data_6s2n_residue ############################ # Computer software used # ############################ 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 6s2n _Structure_validation_residue.Date_analyzed 2020-04-24 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' ' ' LYS . . . . . 0.562 ' NZ ' ' O ' ' A' ' 204' ' ' HOH . 78.9 tttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.91 0.386 . . . . 13.78 111.55 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.48 104.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 106.218 -1.771 . . . . 7.7 106.218 175.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.57 154.68 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.885 0.85 . . . . 22.62 111.587 -174.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.43 156.39 37.1 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.954 -1.021 . . . . 18.64 111.296 164.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -55.48 -61.81 2.1 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.654 -0.418 . . . . 23.71 111.409 -175.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -72.77 -16.8 61.63 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.232 -0.587 . . . . 34.98 112.553 -179.918 -74.171 -55.038 -83.634 105.101 2.034 104.981 -38.546 -62.235 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -74.27 -39.57 62.89 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.715 -0.794 . . . . 19.19 111.082 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 tp -71.84 -37.8 70.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.329 -0.549 . . . . 9.55 111.394 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.22 75.31 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.326 -0.55 . . . . 10.35 111.546 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.06 80.49 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.496 -0.482 . . . . 5.94 111.267 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.87 71.77 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.28 -0.568 . . . . 6.35 111.833 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -71.2 -35.44 71.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.737 -0.785 . . . . 8.82 111.387 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.47 -38.88 88.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.23 -0.988 . . . . 32.8 110.978 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -66.1 -30.15 70.6 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.697 -0.401 . . . . 20.97 111.839 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -89.74 7.27 37.69 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.219 0.822 . . . . 18.11 113.219 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.84 27.93 25.14 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 116.045 1.178 . . . . 13.0 116.045 172.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.25 -24.75 19.77 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 118.312 1.056 . . . . 9.39 113.337 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -62.59 120.09 10.48 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 118.529 0.604 . . . . 22.27 110.268 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 60.58 29.19 18.83 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.405 0.682 . . . . 27.41 111.924 -177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -75.81 118.64 18.82 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.906 -0.776 . . . . 13.85 108.906 172.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 60.36 30.93 20.21 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.283 0.633 . . . . 29.54 111.666 -173.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.43 80.16 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 115.622 1.009 . . . . 7.87 115.622 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -107.9 115.53 30.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.504 1.152 . . . . 6.55 108.976 -177.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.26 169.04 3.84 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.141 0.972 . . . . 6.68 111.087 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.44 -38.06 86.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.064 -0.971 . . . . 11.83 111.484 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -22.57 65.24 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 120.613 -0.804 . . . . 7.72 113.907 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -71.2 -46.65 60.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.755 0.777 . . . . 8.49 111.052 176.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.7 -41.3 96.11 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.672 -0.411 . . . . 7.82 111.162 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.99 -37.97 81.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.623 -0.431 . . . . 5.1 110.395 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.91 -42.29 98.91 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.751 -0.78 . . . . 10.42 111.135 176.638 -173.926 -89.356 -93.179 104.12 2.031 103.397 -80.632 -59.435 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.33 75.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.466 -0.494 . . . . 6.55 111.996 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.38 82.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.613 -0.435 . . . . 7.98 111.198 177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . 0.687 ' O ' ' O ' ' A' ' 201' ' ' HOH . 17.5 tptm -60.02 -37.96 81.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.662 -0.415 . . . . 14.34 111.605 -177.652 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -96.73 0.25 49.28 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.492 0.923 . . . . 13.56 113.492 -174.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -105.31 -42.32 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.949 0.722 . . . . 8.76 112.949 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -130.5 -1.3 4.39 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 114.173 1.175 . . . . 4.51 114.173 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.5 t30 55.6 39.81 30.99 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.918 0.781 . . . . 6.83 111.19 -174.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 68.29 13.85 9.1 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.752 1.621 . . . . 11.6 113.54 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.63 124.77 43.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.708 0.685 . . . . 7.46 109.433 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 1' ' ' LYS . 24.5 p -73.56 -22.57 60.04 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.037 0.754 . . . . 7.31 113.037 -176.584 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -96.93 16.13 20.3 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.776 0.717 . . . . 5.41 112.868 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.85 137.51 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.227 0.537 . . . . 5.35 111.093 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.8 p -141.31 140.95 33.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.908 -0.775 . . . . 13.11 108.908 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.58 129.54 20.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.786 -0.45 . . . . 18.81 109.786 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NH2' ' O ' ' A' ' 211' ' ' HOH . 10.9 tpt180 -76.51 140.53 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 22.61 110.698 176.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -101.24 166.1 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.776 0.798 . . . . 25.87 110.282 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -71.14 -26.83 63.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.436 -0.802 . . . . 15.24 112.028 -175.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -86.09 2.37 46.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.114 0.783 . . . . 13.34 113.114 -176.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.55 -8.75 52.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 118.964 -0.909 . . . . 12.9 115.039 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -86.92 -179.6 6.