data_3ulg_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 3ulg _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.257 -0.646 . . . . 144.09999999999999 109.257 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.48 -43.43 16.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 113.714 -1.585 . . . . 133.52000000000001 112.538 -178.78 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -58.34 -45.93 87.2 Favored 'General case' 0 C--O 1.251 1.165 0 C-N-CA 123.148 0.579 . . . . 139.03 110.658 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.18 -26.66 68.25 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.552 0.575 . . . . 148.83000000000001 112.552 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -66.66 -49.01 67.57 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.893 0.746 . . . . 201.25999999999999 109.705 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -72.74 -53.43 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.333 0.864 . . . . 125.23999999999999 113.333 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.0 76.59 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 106.702 -1.592 . . . . 121.68000000000001 106.702 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.8 t -64.99 -49.01 81.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.452 -0.795 . . . . 126.84999999999999 111.862 -170.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -63.44 -24.38 67.81 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.939 0.775 . . . . 131.72 112.158 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.7 35.21 25.92 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 116.641 1.416 . . . . 103.62 116.641 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -105.75 17.97 22.89 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.451 0.537 . . . . 117.62 112.451 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.34 -2.81 75.57 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 116.046 1.178 . . . . 114.92 116.046 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.18 156.25 29.07 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.786 -1.19 . . . . 100.8 107.786 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -120.77 108.72 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.189 -1.411 . . . . 133.78 107.189 169.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -70.57 162.95 27.94 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.109 0.48 . . . . 121.62 110.592 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.4 -57.75 10.57 Favored 'General case' 0 C--O 1.254 1.331 0 C-N-CA 120.281 -0.567 . . . . 141.16 110.105 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . . . -42.32 -36.8 1.35 Allowed 'General case' 0 CA--C 1.555 1.135 0 O-C-N 124.48 1.113 . . . . 108.45999999999999 112.577 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -73.45 -53.0 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.575 0.954 . . . . 141.33000000000001 113.575 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -47.5 -54.4 3.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.415 -0.957 . . . . 114.5 108.415 173.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -52.06 -52.72 49.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.287 -0.87 . . . . 140.90000000000001 111.018 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.9 68.19 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.035 0.383 . . . . 115.97 112.035 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.52 -60.26 2.36 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.119 -0.491 . . . . 128.78 110.16 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -39.98 -42.2 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.836 0 C-N-CA 123.633 0.773 . . . . 131.25999999999999 111.905 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -53.64 11.17 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.11 -0.95 . . . . 130.31999999999999 109.952 -179.771 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.49 -30.52 71.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 120.157 -0.617 . . . . 178.97999999999999 112.304 -175.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -53.7 -58.31 7.67 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.94 -0.475 . . . . 145.06 110.503 167.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -56.7 -41.27 77.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.379 0.672 . . . . 178.56 111.221 176.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.48 -11.91 8.22 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.459 -0.791 . . . . 109.16 113.078 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.8 mt -101.14 -45.78 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 118.373 -0.822 . . . . 111.47 113.155 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -65.96 -16.09 63.57 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 117.633 -1.627 . . . . 141.09999999999999 108.946 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -64.82 -62.27 1.67 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 123.426 0.454 . . . . 153.78 110.929 168.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -55.05 -41.02 70.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.863 -0.608 . . . . 139.03 112.449 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -71.56 -35.77 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.046 1.128 . . . . 143.97999999999999 114.046 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.53 -49.41 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.128 -0.629 . . . . 113.44 109.803 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -47.01 84.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.502 -0.772 . . . . 115.5 110.791 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -51.54 -46.16 63.25 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.915 0.76 . . . . 135.44999999999999 111.727 175.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.1 -54.97 41.01 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.068 -0.969 . . . . 