data_3gk4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3gk4 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' X' X ' 0' ' ' MET . . . . . 0.482 ' CE ' ' CG2' ' X' ' 8' ' ' VAL . 5.7 ttt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.126 -0.694 . . . . 53.18 109.126 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 60.2 p -71.05 168.3 17.39 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.094 0.958 . . . . 48.04 110.334 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -53.54 -41.28 66.25 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 115.673 1.731 . . . . 55.27 115.673 171.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -43.73 92.59 Favored 'General case' 0 C--O 1.252 1.223 0 CA-C-O 121.581 0.705 . . . . 47.57 109.636 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -63.36 -42.18 98.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.028 -1.069 . . . . 48.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -55.73 -39.11 70.66 Favored 'General case' 0 C--O 1.255 1.352 0 C-N-CA 120.143 -0.623 . . . . 49.6 111.954 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -44.34 76.66 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.727 -1.212 . . . . 44.59 107.727 -175.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.89 -50.1 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 112.057 0.392 . . . . 44.51 112.057 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 8' ' ' VAL . . . . . 0.482 ' CG2' ' CE ' ' X' ' 0' ' ' MET . 48.8 t -60.96 -42.39 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.306 1.224 . . . . 44.96 114.306 177.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.05 92.88 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.472 0.482 . . . . 44.53 111.013 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.3 -49.94 75.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.878 -0.329 . . . . 46.49 111.385 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.8 -43.08 90.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.097 -0.501 . . . . 44.66 111.168 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -49.15 64.41 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.702 -0.481 . . . . 49.87 109.702 -172.697 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.75 -42.73 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 118.794 -1.163 . . . . 46.52 109.99 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.42 -39.33 87.04 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.423 -0.911 . . . . 45.42 110.944 -176.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -75.43 -36.6 60.74 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 115.811 -0.631 . . . . 53.19 112.523 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -53.78 -49.21 68.78 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.131 -1.063 . . . . 58.83 108.131 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 17' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -80.69 -39.5 27.04 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.514 -0.874 . . . . 46.92 112.461 -173.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -70.52 -31.48 68.56 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 113.071 0.767 . . . . 44.73 113.071 -173.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.94 3.36 70.76 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.168 -0.924 . . . . 44.31 114.85 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 20' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -62.85 -53.98 45.86 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.409 1.105 . . . . 47.34 112.827 174.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -142.3 158.42 43.73 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 112.581 0.586 . . . . 59.25 112.581 -167.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.32 -136.62 16.41 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.501 -1.04 . . . . 46.41 110.501 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -58.86 123.6 17.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.526 -0.916 . . . . 51.65 108.526 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -93.12 6.17 48.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 113.658 0.984 . . . . 54.62 113.658 -170.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 25' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -116.08 12.19 15.51 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.612 -0.722 . . . . 55.09 110.753 170.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 26' ' ' LYS . . . . . 0.672 ' NZ ' ' OD2' ' X' ' 65' ' ' ASP . 89.7 mttt -135.76 151.06 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.494 -0.928 . . . . 53.44 108.494 176.438 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 27' ' ' LEU . . . . . . . . . . . . . 46.9 mt -90.11 116.3 28.02 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 123.932 0.77 . . . . 46.94 110.389 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.39 173.77 11.99 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 108.435 -0.95 . . . . 57.61 108.435 169.083 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -55.94 -46.57 78.48 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.907 -1.117 . . . . 44.5 113.892 -176.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -61.47 -38.44 87.26 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.395 1.257 . . . . 46.65 114.395 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -67.68 -40.56 84.42 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.787 -0.57 . . . . 46.52 111.692 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.18 89.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.136 0.493 . . . . 48.81 109.682 179.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -54.74 -49.89 69.73 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 115.683 -0.69 . . . . 52.29 111.966 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.68 -37.04 85.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.375 -0.375 . . . . 53.48 110.474 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.79 -49.9 75.61 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 107.815 -1.18 . . . . 48.66 107.815 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 36' ' ' ILE . . . . . . . . . . . . . 47.2 mt -62.97 -45.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-O 121.242 0.544 . . . . 