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 118.437 1.118 . . . . 8.53 109.735 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 202' ' ' HOH . 63.2 m -145.99 138.15 25.29 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.422 -0.585 . . . . 10.51 109.422 -176.974 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -90.72 139.94 30.25 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.372 -0.603 . . . . 9.37 109.372 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -131.61 139.99 49.29 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.273 -0.422 . . . . 8.11 111.254 -175.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.79 -172.08 26.8 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-O 123.023 1.346 . . . . 7.61 113.918 161.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 tt -66.8 -24.32 32.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 113.661 -1.27 . . . . 10.13 111.8 -174.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.9 mt -119.9 12.18 11.99 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.619 0.599 . . . . 17.86 112.619 176.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 58.48 70.39 0.66 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.369 1.08 . . . . 5.07 111.391 168.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -88.69 133.15 31.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 114.296 -1.32 . . . . 10.19 109.201 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -83.96 140.05 32.17 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.129 -0.487 . . . . 14.51 111.365 -169.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.2 p -81.03 -11.66 59.49 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.269 0.84 . . . . 9.37 113.269 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' NH1' ' O ' ' A' ' 213' ' ' HOH . 18.9 tpp180 -64.93 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.43 0.559 . . . . 22.97 111.682 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -123.29 -35.78 2.91 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.36 1.244 . . . . 30.25 114.36 -171.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -103.08 -56.53 2.21 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.881 1.067 . . . . 21.97 113.881 -162.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.15 174.25 5.97 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.993 0.901 . . . . 9.1 110.77 -178.28 63.303 85.539 97.263 104.126 2.038 103.946 -60.115 -62.691 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -115.59 128.35 55.89 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.123 -0.944 . . . . 16.6 110.498 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -122.07 3.7 9.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.225 0.824 . . . . 10.4 113.225 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 7.46 49.9 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.6 1.0 . . . . 7.91 115.6 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -136.86 13.46 3.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 118.216 1.008 . . . . 12.98 111.434 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -109.92 97.61 30.06 Favored Pre-proline 0 C--O 1.24 0.574 0 N-CA-C 108.522 -0.918 . . . . 14.17 108.522 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -67.1 149.29 82.21 Favored 'Trans proline' 0 C--N 1.331 -0.346 0 CA-C-N 119.15 0.732 . . . . 16.19 111.621 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.88 25.73 70.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.27 -0.877 . . . . 21.29 114.78 -178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.4 p -94.44 165.97 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.096 0.95 . . . . 18.87 111.006 -174.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -114.1 159.65 19.79 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.858 -1.064 . . . . 29.16 109.338 171.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -125.74 71.98 1.26 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.623 -1.251 . . . . 15.54 107.623 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.0 -38.77 69.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.899 -0.592 . . . . 27.32 111.576 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.5 m -79.42 -5.24 54.24 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.562 -0.855 . . . . 13.83 112.775 178.998 -75.123 177.41 89.772 104.512 2.031 104.823 51.224 -174.012 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 m120 56.48 47.72 18.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.541 0.737 . . . . 35.35 112.13 173.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 pt -144.69 154.79 56.28 Favored Pre-proline 0 C--O 1.237 0.423 0 N-CA-C 109.405 -0.591 . . . . 10.52 109.405 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.14 137.82 35.21 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 N-CA-C 109.663 -0.937 . . . . 12.4 109.663 165.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 71.6 m -58.87 -24.59 62.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.859 -0.61 . . . . 6.98 111.989 -179.787 -62.691 -60.115 97.263 103.946 2.038 104.126 85.539 63.303 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.0 p -66.64 -26.1 66.9 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.576 -0.45 . . . . 8.79 111.443 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -21.66 66.65 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.175 0.435 . . . . 9.19 112.175 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.8 mt -78.63 0.42 26.53 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.902 0.705 . . . . 10.44 112.902 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.0 mt -108.9 16.77 22.43 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.559 0.618 . . . . 10.76 112.377 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 t -84.61 158.23 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.819 0.819 . . . . 11.72 111.179 -175.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.54 -11.04 40.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.345 -0.843 . . . . 11.89 112.697 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -103.86 120.38 40.89 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.192 -1.04 . . . . 15.86 108.192 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.8 pt -86.48 13.58 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 120.555 0.216 . . . . 9.2 110.794 -172.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.5 m -62.26 -44.79 95.75 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.502 -0.479 . . . . 7.85 111.356 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.06 87.62 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.124 -0.63 . . . . 6.89 111.399 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 m -70.51 -31.39 68.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.398 -0.521 . . . . 8.71 111.966 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.74 -46.04 63.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.227 -0.589 . . . . 8.77 110.481 -179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.77 -37.79 88.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.333 -0.547 . . . . 14.2 111.367 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.42 -35.16 75.45 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.809 -0.756 . . . . 9.35 111.643 179.259 -174.012 51.224 89.772 104.823 2.031 104.512 177.41 -75.123 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.73 66.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.519 -0.472 . . . . 7.63 111.836 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.68 -38.73 78.86 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.254 -0.578 . . . . 12.1 111.094 174.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -73.46 -25.02 60.3 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.501 -0.48 . . . . 14.49 112.274 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.9 mt -75.59 -50.48 23.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.099 0.476 . . . . 9.59 110.747 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.8 -18.52 23.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 O-C-N 121.891 -0.506 . . . . 