122.67 109.697 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.8 mt -50.03 -44.58 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 CA-C-N 115.611 -0.722 . . . . 111.61 109.192 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.67 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.348 -0.387 . . . . 129.99000000000001 111.299 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -59.26 -20.03 50.86 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.51 0.559 . . . . 147.80000000000001 112.51 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 t -66.2 -25.74 67.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.808 -0.633 . . . . 124.43000000000001 110.15 172.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.9 mt -95.0 -47.94 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 120.29000000000001 110.254 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.31 101.38 2.34 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.485 -0.932 . . . . 116.15000000000001 108.485 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.84 -48.07 27.08 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.451 -0.795 . . . . 128.34 112.231 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.69 6.21 3.35 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.622 1.341 . . . . 121.84999999999999 114.622 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 41.26 34.93 1.04 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.787 -0.72 . . . . 119.73 114.244 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -79.12 -10.71 59.9 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.471 0.915 . . . . 124.91 113.471 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.36 -19.55 14.66 Favored Glycine 0 C--O 1.253 1.32 0 O-C-N 124.213 0.946 . . . . 132.41999999999999 114.027 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -142.42 154.59 44.71 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.75 -0.725 . . . . 179.43000000000001 110.786 -171.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 mt -101.31 124.58 55.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.041 0 CA-C-O 122.151 0.977 . . . . 133.33000000000001 111.976 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -89.49 -179.24 5.77 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 114.783 -1.099 . . . . 151.06 109.266 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -60.65 -43.32 97.76 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.021 1.119 . . . . 134.38999999999999 114.021 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.78 -23.2 60.77 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 115.161 1.541 . . . . 185.59 115.161 -173.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -75.7 -53.6 8.29 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.07 -1.085 . . . . 141.00999999999999 108.07 172.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.65 -38.74 56.17 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 123.942 0.776 . . . . 165.06999999999999 111.167 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.12 61.88 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.598 -0.728 . . . . 142.28 111.001 176.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -57.88 -57.19 13.88 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.309 0.576 . . . . 183.59999999999999 111.512 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -38.17 -55.32 1.31 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.712 -1.131 . . . . 168.90000000000001 112.671 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -72.37 159.68 33.61 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.438 1.274 . . . . 175.13999999999999 114.438 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 174.2 30.44 Favored Glycine 0 N--CA 1.464 0.562 0 N-CA-C 119.69 2.636 . . . . 202.00999999999999 119.69 162.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -97.93 139.9 33.08 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.358 1.063 . . . . 213.66 111.553 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 123.928 0.891 . . . . 204.87 111.248 -169.191 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 121.469 0.652 . . . . 143.12 110.816 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -45.47 93.93 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 114.666 -1.152 . . . . 133.00999999999999 111.476 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -58.03 -45.33 87.12 Favored 'General case' 0 C--O 1.255 1.369 0 C-N-CA 122.826 0.45 . . . . 138.90000000000001 111.296 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.82 0.7 . . . . 150.77000000000001 111.881 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.05 -45.3 77.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.959 -0.564 . . . . 180.31 110.064 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 mt -73.81 -56.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.023 1.12 . . . . 115.7 114.023 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -64.55 83.68 0.04 OUTLIER 'General case' 0 C--O 1.243 0.761 0 O-C-N 124.16 0.913 . . . . 112.91 109.622 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.52 -46.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 125.95999999999999 112.476 -170.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -65.3 -21.15 66.68 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.09 -0.481 . . . . 129.69 110.756 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.86 26.63 58.14 Favored Glycine 0 N--CA 1.473 1.149 0 C-N-CA 123.736 0.684 . . . . 117.89 114.748 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -94.66 28.31 2.7 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.189 0.44 . . . . 119.58 112.189 -175.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 4.96 19.75 Favored Glycine 0 C--O 1.253 1.292 0 O-C-N 124.464 1.102 . . . . 116.59 114.188 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ALA . . . . . 0.433 ' CA ' ' O ' ' B' ' 143' ' ' HOH . . . -118.16 150.65 39.03 Favored 'General case' 0 CA--C 1.496 -1.12 0 O-C-N 124.532 0.784 . . . . 96.579999999999998 109.955 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -124.11 108.8 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 N-CA-C 104.248 -2.501 . . . . 