49 33.65 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.576 -1.327 . . . . 11.06 113.051 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.624 HD13 ' HB1' ' A' ' 19' ' ' ALA . 18.0 mt -110.22 -71.18 0.77 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.672 1.225 . . . . 9.1600000000000001 113.352 178.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.39 -51.08 75.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 C-N-CA 126.536 1.934 . . . . 15.51 108.037 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.737 ' O ' ' O ' ' A' ' 237' ' ' HOH . . . -49.39 -20.23 2.29 Favored Glycine 0 C--O 1.271 2.422 0 O-C-N 125.848 1.968 . . . . 15.82 117.647 178.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 p -87.02 -20.49 27.13 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 119.44 -2.212 . . . . 19.309999999999999 114.53 -176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 242' ' ' HOH . . . 76.24 12.71 83.95 Favored Glycine 0 CA--C 1.479 -2.159 0 O-C-N 125.892 1.995 . . . . 15.34 117.985 -178.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.25 -9.48 30.24 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 123.897 1.808 . . . . 13.5 108.171 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -140.39 141.38 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 110.331 -3.122 . . . . 17.899999999999999 107.598 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 18' ' ' GLN . 6.0 m -89.31 -46.62 8.62 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 127.143 2.177 . . . . 19.760000000000002 114.002 -178.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.618 ' HG3' HG22 ' A' ' 17' ' ' THR . 37.9 mt-30 -135.05 137.93 43.4 Favored 'General case' 0 C--O 1.262 1.731 0 CA-C-O 114.854 -2.498 . . . . 11.550000000000001 106.525 -178.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.624 ' HB1' HD13 ' A' ' 10' ' ' LEU . . . -142.65 148.21 37.03 Favored 'General case' 0 N--CA 1.523 3.176 0 O-C-N 129.066 3.979 . . . . 5.7400000000000002 111.127 -179.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.89 41.05 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 118.609 -2.557 . . . . 8.5 106.123 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' A' ' 96' ' ' LEU . 45.0 mt -127.38 116.86 45.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 O-C-N 127.81 3.194 . . . . 11.369999999999999 106.998 176.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.9 166.73 10.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 127.412 2.945 . . . . 11.279999999999999 115.664 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.67 157.18 22.86 Favored Glycine 0 CA--C 1.556 2.594 0 N-CA-C 105.21 -3.156 . . . . 11.77 105.21 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.7 -9.86 52.93 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-O 117.722 -1.133 . . . . 14.4 109.451 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' HG22 ' A' ' 43' ' ' THR . 26.2 p-10 -88.35 -1.6 58.13 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 118.724 -1.191 . . . . 15.01 109.09 174.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.76 3.33 86.02 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 126.994 2.684 . . . . 16.68 116.91 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -84.75 140.73 31.04 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 120.348 2.074 . . . . 23.399999999999999 107.92 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -75.3 141.87 43.34 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.954 -1.021 . . . . 11.76 109.696 -177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -100.15 -38.9 8.33 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.401 1.688 . . . . 13.02 108.425 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.59 147.5 13.87 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 125.054 1.471 . . . . 10.24 108.709 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -140.91 152.81 45.33 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 113.28 -1.782 . . . . 7.4299999999999997 113.734 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 p -73.24 139.02 45.92 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.51 -1.292 . . . . 10.93 107.51 176.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.43 126.9 3.63 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 125.749 1.906 . . . . 11.76 109.948 -176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.85 -10.55 38.96 Favored Glycine 0 C--O 1.266 2.113 0 N-CA-C 118.229 2.052 . . . . 10.640000000000001 118.229 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -91.08 125.1 35.76 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.46 2.63 . . . . 12.359999999999999 108.754 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 63' ' ' ALA . . . -130.18 107.91 9.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 118.52 -2.613 . . . . 18.289999999999999 117.976 -179.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.436 HG22 HD12 ' A' ' 62' ' ' LEU . 50.3 t -93.96 117.03 36.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 104.311 -2.477 . . . . 21.07 104.311 176.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . 0.759 ' H ' ' NE2' ' A' ' 41' ' ' GLN 0.271 20.2 p -78.28 165.71 48.24 Favored Pre-proline 0 C--O 1.272 2.264 0 C-N-CA 114.57 -2.852 . . . . 