11.26 111.842 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 m -89.89 11.23 20.95 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.871 0.693 . . . . 10.03 112.871 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.03 18.37 12.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.927 0.714 . . . . 16.1 112.927 -170.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.44 -55.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.883 -0.675 . . . . 21.73 114.523 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -84.26 2.96 37.6 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.428 0.899 . . . . 34.24 113.428 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.32 -146.44 50.33 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.856 -1.164 . . . . 6.78 111.832 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.2 mmm -68.98 -8.98 49.84 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 113.105 0.78 . . . . 5.79 113.105 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.69 -14.11 40.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.455 0.57 . . . . 11.48 112.192 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.82 -11.41 46.04 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.865 0.691 . . . . 6.7 112.865 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -108.54 103.46 12.58 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.298 -1.371 . . . . 6.71 107.298 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.67 -28.13 43.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.696 -0.402 . . . . 15.85 111.21 -174.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.52 76.22 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.003 -0.679 . . . . 6.66 111.293 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -65.19 -45.8 83.33 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.197 -0.601 . . . . 16.9 110.946 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 208' ' ' HOH . 60.6 ttp85 -64.02 -31.13 72.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.353 -0.539 . . . . 22.43 111.794 -177.808 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.0 -21.14 18.19 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.811 1.041 . . . . 12.46 113.811 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 206' ' ' HOH . 53.6 mtp180 -127.07 -9.9 5.94 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.703 1.371 . . . . 7.63 114.703 -174.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.68 -41.36 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.199 0.909 . . . . 7.71 113.303 -179.975 -59.435 -80.632 -93.179 103.397 2.031 104.12 -89.356 -173.926 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.78 128.1 35.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.888 0.375 . . . . 7.48 110.98 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.65 -3.66 86.14 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 115.281 0.872 . . . . 10.52 115.281 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.4 p -100.3 175.6 5.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.491 1.146 . . . . 10.0 110.423 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -77.81 84.94 4.11 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.335 1.064 . . . . 21.43 108.328 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 30.7 m -71.61 -24.32 23.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.199 -0.91 . . . . 18.88 111.101 -177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 205' ' ' HOH . 1.6 tm0? -61.59 -26.96 68.3 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.89 -0.507 . . . . 26.0 111.802 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.25 -3.74 4.36 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.163 0.801 . . . . 19.2 113.163 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -87.21 -24.13 24.53 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.073 0.851 . . . . 16.28 112.668 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.4 pt -96.15 38.6 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.47 -0.937 . . . . 22.24 108.47 172.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.25 127.75 33.68 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.092 -0.504 . . . . 29.32 110.777 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 52.35 16.63 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 115.684 1.034 . . . . 24.44 115.684 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.91 139.5 44.99 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 117.538 0.669 . . . . 26.02 110.308 178.231 -62.235 -38.546 -83.634 104.981 2.034 105.101 -55.038 -74.171 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -79.23 78.97 5.68 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 122.53 1.157 . . . . 31.87 108.715 -177.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.929 -1.032 . . . . 41.44 109.942 179.504 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.687 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.457 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.562 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.549 ' O ' ' NE2' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . 0.535 ' O ' ' NH2' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . 0.53 ' O ' ' NE ' ' A' ' 112' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.515 ' O ' ' NH2' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . 0.426 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 0 . 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 0 . 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 0 . 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 build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 78.9 tttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.91 0.386 . . . . 13.78 111.55 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.48 104.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 106.218 -1.771 . . . . 7.7 106.218 175.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.57 154.68 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.885 0.85 . . . . 22.62 111.587 -174.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.43 156.39 37.1 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.954 -1.021 . . . . 18.64 111.296 164.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -55.48 -61.81 2.1 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.654 -0.418 . . . . 23.71 111.409 -175.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -72.77 -16.8 61.63 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.232 -0.587 . . . . 34.98 112.553 -179.918 -74.171 -55.038 -83.634 105.101 2.034 104.981 -38.546 -62.235 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -74.27 -39.57 62.89 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.715 -0.794 . . . . 19.19 111.082 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 tp -71.84 -37.8 70.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.329 -0.549 . . . . 9.55 111.394 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.22 75.31 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.326 -0.55 . . . . 10.35 111.546 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.06 80.49 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.496 -0.482 . . . . 5.94 111.267 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.87 71.77 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.28 -0.568 . . . . 6.35 111.833 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -71.2 -35.44 71.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.737 -0.785 . . . . 8.82 111.387 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.47 -38.88 88.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.23 -0.988 . . . . 32.8 110.978 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -66.1 -30.15 70.6 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.697 -0.401 . . . . 20.97 111.839 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.525 ' HB3' HG11 ' A' ' 92' ' ' VAL . 49.3 m80 -89.74 7.27 37.69 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.219 0.822 . . . . 18.11 113.219 -178.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.84 27.93 25.14 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 116.045 1.178 . . . . 13.0 116.045 172.