125.88 104.248 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -74.17 173.69 9.78 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.399 0.619 . . . . 128.40000000000001 111.73 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.47 -59.58 5.02 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.18 -0.608 . . . . 138.65000000000001 109.951 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' B' ' 20' ' ' GLU . 1.1 mp0 -45.65 -40.31 8.95 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.146 0.904 . . . . 184.43000000000001 111.024 -178.132 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -64.7 -46.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.331 -0.85 . . . . 123.52 112.744 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.38 -56.36 12.1 Favored 'Isoleucine or valine' 0 C--O 1.257 1.458 0 N-CA-C 106.231 -1.766 . . . . 110.72 106.231 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -50.44 -59.37 4.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.12 -1.854 . . . . 110.27 111.149 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.02 69.0 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.758 0.661 . . . . 110.18000000000001 111.955 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.41 -52.81 28.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.677 0.275 . . . . 124.27 110.723 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -53.72 -43.18 54.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 116.257 -0.429 . . . . 122.31 110.655 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -62.02 -55.29 30.78 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 112.923 0.712 . . . . 114.8 112.923 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -64.13 -33.5 75.91 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 119.699 -0.8 . . . . 175.22 112.428 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -59.51 -54.88 41.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.146 -0.454 . . . . 151.02000000000001 110.385 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -60.06 -40.64 90.19 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.448 0.468 . . . . 175.94999999999999 110.317 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.23 -25.07 2.05 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.368 -0.833 . . . . 116.51000000000001 112.321 173.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -94.83 -43.67 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.779 1.029 . . . . 120.23999999999999 113.779 -174.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -63.6 -25.16 68.11 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.381 -1.328 . . . . 162.72 111.288 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.11 -55.8 11.14 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 116.091 -0.504 . . . . 132.47999999999999 111.079 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.84 -48.1 60.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.777 1.028 . . . . 129.75999999999999 113.777 173.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.29 -34.83 78.87 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 112.36 0.504 . . . . 156.00999999999999 112.36 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.04 -49.79 54.43 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 120.303 -0.559 . . . . 106.11 109.547 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -50.85 72.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 124.217 0.948 . . . . 109.26000000000001 111.021 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -50.68 -44.06 57.66 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.858 0.724 . . . . 131.22999999999999 111.619 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.36 -52.68 64.39 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 124.161 0.913 . . . . 119.67 109.124 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 59.6 mt -54.41 -50.78 55.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 O-C-N 124.532 1.145 . . . . 119.36 109.782 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -47.28 -61.46 1.89 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.347 -0.842 . . . . 127.88 112.378 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -63.68 -21.6 66.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 132.47999999999999 112.31 -175.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 21.7 t -74.24 -26.96 60.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.276 -0.42 . . . . 137.19 110.073 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -90.33 -47.91 14.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 109.371 -0.603 . . . . 117.97 109.371 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -69.43 94.31 0.73 Allowed 'General case' 0 C--O 1.245 0.831 0 N-CA-C 105.804 -1.925 . . . . 112.58 105.804 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.31 59.87 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.032 -0.986 . . . . 135.44999999999999 111.077 -173.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -75.1 -0.41 19.0 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 114.512 1.301 . . . . 124.05 114.512 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.32 38.38 5.07 Favored Glycine 0 CA--C 1.541 1.713 0 N-CA-C 115.584 0.994 . . . . 109.94 115.584 -173.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 p30 -84.51 -8.66 58.85 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 121.145 -1.209 . . . . 125.77 113.512 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.18 -22.04 11.58 Favored Glycine 0 C--O 1.242 0.642 0 CA-C-N 115.674 -0.694 . . . . 136.91 113.625 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.73 145.4 40.24 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.283 0.564 . . . . 162.47999999999999 110.943 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.3 mt -92.45 114.2 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 106.538 -1.653 . . . . 130.09 106.538 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -84.01 -176.59 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.787 -0.765 . . . . 