19.809999999999999 109.519 -177.775 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 89.8 Cg_exo -52.58 -57.39 2.1 Favored 'Trans proline' 0 C--O 1.239 0.536 0 O-C-N 125.979 2.568 . . . . 18.620000000000001 108.24 178.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.52 -50.43 31.99 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 108.677 -3.874 . . . . 19.059999999999999 110.008 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.759 ' NE2' ' H ' ' A' ' 38' ' ' THR . 10.6 mt-30 -64.3 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 116.219 -1.848 . . . . 20.710000000000001 110.891 179.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.66 -48.06 84.39 Favored Glycine 0 C--N 1.3 -1.439 1 O-C-N 130.921 5.138 . . . . 17.149999999999999 112.689 179.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 25' ' ' ASP 0.431 2.5 p -66.19 -32.26 73.59 Favored 'General case' 0 C--O 1.275 2.4 0 O-C-N 125.244 1.202 . . . . 26.5 110.137 179.775 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -66.02 -42.62 89.41 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 117.732 -1.587 . . . . 16.809999999999999 111.842 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.5 -58.13 9.93 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 126.143 1.777 . . . . 16.399999999999999 108.308 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.82 -55.6 9.36 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 133.121 6.513 . . . . 16.59 109.344 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.0 -44.35 25.38 Favored Glycine 0 C--O 1.251 1.201 0 C-N-CA 126.623 2.059 . . . . 12.33 112.916 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 51' ' ' ASN . . . -67.54 -25.02 65.61 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 114.208 -0.996 . . . . 11.35 110.627 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -63.91 -33.65 76.18 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 116.185 -2.206 . . . . 15.94 106.185 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -76.59 -62.2 1.71 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 126.397 2.31 . . . . 28.030000000000001 110.565 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 48' ' ' ALA . 35.7 t30 -127.9 112.42 14.68 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 113.318 -3.23 . . . . 18.5 105.642 179.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 235' ' ' HOH . . . -90.6 24.57 2.61 Favored 'General case' 0 C--N 1.281 -2.412 0 O-C-N 128.207 3.442 . . . . 21.18 112.127 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.82 -62.32 1.8 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 124.941 1.401 . . . . 43.310000000000002 110.416 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 205' ' ' HOH . . . -41.51 -74.48 0.04 OUTLIER 'General case' 0 C--O 1.253 1.246 0 O-C-N 126.916 2.635 . . . . 26.760000000000002 109.913 178.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -48.53 -40.51 11.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 130.878 3.671 . . . . 20.0 116.981 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 3.1 tpp85 -61.53 -40.62 95.31 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 117.67 -3.144 . . . . 42.549999999999997 109.563 -178.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.0 -34.38 16.0 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 119.769 -1.832 . . . . 20.280000000000001 114.029 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.34 -8.39 46.98 Favored Glycine 0 C--O 1.256 1.531 0 CA-C-O 114.869 -3.184 . . . . 19.260000000000002 117.743 -176.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.58 -173.7 54.26 Favored Glycine 0 C--O 1.261 1.812 0 CA-C-N 123.31 3.555 . . . . 17.16 106.867 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.72 162.53 37.37 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 123.179 1.466 . . . . 14.02 111.738 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 59.5 m-20 -107.48 126.74 52.89 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 126.752 2.021 . . . . 22.100000000000001 116.453 178.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.436 HD12 HG22 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -132.47 118.04 18.8 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 105.617 -1.994 . . . . 26.73 105.617 172.988 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . 38.76 61.52 1.2 Allowed 'General case' 0 C--O 1.255 1.344 0 C-N-CA 125.889 1.676 . . . . 24.010000000000002 112.491 177.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.8 -7.86 47.19 Favored Glycine 0 C--O 1.269 2.298 0 N-CA-C 120.006 2.762 . . . . 21.59 120.006 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 t -106.48 130.28 58.52 Favored 'Isoleucine or valine' 0 C--O 1.259 1.555 0 CA-C-N 120.01 1.905 . . . . 18.460000000000001 109.571 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -97.4 117.21 31.14 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 125.548 2.594 . . . . 14.34 107.018 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -103.0 154.78 18.89 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.355 -1.466 . . . . 15.199999999999999 110.958 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -103.36 143.42 15.