46.6 111.919 -179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.81 -43.38 98.94 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.934 1.457 . . . . 46.9 114.934 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 38' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -86.5 -33.72 20.25 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.87 1.063 . . . . 45.75 113.87 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -113.5 -15.74 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 114.329 1.233 . . . . 48.45 114.329 -167.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.92 27.52 8.83 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.344 1.609 . . . . 45.62 115.344 177.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 41' ' ' SER . . . . . 0.715 ' O ' ' O ' ' X' ' 132' ' ' HOH . 35.1 p -67.39 -16.65 64.36 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 114.034 1.124 . . . . 44.67 114.034 -171.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 42' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -95.0 -9.9 32.54 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.303 0.483 . . . . 48.75 112.303 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 43' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -112.6 -34.74 5.74 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.097 0.776 . . . . 47.07 113.097 -176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 98.2 mt -126.29 147.59 49.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.797 0.686 . . . . 47.61 111.083 -174.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.93 136.46 58.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.926 -0.768 . . . . 60.77 108.926 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -54.28 134.85 45.09 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.389 -0.967 . . . . 46.21 108.389 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 47' ' ' ILE . . . . . . . . . . . . . 79.4 mt -89.61 119.87 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.122 -1.066 . . . . 44.55 108.122 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -121.62 8.65 10.09 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.052 0.76 . . . . 50.06 113.052 -174.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -144.16 140.63 29.47 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 120.747 -0.381 . . . . 56.49 111.574 -169.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 50' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.36 -38.75 77.89 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.952 -0.699 . . . . 47.4 112.786 179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.71 -27.95 68.04 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 118.46 -1.296 . . . . 51.74 113.288 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 52' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.7 -43.37 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 117.555 0.161 . . . . 45.84 111.407 174.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.13 -52.82 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 108.493 -0.929 . . . . 51.07 108.493 172.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -55.88 -49.38 73.54 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.54 -0.755 . . . . 45.26 112.193 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -64.55 -42.34 95.75 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.584 0.587 . . . . 50.26 112.584 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 56' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.05 -50.29 80.65 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 CA-C-N 116.263 -0.426 . . . . 47.22 110.179 178.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 57' ' ' MET . . . . . . . . . . . . . 60.3 tpp -56.41 -45.83 80.49 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.695 -0.802 . . . . 46.19 111.281 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 -43.29 62.45 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.237 1.018 . . . . 52.18 111.658 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -66.23 -44.9 82.48 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.555 -1.202 . . . . 50.26 113.015 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -81.62 -20.19 40.23 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.833 1.049 . . . . 45.98 113.833 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 61' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -85.48 74.07 10.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.185 0.994 . . . . 46.55 111.164 -170.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -62.99 -34.72 78.14 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.192 1.182 . . . . 45.51 114.192 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 63' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -90.77 0.84 57.32 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 117.713 -1.595 . . . . 49.4 111.259 -178.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.78 26.2 70.99 Favored Glycine 0 N--CA 1.472 1.098 0 N-CA-C 117.963 1.945 . . . . 45.94 117.963 173.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 65' ' ' ASP . . . . . 0.672 ' OD2' ' NZ ' ' X' ' 26' ' ' LYS . 34.7 p-10 -93.04 4.34 54.17 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.456 0.91 . . . . 47.18 113.456 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.6 -10.49 70.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 119.99 -1.1 . . . . 45.78 115.761 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.3 170.54 15.31 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 117.704 0.752 . . . . 48.82 109.538 -174.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 68' ' ' CYS . . . . . . . . . . . . . 48.5 t -109.32 108.87 19.6 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.975 -1.12 . . . . 45.71 107.975 -177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -83.87 -175.77 5.96 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 120.334 -0.546 . . . . 46.21 111.564 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.56 -43.31 94.31 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.393 -0.923 . . . . 48.65 112.91 -173.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -62.63 -39.02 92.5 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 112.734 0.642 . . . . 55.12 112.734 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 72' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -69.16 -37.18 78.