140.16 110.775 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -50.33 -51.39 45.91 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 115.162 1.542 . . . . 139.97 115.162 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -78.52 -17.03 56.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 114.963 1.468 . . . . 161.02000000000001 114.963 -175.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -76.42 -55.25 5.72 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.01 -0.737 . . . . 132.84 109.01 171.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -49.16 -40.28 32.24 Favored 'General case' 0 C--O 1.245 0.833 0 O-C-N 124.013 0.82 . . . . 171.59 112.483 171.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.97 50.86 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.965 -0.561 . . . . 148.63999999999999 111.538 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -54.25 -54.08 44.93 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.762 -0.654 . . . . 195.56 110.866 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -38.88 -57.07 1.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.965 1.306 . . . . 160.37 112.603 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -63.01 141.94 58.57 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.519 0.933 . . . . 177.02000000000001 113.519 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.55 163.73 13.41 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 116.818 1.487 . . . . 181.40000000000001 116.818 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -124.22 157.8 33.96 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.898 0.879 . . . . 185.69999999999999 111.448 175.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.291 0 CA-C-O 121.477 0.656 . . . . 170.55000000000001 110.267 173.063 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' HOH . . . . . 0.433 ' O ' ' CA ' ' B' ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.257 -0.646 . . . . 144.09999999999999 109.257 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.48 -43.43 16.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 113.714 -1.585 . . . . 133.52000000000001 112.538 -178.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -58.34 -45.93 87.2 Favored 'General case' 0 C--O 1.251 1.165 0 C-N-CA 123.148 0.579 . . . . 139.03 110.658 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.18 -26.66 68.25 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.552 0.575 . . . . 148.83000000000001 112.552 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -66.66 -49.01 67.57 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.893 0.746 . . . . 201.25999999999999 109.705 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 11' ' ' VAL . 6.0 mt -72.74 -53.43 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.333 0.864 . . . . 125.23999999999999 113.333 -177.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.0 76.59 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 106.702 -1.592 . . . . 121.68000000000001 106.702 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 9' ' ' ILE . 50.8 t -64.99 -49.01 81.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.452 -0.795 . . . . 126.84999999999999 111.862 -170.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -63.44 -24.38 67.81 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.939 0.775 . . . . 131.72 112.158 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.7 35.21 25.92 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 116.641 1.416 . . . . 103.62 116.641 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -105.75 17.97 22.89 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.451 0.537 . . . . 117.62 112.451 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.34 -2.81 75.57 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 116.046 1.178 . . . . 114.92 116.046 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.18 156.25 29.07 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.786 -1.19 . . . . 100.8 107.786 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -120.77 108.72 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.189 -1.411 . . . . 133.78 107.189 169.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -70.57 162.95 27.94 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.109 0.48 . . . . 121.62 110.592 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.4 -57.75 10.57 Favored 'General case' 0 C--O 1.254 1.331 0 C-N-CA 120.281 -0.567 . . . . 141.16 110.105 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . . . -42.32 -36.8 1.35 Allowed 'General case' 0 CA--C 1.555 1.135 0 O-C-N 124.48 1.113 . . . . 108.45999999999999 112.577 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -73.45 -53.0 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.575 0.954 . . . . 141.33000000000001 113.575 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -47.5 -54.4 3.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.415 -0.957 . . . . 114.5 108.415 173.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -52.06 -52.72 49.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.287 -0.87 . . . . 140.90000000000001 111.018 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.9 68.19 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.035 0.383 . . . . 115.97 112.035 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.52 -60.26 2.36 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.119 -0.491 . . . . 128.78 110.16 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -39.98 -42.2 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.836 0 C-N-CA 123.633 0.773 . . . . 131.25999999999999 111.905 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -53.64 11.17 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.11 -0.95 . . . . 130.31999999999999 109.952 -179.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.49 -30.52 71.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 120.157 -0.617 . . . . 178.97999999999999 112.304 -175.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -53.7 -58.31 7.67 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.94 -0.475 . . . . 145.06 110.503 167.