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.25 -24.75 19.77 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 118.312 1.056 . . . . 9.39 113.337 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -62.59 120.09 10.48 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 118.529 0.604 . . . . 22.27 110.268 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 60.58 29.19 18.83 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.405 0.682 . . . . 27.41 111.924 -177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -75.81 118.64 18.82 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.906 -0.776 . . . . 13.85 108.906 172.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 60.36 30.93 20.21 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.283 0.633 . . . . 29.54 111.666 -173.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.43 80.16 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 115.622 1.009 . . . . 7.87 115.622 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 72.3 m-85 -107.9 115.53 30.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.504 1.152 . . . . 6.55 108.976 -177.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.26 169.04 3.84 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.141 0.972 . . . . 6.68 111.087 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.44 -38.06 86.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.064 -0.971 . . . . 11.83 111.484 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -22.57 65.24 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 120.613 -0.804 . . . . 7.72 113.907 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' ND2' HG21 ' A' ' 120' ' ' VAL . 44.9 m-80 -71.2 -46.65 60.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.755 0.777 . . . . 8.49 111.052 176.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.7 -41.3 96.11 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.672 -0.411 . . . . 7.82 111.162 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.99 -37.97 81.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.623 -0.431 . . . . 5.1 110.395 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.91 -42.29 98.91 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.751 -0.78 . . . . 10.42 111.135 176.638 -173.926 -89.356 -93.179 104.12 2.031 103.397 -80.632 -59.435 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.33 75.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.466 -0.494 . . . . 6.55 111.996 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.38 82.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.613 -0.435 . . . . 7.98 111.198 177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.687 ' O ' ' O ' ' A' ' 201' ' ' HOH . 17.5 tptm -60.02 -37.96 81.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.662 -0.415 . . . . 14.34 111.605 -177.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 201' ' ' HOH . 16.0 m-85 -96.73 0.25 49.28 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.492 0.923 . . . . 13.56 113.492 -174.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -105.31 -42.32 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.949 0.722 . . . . 8.76 112.949 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -130.5 -1.3 4.39 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 114.173 1.175 . . . . 4.51 114.173 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.5 t30 55.6 39.81 30.99 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.918 0.781 . . . . 6.83 111.19 -174.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 68.29 13.85 9.1 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.752 1.621 . . . . 11.6 113.54 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.63 124.77 43.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.708 0.685 . . . . 7.46 109.433 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -73.56 -22.57 60.04 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.037 0.754 . . . . 7.31 113.037 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' HA ' HD22 ' A' ' 84' ' ' LEU . 32.6 mt-30 -96.93 16.13 20.3 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.776 0.717 . . . . 5.41 112.868 -175.182 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.85 137.51 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.227 0.537 . . . . 5.35 111.093 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.8 p -141.31 140.95 33.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.908 -0.775 . . . . 13.11 108.908 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.58 129.54 20.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.786 -0.45 . . . . 18.81 109.786 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NH2' ' O ' ' A' ' 211' ' ' HOH . 10.9 tpt180 -76.51 140.53 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 22.61 110.698 176.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -101.24 166.1 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.776 0.798 . . . . 25.87 110.282 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -71.14 -26.83 63.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.436 -0.802 . . . . 15.24 112.028 -175.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -86.09 2.37 46.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.114 0.783 . . . . 13.34 113.114 -176.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.55 -8.75 52.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 118.964 -0.909 . . . . 12.9 115.039 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -86.92 -179.6 6.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 118.437 1.118 . . . . 8.53 109.735 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 202' ' ' HOH . 63.2 m -145.99 138.15 25.29 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.422 -0.585 . . . . 10.51 109.422 -176.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -90.72 139.94 30.25 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.372 -0.603 . . . . 9.37 109.372 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 97.6 m-85 -131.61 139.99 49.29 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.273 -0.422 . . . . 8.11 111.254 -175.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.79 -172.08 26.8 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-O 123.023 1.346 . . . . 7.61 113.918 161.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG23 ' HG ' ' A' ' 56' ' ' LEU . 2.1 tt -66.8 -24.32 32.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 113.661 -1.27 . . . . 10.13 111.8 -174.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HG ' HG23 ' A' ' 55' ' ' ILE . 31.9 mt -119.9 12.18 11.99 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.619 0.599 . . . . 17.86 112.619 176.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 58.48 70.39 0.66 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.369 1.08 . . . . 5.07 111.391 168.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -88.69 133.15 31.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 114.296 -1.32 . . . . 10.19 109.201 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -83.96 140.05 32.17 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.129 -0.487 . . . . 14.51 111.365 -169.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.2 p -81.03 -11.66 59.49 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.269 0.84 . . . . 9.37 113.269 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -64.93 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.43 0.559 . . . . 22.97 111.682 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -123.29 -35.78 2.91 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.36 1.244 . . . . 30.25 114.36 -171.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CE2' HG12 ' A' ' 98' ' ' ILE . 72.2 m95 -103.08 -56.53 2.21 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.881 1.067 . . . . 21.97 113.881 -162.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.15 174.25 5.97 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.993 0.901 . . . . 9.1 110.77 -178.28 63.303 85.539 97.263 104.126 2.038 103.946 -60.115 -62.691 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -115.59 128.35 55.89 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.123 -0.944 . . . . 