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.887 0.375 . . . . 47.16 110.144 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 73' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -59.02 -46.99 86.81 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 120.95 -0.3 . . . . 46.14 111.427 172.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 74' ' ' MET . . . . . . . . . . . . . 58.5 mmm -57.06 -40.78 77.51 Favored 'General case' 0 C--O 1.258 1.552 0 N-CA-C 112.223 0.453 . . . . 55.82 112.223 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.93 92.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 121.087 -0.245 . . . . 45.37 111.114 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.05 -49.72 76.53 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-O 121.176 0.512 . . . . 47.06 110.756 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.02 -43.42 69.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 121.933 -0.479 . . . . 44.73 110.833 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.97 99.0 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 119.716 -0.794 . . . . 44.65 110.551 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtt -56.59 -48.71 76.8 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 122.034 0.921 . . . . 47.54 110.177 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 80' ' ' ILE . . . . . . . . . . . . . 54.3 mt -64.46 -45.59 95.31 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 115.32 -0.854 . . . . 47.35 109.402 -175.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 81' ' ' THR . . . . . . . . . . . . . 21.4 m -63.41 -41.38 98.72 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 114.813 -1.085 . . . . 45.66 111.458 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -67.2 -38.91 86.1 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.236 -0.438 . . . . 46.9 110.281 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.39 94.73 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 120.542 -0.463 . . . . 47.65 112.169 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 84' ' ' CYS . . . . . . . . . . . . . 39.8 t -66.76 -42.88 85.43 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.944 0.878 . . . . 49.69 110.723 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -52.98 -50.39 64.25 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.454 -1.248 . . . . 52.92 111.245 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 86' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.29 -31.35 65.65 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.651 0.611 . . . . 54.43 112.651 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -55.14 -50.2 69.86 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 122.185 -0.322 . . . . 46.2 111.863 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 88' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -100.93 -37.42 8.66 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.155 0.798 . . . . 51.2 113.155 -173.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 116.581 2.067 . . . . 59.54 116.581 -176.578 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 94' ' ' 53A . . . . . 0.534 ' N2 ' ' C9 ' ' X' ' 94' ' ' 53A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 132' ' ' HOH . . . . . 0.715 ' O ' ' O ' ' X' ' 41' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 0' ' ' MET . . . . . 0.713 ' HE3' HG21 ' X' ' 8' ' ' VAL . 5.7 ttt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.126 -0.694 . . . . 53.18 109.126 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 60.2 p -71.05 168.3 17.39 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.094 0.958 . . . . 48.039999999999999 110.334 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -53.54 -41.28 66.25 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 115.673 1.731 . . . . 55.270000000000003 115.673 171.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -43.73 92.59 Favored 'General case' 0 C--O 1.252 1.223 0 CA-C-O 121.581 0.705 . . . . 47.57 109.636 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -63.36 -42.18 98.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.028 -1.069 . . . . 48.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -55.73 -39.11 70.66 Favored 'General case' 0 C--O 1.255 1.352 0 C-N-CA 120.143 -0.623 . . . . 49.600000000000001 111.954 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -44.34 76.66 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.727 -1.212 . . . . 44.590000000000003 107.727 -175.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.89 -50.1 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 112.057 0.392 . . . . 44.509999999999998 112.057 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 8' ' ' VAL . . . . . 0.713 HG21 ' HE3' ' X' ' 0' ' ' MET . 48.8 t -60.96 -42.39 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.306 1.224 . . . . 44.960000000000001 114.306 177.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.05 92.88 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.472 0.482 . . . . 44.530000000000001 111.013 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.3 -49.94 75.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.878 -0.329 . . . . 46.490000000000002 111.385 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.8 -43.08 90.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.097 -0.501 . . . . 44.659999999999997 111.168 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -49.15 64.41 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.702 -0.481 . . . . 49.869999999999997 109.702 -172.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.75 -42.73 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 118.794 -1.163 . . . . 46.520000000000003 109.99 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.42 -39.33 87.04 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.423 -0.911 . . . . 45.420000000000002 110.944 -176.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -75.43 -36.6 60.74 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 115.811 -0.631 . . . . 53.189999999999998 112.523 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -53.78 -49.21 68.78 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.131 -1.063 . . . . 