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -56.7 -41.27 77.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.379 0.672 . . . . 178.56 111.221 176.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.48 -11.91 8.22 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.459 -0.791 . . . . 109.16 113.078 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.8 mt -101.14 -45.78 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 118.373 -0.822 . . . . 111.47 113.155 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -65.96 -16.09 63.57 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 117.633 -1.627 . . . . 141.09999999999999 108.946 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -64.82 -62.27 1.67 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 123.426 0.454 . . . . 153.78 110.929 168.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -55.05 -41.02 70.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.863 -0.608 . . . . 139.03 112.449 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -71.56 -35.77 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.046 1.128 . . . . 143.97999999999999 114.046 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.53 -49.41 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.128 -0.629 . . . . 113.44 109.803 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -47.01 84.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.502 -0.772 . . . . 115.5 110.791 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -51.54 -46.16 63.25 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.915 0.76 . . . . 135.44999999999999 111.727 175.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD21 HG23 ' B' ' 41' ' ' ILE . 4.7 tp -59.1 -54.97 41.01 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.068 -0.969 . . . . 122.67 109.697 177.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . 0.479 ' HA ' HD21 ' B' ' 40' ' ' LEU . 84.8 mt -50.03 -44.58 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 CA-C-N 115.611 -0.722 . . . . 111.61 109.192 176.216 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.67 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.348 -0.387 . . . . 129.99000000000001 111.299 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -59.26 -20.03 50.86 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.51 0.559 . . . . 147.80000000000001 112.51 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 t -66.2 -25.74 67.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.808 -0.633 . . . . 124.43000000000001 110.15 172.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 61' ' ' PHE . 45.9 mt -95.0 -47.94 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 120.29000000000001 110.254 179.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.31 101.38 2.34 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.485 -0.932 . . . . 116.15000000000001 108.485 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.84 -48.07 27.08 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.451 -0.795 . . . . 128.34 112.231 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.69 6.21 3.35 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.622 1.341 . . . . 121.84999999999999 114.622 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 41.26 34.93 1.04 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.787 -0.72 . . . . 119.73 114.244 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -79.12 -10.71 59.9 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.471 0.915 . . . . 124.91 113.471 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.36 -19.55 14.66 Favored Glycine 0 C--O 1.253 1.32 0 O-C-N 124.213 0.946 . . . . 132.41999999999999 114.027 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -142.42 154.59 44.71 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.75 -0.725 . . . . 179.43000000000001 110.786 -171.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.4 HG23 ' HB2' ' A' ' 57' ' ' GLU . 21.1 mt -101.31 124.58 55.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.041 0 CA-C-O 122.151 0.977 . . . . 133.33000000000001 111.976 173.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -89.49 -179.24 5.77 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 114.783 -1.099 . . . . 151.06 109.266 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -60.65 -43.32 97.76 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.021 1.119 . . . . 134.38999999999999 114.021 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.78 -23.2 60.77 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 115.161 1.541 . . . . 185.59 115.161 -173.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HB2' HG23 ' A' ' 53' ' ' ILE . 71.8 mt-10 -75.7 -53.6 8.29 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.07 -1.085 . . . . 141.00999999999999 108.07 172.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.65 -38.74 56.17 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 123.942 0.776 . . . . 165.06999999999999 111.167 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.12 61.88 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.598 -0.728 . . . . 142.28 111.001 176.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -57.88 -57.19 13.88 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.309 0.576 . . . . 183.59999999999999 111.512 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . 0.436 ' CD1' HG12 ' A' ' 45' ' ' ILE . 56.1 t80 -38.17 -55.32 1.31 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.712 -1.131 . . . . 168.90000000000001 112.671 -178.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -72.37 159.68 33.61 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.438 1.274 . . . . 175.13999999999999 114.438 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 174.2 30.44 Favored Glycine 0 N--CA 1.464 0.562 0 N-CA-C 119.69 2.636 . . . . 202.00999999999999 119.69 162.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -97.93 139.9 33.08 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.358 1.063 . . . . 213.66 111.553 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 123.928 0.891 . . . . 