16.6 110.498 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -122.07 3.7 9.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.225 0.824 . . . . 10.4 113.225 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 7.46 49.9 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.6 1.0 . . . . 7.91 115.6 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -136.86 13.46 3.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 118.216 1.008 . . . . 12.98 111.434 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -109.92 97.61 30.06 Favored Pre-proline 0 C--O 1.24 0.574 0 N-CA-C 108.522 -0.918 . . . . 14.17 108.522 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -67.1 149.29 82.21 Favored 'Trans proline' 0 C--N 1.331 -0.346 0 CA-C-N 119.15 0.732 . . . . 16.19 111.621 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.88 25.73 70.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.27 -0.877 . . . . 21.29 114.78 -178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.4 p -94.44 165.97 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.096 0.95 . . . . 18.87 111.006 -174.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -114.1 159.65 19.79 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.858 -1.064 . . . . 29.16 109.338 171.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -125.74 71.98 1.26 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.623 -1.251 . . . . 15.54 107.623 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.0 -38.77 69.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.899 -0.592 . . . . 27.32 111.576 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.5 m -79.42 -5.24 54.24 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.562 -0.855 . . . . 13.83 112.775 178.998 -75.123 177.41 89.772 104.512 2.031 104.823 51.224 -174.012 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 m120 56.48 47.72 18.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.541 0.737 . . . . 35.35 112.13 173.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 pt -144.69 154.79 56.28 Favored Pre-proline 0 C--O 1.237 0.423 0 N-CA-C 109.405 -0.591 . . . . 10.52 109.405 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.14 137.82 35.21 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 N-CA-C 109.663 -0.937 . . . . 12.4 109.663 165.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 71.6 m -58.87 -24.59 62.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.859 -0.61 . . . . 6.98 111.989 -179.787 -62.691 -60.115 97.263 103.946 2.038 104.126 85.539 63.303 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.0 p -66.64 -26.1 66.9 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.576 -0.45 . . . . 8.79 111.443 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -21.66 66.65 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.175 0.435 . . . . 9.19 112.175 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.8 mt -78.63 0.42 26.53 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.902 0.705 . . . . 10.44 112.902 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 41' ' ' GLN . 98.0 mt -108.9 16.77 22.43 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.559 0.618 . . . . 10.76 112.377 -178.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 t -84.61 158.23 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.819 0.819 . . . . 11.72 111.179 -175.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.54 -11.04 40.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.345 -0.843 . . . . 11.89 112.697 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -103.86 120.38 40.89 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.192 -1.04 . . . . 15.86 108.192 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.8 pt -86.48 13.58 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 120.555 0.216 . . . . 9.2 110.794 -172.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.5 m -62.26 -44.79 95.75 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.502 -0.479 . . . . 7.85 111.356 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.06 87.62 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.124 -0.63 . . . . 6.89 111.399 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 m -70.51 -31.39 68.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.398 -0.521 . . . . 8.71 111.966 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 15' ' ' HIS . 4.9 t -71.74 -46.04 63.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.227 -0.589 . . . . 8.77 110.481 -179.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.77 -37.79 88.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.333 -0.547 . . . . 14.2 111.367 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.42 -35.16 75.45 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.809 -0.756 . . . . 9.35 111.643 179.259 -174.012 51.224 89.772 104.823 2.031 104.512 177.41 -75.123 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.73 66.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.519 -0.472 . . . . 7.63 111.836 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.68 -38.73 78.86 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.254 -0.578 . . . . 12.1 111.094 174.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -73.46 -25.02 60.3 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.501 -0.48 . . . . 14.49 112.274 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.542 HG12 ' CE2' ' A' ' 63' ' ' TRP . 77.9 mt -75.59 -50.48 23.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.099 0.476 . . . . 9.59 110.747 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.8 -18.52 23.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 O-C-N 121.891 -0.506 . . . . 11.26 111.842 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 m -89.89 11.23 20.95 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.871 0.693 . . . . 10.03 112.871 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.03 18.37 12.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.927 0.714 . . . . 16.1 112.927 -170.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.44 -55.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.883 -0.675 . . . . 21.73 114.523 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -84.26 2.96 37.6 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.428 0.899 . . . . 34.24 113.428 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.32 -146.44 50.33 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.856 -1.164 . . . . 6.78 111.832 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . 0.42 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 3.2 mmm -68.98 -8.98 49.84 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 113.105 0.78 . . . . 5.79 113.105 -178.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.69 -14.11 40.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.455 0.57 . . . . 11.48 112.192 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.82 -11.41 46.04 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.865 0.691 . . . . 6.7 112.865 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -108.54 103.46 12.58 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.298 -1.371 . . . . 6.71 107.298 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . 0.459 HG23 HH21 ' A' ' 112' ' ' ARG . 12.4 p -61.67 -28.13 43.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.696 -0.402 . . . . 15.85 111.21 -174.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.52 76.22 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.003 -0.679 . . . . 6.66 111.293 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -65.19 -45.8 83.33 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.197 -0.601 . . . . 16.9 110.946 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . 0.459 HH21 HG23 ' A' ' 109' ' ' VAL . 60.6 ttp85 -64.02 -31.13 72.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.353 -0.539 . . . . 22.43 111.794 -177.808 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.0 -21.14 18.19 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.811 1.041 . . . . 12.46 113.811 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 221' ' ' HOH . 53.6 mtp180 -127.07 -9.9 5.94 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.703 1.371 . . . . 7.63 114.703 -174.