58.829999999999998 108.131 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 17' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -80.69 -39.5 27.04 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.514 -0.874 . . . . 46.920000000000002 112.461 -173.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -70.52 -31.48 68.56 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 113.071 0.767 . . . . 44.729999999999997 113.071 -173.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.94 3.36 70.76 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.168 -0.924 . . . . 44.310000000000002 114.85 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 20' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -62.85 -53.98 45.86 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.409 1.105 . . . . 47.340000000000003 112.827 174.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -142.3 158.42 43.73 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 112.581 0.586 . . . . 59.25 112.581 -167.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 22' ' ' GLY . . . . . 0.436 ' O ' ' HG2' ' X' ' 24' ' ' LYS . . . 48.32 -136.62 16.41 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.501 -1.04 . . . . 46.409999999999997 110.501 176.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -58.86 123.6 17.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.526 -0.916 . . . . 51.649999999999999 108.526 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 24' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' X' ' 22' ' ' GLY . 5.5 mtmt -93.12 6.17 48.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 113.658 0.984 . . . . 54.619999999999997 113.658 -170.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 25' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -116.08 12.19 15.51 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.612 -0.722 . . . . 55.090000000000003 110.753 170.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 26' ' ' LYS . . . . . 0.652 ' NZ ' ' OD2' ' X' ' 65' ' ' ASP . 89.7 mttt -135.76 151.06 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.494 -0.928 . . . . 53.439999999999998 108.494 176.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 27' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' X' ' 68' ' ' CYS . 46.9 mt -90.11 116.3 28.02 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 123.932 0.77 . . . . 46.939999999999998 110.389 172.808 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.39 173.77 11.99 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 108.435 -0.95 . . . . 57.609999999999999 108.435 169.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -55.94 -46.57 78.48 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.907 -1.117 . . . . 44.5 113.892 -176.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -61.47 -38.44 87.26 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.395 1.257 . . . . 46.649999999999999 114.395 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -67.68 -40.56 84.42 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.787 -0.57 . . . . 46.520000000000003 111.692 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.18 89.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.136 0.493 . . . . 48.810000000000002 109.682 179.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -54.74 -49.89 69.73 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 115.683 -0.69 . . . . 52.289999999999999 111.966 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.68 -37.04 85.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.375 -0.375 . . . . 53.479999999999997 110.474 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.79 -49.9 75.61 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 107.815 -1.18 . . . . 48.659999999999997 107.815 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 36' ' ' ILE . . . . . . . . . . . . . 47.2 mt -62.97 -45.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-O 121.242 0.544 . . . . 46.600000000000001 111.919 -179.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -62.81 -43.38 98.94 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.934 1.457 . . . . 46.899999999999999 114.934 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 38' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -86.5 -33.72 20.25 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.87 1.063 . . . . 45.75 113.87 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -113.5 -15.74 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 114.329 1.233 . . . . 48.450000000000003 114.329 -167.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.92 27.52 8.83 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.344 1.609 . . . . 45.619999999999997 115.344 177.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 41' ' ' SER . . . . . 0.715 ' O ' ' O ' ' X' ' 132' ' ' HOH . 35.1 p -67.39 -16.65 64.36 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 114.034 1.124 . . . . 44.670000000000002 114.034 -171.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 42' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -95.0 -9.9 32.54 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.303 0.483 . . . . 48.75 112.303 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 43' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -112.6 -34.74 5.74 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.097 0.776 . . . . 47.07 113.097 -176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 98.2 mt -126.29 147.59 49.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.797 0.686 . . . . 47.609999999999999 111.083 -174.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 45' ' ' GLU . . . . . 0.704 ' HG3' ' H18' ' X' ' 94' ' ' 53A . 31.7 tt0 -60.93 136.46 58.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.926 -0.768 . . . . 60.770000000000003 108.926 176.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -54.28 134.85 45.09 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.389 -0.967 . . . . 46.210000000000001 108.389 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 47' ' ' ILE . . . . . . . . . . . . . 79.4 mt -89.61 119.87 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.122 -1.066 . . . . 44.549999999999997 108.122 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -121.62 8.65 10.09 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.052 0.76 . . . . 50.060000000000002 113.052 -174.