204.87 111.248 -169.191 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 121.469 0.652 . . . . 143.12 110.816 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -45.47 93.93 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 114.666 -1.152 . . . . 133.00999999999999 111.476 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PHE . . . . . 0.648 ' HZ ' ' O ' ' B' ' 143' ' ' HOH . 29.9 t80 -58.03 -45.33 87.12 Favored 'General case' 0 C--O 1.255 1.369 0 C-N-CA 122.826 0.45 . . . . 138.90000000000001 111.296 178.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.82 0.7 . . . . 150.77000000000001 111.881 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.05 -45.3 77.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.959 -0.564 . . . . 180.31 110.064 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 mt -73.81 -56.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.023 1.12 . . . . 115.7 114.023 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -64.55 83.68 0.04 OUTLIER 'General case' 0 C--O 1.243 0.761 0 O-C-N 124.16 0.913 . . . . 112.91 109.622 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.52 -46.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 125.95999999999999 112.476 -170.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -65.3 -21.15 66.68 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.09 -0.481 . . . . 129.69 110.756 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.86 26.63 58.14 Favored Glycine 0 N--CA 1.473 1.149 0 C-N-CA 123.736 0.684 . . . . 117.89 114.748 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -94.66 28.31 2.7 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.189 0.44 . . . . 119.58 112.189 -175.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 4.96 19.75 Favored Glycine 0 C--O 1.253 1.292 0 O-C-N 124.464 1.102 . . . . 116.59 114.188 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ALA . . . . . 0.722 ' HA ' ' O ' ' B' ' 143' ' ' HOH . . . -118.16 150.65 39.03 Favored 'General case' 0 CA--C 1.496 -1.12 0 O-C-N 124.532 0.784 . . . . 96.579999999999998 109.955 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -124.11 108.8 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 N-CA-C 104.248 -2.501 . . . . 125.88 104.248 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -74.17 173.69 9.78 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.399 0.619 . . . . 128.40000000000001 111.73 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.47 -59.58 5.02 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.18 -0.608 . . . . 138.65000000000001 109.951 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 1.1 mp0 -45.65 -40.31 8.95 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.146 0.904 . . . . 184.43000000000001 111.024 -178.132 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -64.7 -46.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.331 -0.85 . . . . 123.52 112.744 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.38 -56.36 12.1 Favored 'Isoleucine or valine' 0 C--O 1.257 1.458 0 N-CA-C 106.231 -1.766 . . . . 110.72 106.231 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -50.44 -59.37 4.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.12 -1.854 . . . . 110.27 111.149 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.02 69.0 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.758 0.661 . . . . 110.18000000000001 111.955 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.41 -52.81 28.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.677 0.275 . . . . 124.27 110.723 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -53.72 -43.18 54.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 116.257 -0.429 . . . . 122.31 110.655 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -62.02 -55.29 30.78 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 112.923 0.712 . . . . 114.8 112.923 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -64.13 -33.5 75.91 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 119.699 -0.8 . . . . 175.22 112.428 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -59.51 -54.88 41.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.146 -0.454 . . . . 151.02000000000001 110.385 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -60.06 -40.64 90.19 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.448 0.468 . . . . 175.94999999999999 110.317 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.23 -25.07 2.05 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.368 -0.833 . . . . 116.51000000000001 112.321 173.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -94.83 -43.67 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.779 1.029 . . . . 120.23999999999999 113.779 -174.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -63.6 -25.16 68.11 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.381 -1.328 . . . . 162.72 111.288 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.11 -55.8 11.14 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 116.091 -0.504 . . . . 132.47999999999999 111.079 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.84 -48.1 60.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.777 1.028 . . . . 129.75999999999999 113.777 173.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.29 -34.83 78.87 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 112.36 0.504 . . . . 156.00999999999999 112.36 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.04 -49.79 54.43 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 120.303 -0.559 . . . . 106.11 109.547 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -50.85 72.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 124.217 0.948 . . . . 109.26000000000001 111.021 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -50.68 -44.06 57.66 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.858 0.724 . . . . 131.22999999999999 111.619 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 41' ' ' ILE . 6.0 tp -57.36 -52.68 64.39 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 124.161 0.913 . . . . 119.67 109.124 176.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . 0.594 HG23 HD21 ' A' ' 40' ' ' LEU . 