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.68 -41.36 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.199 0.909 . . . . 7.71 113.303 -179.975 -59.435 -80.632 -93.179 103.397 2.031 104.12 -89.356 -173.926 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.78 128.1 35.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.888 0.375 . . . . 7.48 110.98 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.65 -3.66 86.14 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 115.281 0.872 . . . . 10.52 115.281 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.4 p -100.3 175.6 5.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.491 1.146 . . . . 10.0 110.423 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -77.81 84.94 4.11 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.335 1.064 . . . . 21.43 108.328 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . 0.4 HG21 ' ND2' ' A' ' 27' ' ' ASN . 30.7 m -71.61 -24.32 23.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.199 -0.91 . . . . 18.88 111.101 -177.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -26.96 68.3 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.89 -0.507 . . . . 26.0 111.802 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.25 -3.74 4.36 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.163 0.801 . . . . 19.2 113.163 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -87.21 -24.13 24.53 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.073 0.851 . . . . 16.28 112.668 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.4 pt -96.15 38.6 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.47 -0.937 . . . . 22.24 108.47 172.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.25 127.75 33.68 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.092 -0.504 . . . . 29.32 110.777 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 52.35 16.63 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 115.684 1.034 . . . . 24.44 115.684 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.91 139.5 44.99 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 117.538 0.669 . . . . 26.02 110.308 178.231 -62.235 -38.546 -83.634 104.981 2.034 105.101 -55.038 -74.171 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -79.23 78.97 5.68 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 122.53 1.157 . . . . 31.87 108.715 -177.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.929 -1.032 . . . . 41.44 109.942 179.504 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.687 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.457 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 . . . . . 0.515 ' O ' ' NH2' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . 0.416 ' O ' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 78.9 tttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.91 0.386 . . . . 13.78 111.55 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -97.48 104.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 106.218 -1.771 . . . . 7.7 106.218 175.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.57 154.68 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.885 0.85 . . . . 22.62 111.587 -174.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.43 156.39 37.1 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.954 -1.021 . . . . 18.64 111.296 164.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -55.48 -61.81 2.1 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.654 -0.418 . . . . 23.71 111.409 -175.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -72.77 -16.8 61.63 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.232 -0.587 . . . . 34.98 112.553 -179.918 -74.171 -55.038 -83.634 105.101 2.034 104.981 -38.546 -62.235 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -74.27 -39.57 62.89 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.715 -0.794 . . . . 19.19 111.082 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 tp -71.84 -37.8 70.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.329 -0.549 . . . . 9.55 111.394 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.22 75.31 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.326 -0.55 . . . . 10.35 111.546 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.06 80.49 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.496 -0.482 . . . . 5.94 111.267 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.87 71.77 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.28 -0.568 . . . . 6.35 111.833 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -71.2 -35.44 71.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.737 -0.785 . . . . 8.82 111.387 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.47 -38.88 88.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.23 -0.988 . . . . 32.8 110.978 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -66.1 -30.15 70.6 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.697 -0.401 . . . . 20.97 111.839 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.525 ' HB3' HG11 ' A' ' 92' ' ' VAL . 49.3 m80 -89.74 7.27 37.69 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.219 0.822 . . . . 18.11 113.219 -178.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.84 27.93 25.14 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 116.045 1.178 . . . . 13.0 116.045 172.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.25 -24.75 19.77 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 118.312 1.056 . . . . 9.39 113.337 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -62.59 120.09 10.48 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 118.529 0.604 . . . . 22.27 110.268 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 60.58 29.19 18.83 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.405 0.682 . . . . 27.41 111.924 -177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -75.81 118.64 18.82 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.906 -0.776 . . . . 13.85 108.906 172.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 60.36 30.93 20.21 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.283 0.633 . . . . 29.54 111.666 -173.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.43 80.16 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 115.622 1.009 . . . . 7.87 115.622 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 72.3 m-85 -107.9 115.53 30.3 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.504 1.152 . . . . 6.55 108.976 -177.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -63.26 169.04 3.84 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.141 0.972 . . . . 6.68 111.087 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.44 -38.06 86.54 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.064 -0.971 . . . . 11.83 111.484 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -22.57 65.24 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 120.613 -0.804 . . . . 7.72 113.907 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' ND2' HG21 ' A' ' 120' ' ' VAL . 44.9 m-80 -71.2 -46.65 60.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.755 0.777 . . . . 8.49 111.052 176.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.7 -41.3 96.11 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.672 -0.411 . . . . 7.82 111.162 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.99 -37.97 81.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.623 -0.431 . . . . 5.1 110.395 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.91 -42.29 98.91 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.751 -0.78 . . . . 10.42 111.135 176.638 -173.926 -89.356 -93.179 104.12 2.031 103.397 -80.632 -59.435 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.33 75.16 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.466 -0.494 . . . . 6.55 111.996 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.38 82.1 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.613 -0.435 . . . . 7.98 111.198 177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.687 ' O ' ' O ' ' A' ' 201' ' ' HOH . 17.5 tptm -60.02 -37.96 81.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.662 -0.415 . . . . 14.34 111.605 -177.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 201' ' ' HOH . 