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -144.16 140.63 29.47 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 120.747 -0.381 . . . . 56.490000000000002 111.574 -169.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 50' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.36 -38.75 77.89 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.952 -0.699 . . . . 47.399999999999999 112.786 179.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.71 -27.95 68.04 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 118.46 -1.296 . . . . 51.740000000000002 113.288 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 52' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.7 -43.37 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 117.555 0.161 . . . . 45.840000000000003 111.407 174.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.13 -52.82 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 108.493 -0.929 . . . . 51.07 108.493 172.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -55.88 -49.38 73.54 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.54 -0.755 . . . . 45.259999999999998 112.193 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -64.55 -42.34 95.75 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.584 0.587 . . . . 50.259999999999998 112.584 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 56' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.05 -50.29 80.65 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 CA-C-N 116.263 -0.426 . . . . 47.219999999999999 110.179 178.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 57' ' ' MET . . . . . . . . . . . . . 60.3 tpp -56.41 -45.83 80.49 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.695 -0.802 . . . . 46.189999999999998 111.281 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 -43.29 62.45 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.237 1.018 . . . . 52.18 111.658 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -66.23 -44.9 82.48 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.555 -1.202 . . . . 50.259999999999998 113.015 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -81.62 -20.19 40.23 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.833 1.049 . . . . 45.979999999999997 113.833 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 61' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -85.48 74.07 10.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.185 0.994 . . . . 46.549999999999997 111.164 -170.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -62.99 -34.72 78.14 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.192 1.182 . . . . 45.509999999999998 114.192 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 63' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -90.77 0.84 57.32 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 117.713 -1.595 . . . . 49.399999999999999 111.259 -178.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.78 26.2 70.99 Favored Glycine 0 N--CA 1.472 1.098 0 N-CA-C 117.963 1.945 . . . . 45.939999999999998 117.963 173.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 65' ' ' ASP . . . . . 0.652 ' OD2' ' NZ ' ' X' ' 26' ' ' LYS . 34.7 p-10 -93.04 4.34 54.17 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.456 0.91 . . . . 47.18 113.456 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.6 -10.49 70.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 119.99 -1.1 . . . . 45.780000000000001 115.761 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.3 170.54 15.31 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 117.704 0.752 . . . . 48.82 109.538 -174.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 68' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' X' ' 27' ' ' LEU . 48.5 t -109.32 108.87 19.6 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.975 -1.12 . . . . 45.710000000000001 107.975 -177.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -83.87 -175.77 5.96 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 120.334 -0.546 . . . . 46.210000000000001 111.564 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.56 -43.31 94.31 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.393 -0.923 . . . . 48.649999999999999 112.91 -173.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -62.63 -39.02 92.5 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 112.734 0.642 . . . . 55.119999999999997 112.734 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 72' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -69.16 -37.18 78.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.887 0.375 . . . . 47.159999999999997 110.144 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 73' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -59.02 -46.99 86.81 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 120.95 -0.3 . . . . 46.140000000000001 111.427 172.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 74' ' ' MET . . . . . . . . . . . . . 58.5 mmm -57.06 -40.78 77.51 Favored 'General case' 0 C--O 1.258 1.552 0 N-CA-C 112.223 0.453 . . . . 55.82 112.223 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.93 92.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 121.087 -0.245 . . . . 45.369999999999997 111.114 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.05 -49.72 76.53 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-O 121.176 0.512 . . . . 47.060000000000002 110.756 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.02 -43.42 69.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 121.933 -0.479 . . . . 44.729999999999997 110.833 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.97 99.0 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 119.716 -0.794 . . . . 44.649999999999999 110.551 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtt -56.59 -48.71 76.8 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 122.034 0.921 . . . . 47.539999999999999 110.177 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 80' ' ' ILE . . . . . . . . . . . . . 54.3 mt -64.46 -45.59 95.31 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 115.32 -0.854 . . . . 47.350000000000001 109.402 -175.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 81' ' ' THR . . . . . . . . . . . . . 21.4 m -63.41 -41.38 98.72 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 114.813 -1.085 . . . . 45.659999999999997 111.458 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -67.2 -38.91 86.1 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.236 -0.438 . . . . 