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 102.702 -3.073 . . . . 17.59 102.702 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -74.57 116.8 15.68 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 127.757 3.161 . . . . 15.81 115.643 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mt -86.56 -45.88 10.66 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 125.762 1.914 . . . . 15.640000000000001 109.654 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -142.55 133.49 25.7 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 129.716 3.206 . . . . 28.079999999999998 115.08 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.66 117.96 7.37 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 116.792 -3.693 . . . . 13.99 111.862 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -141.47 -164.27 1.73 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 111.56 -2.563 . . . . 17.649999999999999 108.599 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -80.72 -18.65 47.12 Favored 'General case' 0 C--N 1.29 -2.009 0 C-N-CA 126.495 1.918 . . . . 31.420000000000002 112.34 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -114.65 -35.46 4.86 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 127.365 2.915 . . . . 18.370000000000001 113.652 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.268 38.3 m -132.35 127.77 36.24 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 118.752 2.871 . . . . 10.58 118.752 -174.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.2 mt -120.17 118.95 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 O-C-N 128.716 3.76 . . . . 13.35 108.704 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.484 ' CE1' HG23 ' A' ' 87' ' ' ILE . 8.2 m-30 -110.23 135.07 51.56 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 123.542 1.639 . . . . 13.41 110.07 179.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.66 147.21 18.51 Favored Glycine 0 C--O 1.262 1.9 0 CA-C-N 111.834 -2.439 . . . . 13.91 110.015 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -139.75 135.16 32.82 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 127.316 2.421 . . . . 30.850000000000001 106.637 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -138.64 95.05 2.91 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 101.553 -3.499 . . . . 39.619999999999997 101.553 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.25 -124.95 37.55 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 112.06 -2.337 . . . . 23.25 108.498 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -87.58 4.15 44.83 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 125.449 1.5 . . . . 34.890000000000001 111.388 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -108.78 168.48 9.32 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 128.259 3.474 . . . . 28.48 110.034 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.39 -176.54 46.39 Favored Glycine 0 N--CA 1.477 1.416 0 C-N-CA 116.948 -2.548 . . . . 7.9500000000000002 108.703 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 p -147.97 141.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 127.109 2.299 . . . . 7.8499999999999996 107.193 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.059 HD13 ' HA ' ' A' ' 110' ' ' ALA . 72.1 mt -117.66 116.88 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 109.651 -3.431 . . . . 13.890000000000001 106.362 179.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 67.4 p -116.02 132.7 56.58 Favored 'General case' 0 N--CA 1.492 1.647 1 O-C-N 130.782 5.051 . . . . 9.2400000000000002 105.759 177.334 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.9 t -130.39 117.56 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.349 -2.66 . . . . 7.0499999999999998 108.239 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' THR . 23.0 tttt -85.14 129.6 34.77 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 126.415 2.322 . . . . 12.33 109.276 178.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 70.8 p -97.96 -162.24 0.94 Allowed 'General case' 0 C--N 1.295 -1.762 1 O-C-N 129.164 4.04 . . . . 9.1899999999999995 108.676 176.702 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 p -67.97 -44.21 77.22 Favored 'General case' 0 C--O 1.276 2.474 0 O-C-N 121.565 -0.709 . . . . 13.539999999999999 112.014 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -122.04 -0.98 9.37 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 117.515 2.413 . . . . 11.49 117.515 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.28 170.57 17.01 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 118.392 0.542 . . . . 8.7300000000000004 111.961 -173.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mt -128.4 128.15 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 O-C-N 128.31 3.506 . . . . 8.7799999999999994 109.503 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.513 ' CD2' HG12 ' A' ' 21' ' ' ILE . 34.5 mt -94.64 132.51 39.28 Favored 'General case' 0 C--N 1.309 -1.194 1 O-C-N 129.366 4.166 . . . . 12.43 108.057 177.972 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -124.65 118.69 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 1 O-C-N 129.952 4.532 . . . . 15.380000000000001 108.786 176.