59.6 mt -54.41 -50.78 55.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 O-C-N 124.532 1.145 . . . . 119.36 109.782 -177.44 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -47.28 -61.46 1.89 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.347 -0.842 . . . . 127.88 112.378 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -63.68 -21.6 66.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 132.47999999999999 112.31 -175.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 21.7 t -74.24 -26.96 60.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.276 -0.42 . . . . 137.19 110.073 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ILE . . . . . 0.582 HG12 ' CD1' ' B' ' 61' ' ' PHE . 70.0 mt -90.33 -47.91 14.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 109.371 -0.603 . . . . 117.97 109.371 179.143 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -69.43 94.31 0.73 Allowed 'General case' 0 C--O 1.245 0.831 0 N-CA-C 105.804 -1.925 . . . . 112.58 105.804 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.31 59.87 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.032 -0.986 . . . . 135.44999999999999 111.077 -173.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -75.1 -0.41 19.0 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 114.512 1.301 . . . . 124.05 114.512 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.32 38.38 5.07 Favored Glycine 0 CA--C 1.541 1.713 0 N-CA-C 115.584 0.994 . . . . 109.94 115.584 -173.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 p30 -84.51 -8.66 58.85 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 121.145 -1.209 . . . . 125.77 113.512 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.18 -22.04 11.58 Favored Glycine 0 C--O 1.242 0.642 0 CA-C-N 115.674 -0.694 . . . . 136.91 113.625 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.73 145.4 40.24 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.283 0.564 . . . . 162.47999999999999 110.943 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.3 mt -92.45 114.2 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 106.538 -1.653 . . . . 130.09 106.538 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -84.01 -176.59 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.787 -0.765 . . . . 140.16 110.775 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -50.33 -51.39 45.91 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 115.162 1.542 . . . . 139.97 115.162 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -78.52 -17.03 56.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 114.963 1.468 . . . . 161.02000000000001 114.963 -175.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -76.42 -55.25 5.72 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.01 -0.737 . . . . 132.84 109.01 171.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -49.16 -40.28 32.24 Favored 'General case' 0 C--O 1.245 0.833 0 O-C-N 124.013 0.82 . . . . 171.59 112.483 171.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.97 50.86 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.965 -0.561 . . . . 148.63999999999999 111.538 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -54.25 -54.08 44.93 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.762 -0.654 . . . . 195.56 110.866 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PHE . . . . . 0.582 ' CD1' HG12 ' B' ' 45' ' ' ILE . 65.3 t80 -38.88 -57.07 1.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.965 1.306 . . . . 160.37 112.603 -176.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -63.01 141.94 58.57 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.519 0.933 . . . . 177.02000000000001 113.519 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.55 163.73 13.41 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 116.818 1.487 . . . . 181.40000000000001 116.818 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -124.22 157.8 33.96 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.898 0.879 . . . . 185.69999999999999 111.448 175.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.291 0 CA-C-O 121.477 0.656 . . . . 170.55000000000001 110.267 173.063 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 136' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 143' ' ' HOH . . . . . 0.722 ' O ' ' HA ' ' B' ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' HOH . . . . . 0.417 ' O ' ' HB3' ' B' ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.257 -0.646 . . . . 144.09999999999999 109.257 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.48 -43.43 16.69 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 113.714 -1.585 . . . . 133.52000000000001 112.538 -178.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -58.34 -45.93 87.2 Favored 'General case' 0 C--O 1.251 1.165 0 C-N-CA 123.148 0.579 . . . . 139.03 110.658 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.18 -26.66 68.25 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.552 0.575 . . . . 148.83000000000001 112.552 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -66.66 -49.01 67.57 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 123.893 0.746 . . . . 201.25999999999999 109.705 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 11' ' ' VAL . 6.0 mt -72.74 -53.43 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.333 0.864 . . . . 125.23999999999999 113.333 -177.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.0 76.59 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 106.702 -1.592 . . . . 121.68000000000001 106.702 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 9' ' ' ILE . 50.8 t -64.99 -49.01 81.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.452 -0.795 . . . . 126.84999999999999 111.862 -170.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -63.44 -24.38 67.81 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.939 0.775 . . . . 131.72 112.158 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.7 35.21 25.92 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 116.641 1.416 . . . . 103.62 116.641 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.9 p30 -105.75 17.97 22.89 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.451 0.537 . . . . 