46.899999999999999 110.281 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.39 94.73 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 120.542 -0.463 . . . . 47.649999999999999 112.169 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 84' ' ' CYS . . . . . . . . . . . . . 39.8 t -66.76 -42.88 85.43 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.944 0.878 . . . . 49.689999999999998 110.723 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -52.98 -50.39 64.25 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.454 -1.248 . . . . 52.920000000000002 111.245 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 86' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.29 -31.35 65.65 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.651 0.611 . . . . 54.43 112.651 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -55.14 -50.2 69.86 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 122.185 -0.322 . . . . 46.200000000000003 111.863 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 88' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -100.93 -37.42 8.66 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.155 0.798 . . . . 51.200000000000003 113.155 -173.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 116.581 2.067 . . . . 59.539999999999999 116.581 -176.578 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 94' ' ' 53A . . . . . 0.704 ' H18' ' HG3' ' X' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 132' ' ' HOH . . . . . 0.715 ' O ' ' O ' ' X' ' 41' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 0' ' ' MET . . . . . 0.713 ' HE3' HG21 ' X' ' 8' ' ' VAL . 5.7 ttt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.126 -0.694 . . . . 53.18 109.126 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 60.2 p -71.05 168.3 17.39 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.094 0.958 . . . . 48.039999999999999 110.334 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -53.54 -41.28 66.25 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 115.673 1.731 . . . . 55.270000000000003 115.673 171.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -43.73 92.59 Favored 'General case' 0 C--O 1.252 1.223 0 CA-C-O 121.581 0.705 . . . . 47.57 109.636 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -63.36 -42.18 98.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.028 -1.069 . . . . 48.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -55.73 -39.11 70.66 Favored 'General case' 0 C--O 1.255 1.352 0 C-N-CA 120.143 -0.623 . . . . 49.600000000000001 111.954 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -44.34 76.66 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.727 -1.212 . . . . 44.590000000000003 107.727 -175.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.89 -50.1 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 N-CA-C 112.057 0.392 . . . . 44.509999999999998 112.057 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 8' ' ' VAL . . . . . 0.713 HG21 ' HE3' ' X' ' 0' ' ' MET . 48.8 t -60.96 -42.39 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.306 1.224 . . . . 44.960000000000001 114.306 177.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.05 92.88 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.472 0.482 . . . . 44.530000000000001 111.013 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.3 -49.94 75.6 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 120.878 -0.329 . . . . 46.490000000000002 111.385 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.8 -43.08 90.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.097 -0.501 . . . . 44.659999999999997 111.168 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -49.15 64.41 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.702 -0.481 . . . . 49.869999999999997 109.702 -172.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.75 -42.73 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 118.794 -1.163 . . . . 46.520000000000003 109.99 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.42 -39.33 87.04 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.423 -0.911 . . . . 45.420000000000002 110.944 -176.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -75.43 -36.6 60.74 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 115.811 -0.631 . . . . 53.189999999999998 112.523 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -53.78 -49.21 68.78 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.131 -1.063 . . . . 58.829999999999998 108.131 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 17' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -80.69 -39.5 27.04 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 119.514 -0.874 . . . . 46.920000000000002 112.461 -173.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -70.52 -31.48 68.56 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 113.071 0.767 . . . . 44.729999999999997 113.071 -173.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.94 3.36 70.76 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.168 -0.924 . . . . 44.310000000000002 114.85 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 20' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -62.85 -53.98 45.86 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.409 1.105 . . . . 47.340000000000003 112.827 174.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -142.3 158.42 43.73 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 112.581 0.586 . . . . 59.25 112.581 -167.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 22' ' ' GLY . . . . . 0.436 ' O ' ' HG2' ' X' ' 24' ' ' LYS . . . 48.32 -136.62 16.41 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.501 -1.04 . . . . 46.409999999999997 110.501 176.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -58.86 123.6 17.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.526 -0.916 . . . . 51.649999999999999 108.526 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' X' ' 22' ' ' GLY . 5.5 mtmt -93.12 6.17 48.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 113.658 0.984 . . . . 54.619999999999997 113.658 -170.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 25' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -116.08 12.19 15.51 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.612 -0.722 . . . . 55.090000000000003 110.753 170.