16.0 m-85 -96.73 0.25 49.28 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.492 0.923 . . . . 13.56 113.492 -174.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -105.31 -42.32 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.949 0.722 . . . . 8.76 112.949 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -130.5 -1.3 4.39 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 114.173 1.175 . . . . 4.51 114.173 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.5 t30 55.6 39.81 30.99 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.918 0.781 . . . . 6.83 111.19 -174.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 68.29 13.85 9.1 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.752 1.621 . . . . 11.6 113.54 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.63 124.77 43.63 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.708 0.685 . . . . 7.46 109.433 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -73.56 -22.57 60.04 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.037 0.754 . . . . 7.31 113.037 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' HA ' HD22 ' A' ' 84' ' ' LEU . 32.6 mt-30 -96.93 16.13 20.3 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.776 0.717 . . . . 5.41 112.868 -175.182 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.85 137.51 47.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.227 0.537 . . . . 5.35 111.093 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.8 p -141.31 140.95 33.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.908 -0.775 . . . . 13.11 108.908 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.58 129.54 20.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.786 -0.45 . . . . 18.81 109.786 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NH2' ' O ' ' A' ' 211' ' ' HOH . 10.9 tpt180 -76.51 140.53 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.651 -0.704 . . . . 22.61 110.698 176.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -101.24 166.1 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.776 0.798 . . . . 25.87 110.282 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -71.14 -26.83 63.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.436 -0.802 . . . . 15.24 112.028 -175.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -86.09 2.37 46.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.114 0.783 . . . . 13.34 113.114 -176.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.55 -8.75 52.12 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 118.964 -0.909 . . . . 12.9 115.039 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 p -86.92 -179.6 6.54 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 118.437 1.118 . . . . 8.53 109.735 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 202' ' ' HOH . 63.2 m -145.99 138.15 25.29 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.422 -0.585 . . . . 10.51 109.422 -176.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -90.72 139.94 30.25 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.372 -0.603 . . . . 9.37 109.372 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 97.6 m-85 -131.61 139.99 49.29 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.273 -0.422 . . . . 8.11 111.254 -175.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.79 -172.08 26.8 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-O 123.023 1.346 . . . . 7.61 113.918 161.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG23 ' HG ' ' A' ' 56' ' ' LEU . 2.1 tt -66.8 -24.32 32.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 113.661 -1.27 . . . . 10.13 111.8 -174.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HG ' HG23 ' A' ' 55' ' ' ILE . 31.9 mt -119.9 12.18 11.99 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.619 0.599 . . . . 17.86 112.619 176.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 58.48 70.39 0.66 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.369 1.08 . . . . 5.07 111.391 168.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -88.69 133.15 31.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 114.296 -1.32 . . . . 10.19 109.201 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -83.96 140.05 32.17 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.129 -0.487 . . . . 14.51 111.365 -169.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.2 p -81.03 -11.66 59.49 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.269 0.84 . . . . 9.37 113.269 -177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -64.93 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.43 0.559 . . . . 22.97 111.682 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -123.29 -35.78 2.91 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 114.36 1.244 . . . . 30.25 114.36 -171.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CE2' HG12 ' A' ' 98' ' ' ILE . 72.2 m95 -103.08 -56.53 2.21 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.881 1.067 . . . . 21.97 113.881 -162.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.15 174.25 5.97 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.993 0.901 . . . . 9.1 110.77 -178.28 63.303 85.539 97.263 104.126 2.038 103.946 -60.115 -62.691 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -115.59 128.35 55.89 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.123 -0.944 . . . . 16.6 110.498 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -122.07 3.7 9.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.225 0.824 . . . . 10.4 113.225 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 7.46 49.9 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 115.6 1.0 . . . . 7.91 115.6 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -136.86 13.46 3.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 118.216 1.008 . . . . 12.98 111.434 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -109.92 97.61 30.06 Favored Pre-proline 0 C--O 1.24 0.574 0 N-CA-C 108.522 -0.918 . . . . 14.17 108.522 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -67.1 149.29 82.21 Favored 'Trans proline' 0 C--N 1.331 -0.346 0 CA-C-N 119.15 0.732 . . . . 16.19 111.621 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.88 25.73 70.83 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.27 -0.877 . . . . 21.29 114.78 -178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.4 p -94.44 165.97 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.096 0.95 . . . . 18.87 111.006 -174.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -114.1 159.65 19.79 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.858 -1.064 . . . . 29.16 109.338 171.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -125.74 71.98 1.26 Allowed 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.623 -1.251 . . . . 15.54 107.623 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.0 -38.77 69.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.899 -0.592 . . . . 27.32 111.576 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.5 m -79.42 -5.24 54.24 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.562 -0.855 . . . . 13.83 112.775 178.998 -75.123 177.41 89.772 104.512 2.031 104.823 51.224 -174.012 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 m120 56.48 47.72 18.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.541 0.737 . . . . 35.35 112.13 173.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 pt -144.69 154.79 56.28 Favored Pre-proline 0 C--O 1.237 0.423 0 N-CA-C 109.405 -0.591 . . . . 10.52 109.405 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.14 137.82 35.21 Favored 'Trans proline' 0 C--N 1.332 -0.294 0 N-CA-C 109.663 -0.937 . . . . 12.4 109.663 165.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 71.6 m -58.87 -24.59 62.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.859 -0.61 . . . . 6.98 111.989 -179.787 -62.691 -60.115 97.263 103.946 2.038 104.126 85.539 63.303 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.0 p -66.64 -26.1 66.9 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.576 -0.45 . . . . 8.79 111.443 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -21.66 66.65 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.175 0.435 . . . . 