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.19 100.3 0.66 Allowed Glycine 0 C--N 1.283 -2.362 0 O-C-N 126.446 2.341 . . . . 5.54 110.499 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -83.91 137.3 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-O 117.832 -1.08 . . . . 14.029999999999999 111.664 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -127.43 159.28 34.98 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 121.08 1.764 . . . . 17.73 111.118 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -111.26 176.94 4.82 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.884 1.326 . . . . 22.100000000000001 109.211 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 7.1 mp0 -60.56 -9.01 3.21 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 112.382 -2.19 . . . . 50.32 112.638 -178.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.64 1.52 55.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.54 -1.35 . . . . 46.149999999999999 110.463 -179.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.6 mt -118.71 141.99 35.73 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 124.074 1.892 . . . . 24.649999999999999 111.499 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -73.32 122.25 87.17 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 103.365 -2.828 . . . . 24.859999999999999 103.365 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' A' ' 230' ' ' HOH . 39.0 Cg_exo -59.79 -41.6 53.26 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.189 3.26 . . . . 24.02 112.869 -179.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.94 85.84 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 128.064 2.745 . . . . 23.129999999999999 107.57 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 m -71.08 -41.56 70.5 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 115.61 1.708 . . . . 16.969999999999999 115.61 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 113' ' ' VAL . . . -59.95 -43.47 95.0 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 120.712 -1.242 . . . . 12.0 110.419 178.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.059 ' HA ' HD13 ' A' ' 87' ' ' ILE . . . -64.13 -49.94 70.21 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.654 1.582 . . . . 9.6899999999999995 110.372 -178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -61.55 -40.03 93.21 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 126.185 2.178 . . . . 18.370000000000001 107.684 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.0 t -68.72 -45.29 81.43 Favored 'Isoleucine or valine' 0 C--O 1.259 1.559 0 CA-C-N 121.412 1.914 . . . . 9.5 113.406 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 109' ' ' ALA . 21.2 t -66.47 -47.31 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 122.143 2.247 . . . . 10.67 110.83 -178.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -56.49 -42.55 78.47 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 129.123 2.969 . . . . 12.52 111.061 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -72.05 -35.91 69.45 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 118.954 -2.341 . . . . 12.550000000000001 112.209 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -30.87 68.26 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-N 120.564 1.529 . . . . 8.5299999999999994 107.589 179.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.42 -51.7 58.45 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 126.309 2.256 . . . . 8.8300000000000001 106.587 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -52.01 -47.06 65.14 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 127.939 3.274 . . . . 16.350000000000001 110.874 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.59 -37.21 84.42 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.631 -0.827 . . . . 17.809999999999999 111.478 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . 0.267 93.9 mt -71.97 -37.81 69.85 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 117.919 -1.038 . . . . 12.08 113.134 -178.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.4 mt -58.07 -56.21 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 125.067 2.365 . . . . 14.890000000000001 108.483 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -47.96 -21.1 1.51 Allowed Glycine 0 C--N 1.307 -1.047 0 C-N-CA 127.739 2.59 . . . . 14.73 111.016 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -94.09 -11.83 29.76 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 116.774 -3.78 . . . . 31.07 107.036 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.67 11.13 29.41 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 115.606 -3.188 . . . . 9.2400000000000002 112.575 -176.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.249 1.071 1 CA-C-O 110.9 -4.381 . . . . 12.279999999999999 110.785 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.529 ' O ' ' HB3' ' A' ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . 0.407 ' O ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . 0.539 ' O ' ' HD2' ' A' ' 106' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . 0.423 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . 0.737 ' O ' ' O ' ' A' ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . 0.415 ' O ' ' HA2' ' A' ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_