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 26' ' ' LYS . . . . . 0.652 ' NZ ' ' OD2' ' X' ' 65' ' ' ASP . 89.7 mttt -135.76 151.06 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.494 -0.928 . . . . 53.439999999999998 108.494 176.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 27' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' X' ' 68' ' ' CYS . 46.9 mt -90.11 116.3 28.02 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 123.932 0.77 . . . . 46.939999999999998 110.389 172.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.39 173.77 11.99 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 108.435 -0.95 . . . . 57.609999999999999 108.435 169.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -55.94 -46.57 78.48 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.907 -1.117 . . . . 44.5 113.892 -176.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -61.47 -38.44 87.26 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.395 1.257 . . . . 46.649999999999999 114.395 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -67.68 -40.56 84.42 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.787 -0.57 . . . . 46.520000000000003 111.692 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.18 89.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.136 0.493 . . . . 48.810000000000002 109.682 179.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -54.74 -49.89 69.73 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 115.683 -0.69 . . . . 52.289999999999999 111.966 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 34' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.68 -37.04 85.37 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.375 -0.375 . . . . 53.479999999999997 110.474 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.79 -49.9 75.61 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 107.815 -1.18 . . . . 48.659999999999997 107.815 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 36' ' ' ILE . . . . . . . . . . . . . 47.2 mt -62.97 -45.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-O 121.242 0.544 . . . . 46.600000000000001 111.919 -179.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.925 HD21 ' H ' ' X' ' 47' ' ' ILE . 3.4 m120 -62.81 -43.38 98.94 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.934 1.457 . . . . 46.899999999999999 114.934 179.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 38' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -86.5 -33.72 20.25 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.87 1.063 . . . . 45.75 113.87 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -113.5 -15.74 12.53 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 114.329 1.233 . . . . 48.450000000000003 114.329 -167.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.92 27.52 8.83 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.344 1.609 . . . . 45.619999999999997 115.344 177.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 41' ' ' SER . . . . . 0.715 ' O ' ' O ' ' X' ' 132' ' ' HOH . 35.1 p -67.39 -16.65 64.36 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 114.034 1.124 . . . . 44.670000000000002 114.034 -171.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 42' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -95.0 -9.9 32.54 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.303 0.483 . . . . 48.75 112.303 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 43' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -112.6 -34.74 5.74 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 113.097 0.776 . . . . 47.07 113.097 -176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 98.2 mt -126.29 147.59 49.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.797 0.686 . . . . 47.609999999999999 111.083 -174.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 45' ' ' GLU . . . . . 0.704 ' HG3' ' H18' ' X' ' 94' ' ' 53A . 31.7 tt0 -60.93 136.46 58.09 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.926 -0.768 . . . . 60.770000000000003 108.926 176.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -54.28 134.85 45.09 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.389 -0.967 . . . . 46.210000000000001 108.389 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 47' ' ' ILE . . . . . 0.925 ' H ' HD21 ' X' ' 37' ' ' ASN . 79.4 mt -89.61 119.87 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.122 -1.066 . . . . 44.549999999999997 108.122 -179.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -121.62 8.65 10.09 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.052 0.76 . . . . 50.060000000000002 113.052 -174.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -144.16 140.63 29.47 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 120.747 -0.381 . . . . 56.490000000000002 111.574 -169.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 50' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.36 -38.75 77.89 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.952 -0.699 . . . . 47.399999999999999 112.786 179.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.71 -27.95 68.04 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 118.46 -1.296 . . . . 51.740000000000002 113.288 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 52' ' ' VAL . . . . . . . . . . . . . 86.4 t -74.7 -43.37 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 117.555 0.161 . . . . 45.840000000000003 111.407 174.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -52.13 -52.82 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 N-CA-C 108.493 -0.929 . . . . 51.07 108.493 172.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -55.88 -49.38 73.54 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.54 -0.755 . . . . 45.259999999999998 112.193 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -64.55 -42.34 95.75 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.584 0.587 . . . . 50.259999999999998 112.584 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 56' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.05 -50.29 80.65 Favored 'Isoleucine or valine' 0 C--O 1.249 1.069 0 CA-C-N 116.263 -0.426 . . . . 47.219999999999999 110.179 178.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 57' ' ' MET . . . . . . . . . . . . . 60.3 tpp -56.41 -45.83 80.49 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.695 -0.802 . . . . 