9.19 112.175 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.8 mt -78.63 0.42 26.53 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.902 0.705 . . . . 10.44 112.902 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 41' ' ' GLN . 98.0 mt -108.9 16.77 22.43 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.559 0.618 . . . . 10.76 112.377 -178.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 t -84.61 158.23 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.819 0.819 . . . . 11.72 111.179 -175.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.54 -11.04 40.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.345 -0.843 . . . . 11.89 112.697 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -103.86 120.38 40.89 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.192 -1.04 . . . . 15.86 108.192 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.8 pt -86.48 13.58 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 120.555 0.216 . . . . 9.2 110.794 -172.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.5 m -62.26 -44.79 95.75 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.502 -0.479 . . . . 7.85 111.356 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.06 87.62 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.124 -0.63 . . . . 6.89 111.399 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 m -70.51 -31.39 68.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.398 -0.521 . . . . 8.71 111.966 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 15' ' ' HIS . 4.9 t -71.74 -46.04 63.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.227 -0.589 . . . . 8.77 110.481 -179.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.77 -37.79 88.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.333 -0.547 . . . . 14.2 111.367 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.42 -35.16 75.45 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.809 -0.756 . . . . 9.35 111.643 179.259 -174.012 51.224 89.772 104.823 2.031 104.512 177.41 -75.123 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.73 66.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.519 -0.472 . . . . 7.63 111.836 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.68 -38.73 78.86 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.254 -0.578 . . . . 12.1 111.094 174.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -73.46 -25.02 60.3 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.501 -0.48 . . . . 14.49 112.274 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.542 HG12 ' CE2' ' A' ' 63' ' ' TRP . 77.9 mt -75.59 -50.48 23.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.099 0.476 . . . . 9.59 110.747 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.8 -18.52 23.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 O-C-N 121.891 -0.506 . . . . 11.26 111.842 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 m -89.89 11.23 20.95 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.871 0.693 . . . . 10.03 112.871 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.03 18.37 12.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.927 0.714 . . . . 16.1 112.927 -170.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.44 -55.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.883 -0.675 . . . . 21.73 114.523 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -84.26 2.96 37.6 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.428 0.899 . . . . 34.24 113.428 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.32 -146.44 50.33 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.856 -1.164 . . . . 6.78 111.832 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . 0.42 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 3.2 mmm -68.98 -8.98 49.84 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 113.105 0.78 . . . . 5.79 113.105 -178.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.69 -14.11 40.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.455 0.57 . . . . 11.48 112.192 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.82 -11.41 46.04 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.865 0.691 . . . . 6.7 112.865 176.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -108.54 103.46 12.58 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.298 -1.371 . . . . 6.71 107.298 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.459 HG23 HH21 ' A' ' 112' ' ' ARG . 12.4 p -61.67 -28.13 43.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.696 -0.402 . . . . 15.85 111.21 -174.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.83 -37.52 76.22 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.003 -0.679 . . . . 6.66 111.293 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -65.19 -45.8 83.33 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.197 -0.601 . . . . 16.9 110.946 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.459 HH21 HG23 ' A' ' 109' ' ' VAL . 60.6 ttp85 -64.02 -31.13 72.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.353 -0.539 . . . . 22.43 111.794 -177.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.0 -21.14 18.19 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.811 1.041 . . . . 12.46 113.811 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 221' ' ' HOH . 53.6 mtp180 -127.07 -9.9 5.94 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.703 1.371 . . . . 7.63 114.703 -174.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 85.4 m -122.68 -41.36 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.199 0.909 . . . . 7.71 113.303 -179.975 -59.435 -80.632 -93.179 103.397 2.031 104.12 -89.356 -173.926 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.78 128.1 35.38 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.888 0.375 . . . . 7.48 110.98 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.65 -3.66 86.14 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 115.281 0.872 . . . . 10.52 115.281 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.4 p -100.3 175.6 5.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.491 1.146 . . . . 10.0 110.423 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -77.81 84.94 4.11 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.335 1.064 . . . . 21.43 108.328 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.4 HG21 ' ND2' ' A' ' 27' ' ' ASN . 30.7 m -71.61 -24.32 23.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.199 -0.91 . . . . 18.88 111.101 -177.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 205' ' ' HOH . 1.6 tm0? -61.59 -26.96 68.3 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.89 -0.507 . . . . 26.0 111.802 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.25 -3.74 4.36 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.163 0.801 . . . . 19.2 113.163 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -87.21 -24.13 24.53 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.073 0.851 . . . . 16.28 112.668 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.4 pt -96.15 38.6 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 108.47 -0.937 . . . . 22.24 108.47 172.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.25 127.75 33.68 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.092 -0.504 . . . . 29.32 110.777 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 52.35 16.63 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 115.684 1.034 . . . . 24.44 115.684 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.91 139.5 44.99 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 117.538 0.669 . . . . 26.02 110.308 178.231 -62.235 -38.546 -83.634 104.981 2.034 105.101 -55.038 -74.171 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -79.23 78.97 5.68 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 122.53 1.157 . . . . 31.87 108.715 -177.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.929 -1.032 . . . . 41.44 109.942 179.504 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.687 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.457 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.549 ' O ' ' NE2' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.515 ' O ' ' NH2' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . 0.416 ' O ' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 stop_ save_