46.189999999999998 111.281 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 -43.29 62.45 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.237 1.018 . . . . 52.18 111.658 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -66.23 -44.9 82.48 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.555 -1.202 . . . . 50.259999999999998 113.015 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 60' ' ' LEU . . . . . . . . . . . . . 39.5 mt -81.62 -20.19 40.23 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.833 1.049 . . . . 45.979999999999997 113.833 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 61' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -85.48 74.07 10.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.185 0.994 . . . . 46.549999999999997 111.164 -170.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -62.99 -34.72 78.14 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.192 1.182 . . . . 45.509999999999998 114.192 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 63' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -90.77 0.84 57.32 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 117.713 -1.595 . . . . 49.399999999999999 111.259 -178.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.78 26.2 70.99 Favored Glycine 0 N--CA 1.472 1.098 0 N-CA-C 117.963 1.945 . . . . 45.939999999999998 117.963 173.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 65' ' ' ASP . . . . . 0.652 ' OD2' ' NZ ' ' X' ' 26' ' ' LYS . 34.7 p-10 -93.04 4.34 54.17 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.456 0.91 . . . . 47.18 113.456 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.6 -10.49 70.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 119.99 -1.1 . . . . 45.780000000000001 115.761 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.3 170.54 15.31 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 117.704 0.752 . . . . 48.82 109.538 -174.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 68' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' X' ' 27' ' ' LEU . 48.5 t -109.32 108.87 19.6 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.975 -1.12 . . . . 45.710000000000001 107.975 -177.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -83.87 -175.77 5.96 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 120.334 -0.546 . . . . 46.210000000000001 111.564 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.56 -43.31 94.31 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 119.393 -0.923 . . . . 48.649999999999999 112.91 -173.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -62.63 -39.02 92.5 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 112.734 0.642 . . . . 55.119999999999997 112.734 177.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 72' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -69.16 -37.18 78.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.887 0.375 . . . . 47.159999999999997 110.144 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 73' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -59.02 -46.99 86.81 Favored 'General case' 0 C--O 1.253 1.245 0 C-N-CA 120.95 -0.3 . . . . 46.140000000000001 111.427 172.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 74' ' ' MET . . . . . . . . . . . . . 58.5 mmm -57.06 -40.78 77.51 Favored 'General case' 0 C--O 1.258 1.552 0 N-CA-C 112.223 0.453 . . . . 55.82 112.223 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.93 92.66 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 121.087 -0.245 . . . . 45.369999999999997 111.114 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.05 -49.72 76.53 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-O 121.176 0.512 . . . . 47.060000000000002 110.756 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.02 -43.42 69.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 121.933 -0.479 . . . . 44.729999999999997 110.833 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.97 99.0 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 119.716 -0.794 . . . . 44.649999999999999 110.551 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtt -56.59 -48.71 76.8 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 122.034 0.921 . . . . 47.539999999999999 110.177 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 80' ' ' ILE . . . . . . . . . . . . . 54.3 mt -64.46 -45.59 95.31 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 115.32 -0.854 . . . . 47.350000000000001 109.402 -175.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 81' ' ' THR . . . . . . . . . . . . . 21.4 m -63.41 -41.38 98.72 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 114.813 -1.085 . . . . 45.659999999999997 111.458 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -67.2 -38.91 86.1 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.236 -0.438 . . . . 46.899999999999999 110.281 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.39 94.73 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 120.542 -0.463 . . . . 47.649999999999999 112.169 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 84' ' ' CYS . . . . . . . . . . . . . 39.8 t -66.76 -42.88 85.43 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.944 0.878 . . . . 49.689999999999998 110.723 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -52.98 -50.39 64.25 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.454 -1.248 . . . . 52.920000000000002 111.245 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 86' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.29 -31.35 65.65 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.651 0.611 . . . . 54.43 112.651 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -55.14 -50.2 69.86 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 122.185 -0.322 . . . . 46.200000000000003 111.863 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 88' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -100.93 -37.42 8.66 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.155 0.798 . . . . 51.200000000000003 113.155 -173.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 116.581 2.067 . . . . 59.539999999999999 116.581 -176.578 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 94' ' ' 53A . . . . . 0.704 ' H18' ' HG3' ' X' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 132' ' ' HOH . . . . . 0.715 ' O ' ' O ' ' X' ' 41' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_