117.62 112.451 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.34 -2.81 75.57 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 116.046 1.178 . . . . 114.92 116.046 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.18 156.25 29.07 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.786 -1.19 . . . . 100.8 107.786 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -120.77 108.72 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.189 -1.411 . . . . 133.78 107.189 169.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.8 p -70.57 162.95 27.94 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.109 0.48 . . . . 121.62 110.592 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.4 -57.75 10.57 Favored 'General case' 0 C--O 1.254 1.331 0 C-N-CA 120.281 -0.567 . . . . 141.16 110.105 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . . . -42.32 -36.8 1.35 Allowed 'General case' 0 CA--C 1.555 1.135 0 O-C-N 124.48 1.113 . . . . 108.45999999999999 112.577 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -73.45 -53.0 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.575 0.954 . . . . 141.33000000000001 113.575 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -47.5 -54.4 3.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.415 -0.957 . . . . 114.5 108.415 173.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -52.06 -52.72 49.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.287 -0.87 . . . . 140.90000000000001 111.018 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.9 68.19 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.035 0.383 . . . . 115.97 112.035 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.52 -60.26 2.36 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.119 -0.491 . . . . 128.78 110.16 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -39.98 -42.2 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.836 0 C-N-CA 123.633 0.773 . . . . 131.25999999999999 111.905 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -53.64 11.17 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.11 -0.95 . . . . 130.31999999999999 109.952 -179.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.49 -30.52 71.63 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 120.157 -0.617 . . . . 178.97999999999999 112.304 -175.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -53.7 -58.31 7.67 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.94 -0.475 . . . . 145.06 110.503 167.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -56.7 -41.27 77.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.379 0.672 . . . . 178.56 111.221 176.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.48 -11.91 8.22 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.459 -0.791 . . . . 109.16 113.078 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.8 mt -101.14 -45.78 11.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 118.373 -0.822 . . . . 111.47 113.155 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -65.96 -16.09 63.57 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 117.633 -1.627 . . . . 141.09999999999999 108.946 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -64.82 -62.27 1.67 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 123.426 0.454 . . . . 153.78 110.929 168.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -55.05 -41.02 70.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.863 -0.608 . . . . 139.03 112.449 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -71.56 -35.77 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.046 1.128 . . . . 143.97999999999999 114.046 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.53 -49.41 48.45 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.128 -0.629 . . . . 113.44 109.803 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -47.01 84.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.502 -0.772 . . . . 115.5 110.791 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -51.54 -46.16 63.25 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.915 0.76 . . . . 135.44999999999999 111.727 175.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD21 HG23 ' B' ' 41' ' ' ILE . 4.7 tp -59.1 -54.97 41.01 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.068 -0.969 . . . . 122.67 109.697 177.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.479 ' HA ' HD21 ' B' ' 40' ' ' LEU . 84.8 mt -50.03 -44.58 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 CA-C-N 115.611 -0.722 . . . . 111.61 109.192 176.216 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.67 -65.24 0.71 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.348 -0.387 . . . . 129.99000000000001 111.299 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -59.26 -20.03 50.86 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.51 0.559 . . . . 147.80000000000001 112.51 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 t -66.2 -25.74 67.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.808 -0.633 . . . . 124.43000000000001 110.15 172.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 61' ' ' PHE . 45.9 mt -95.0 -47.94 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 120.29000000000001 110.254 179.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.31 101.38 2.34 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.485 -0.932 . . . . 116.15000000000001 108.485 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.84 -48.07 27.08 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.451 -0.795 . . . . 128.34 112.231 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.69 6.21 3.35 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.622 1.341 . . . . 121.84999999999999 114.622 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 41.26 34.93 1.04 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.787 -0.72 . . . . 119.73 114.244 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -79.12 -10.71 59.9 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.471 0.915 . . . . 124.91 113.471 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.36 -19.55 14.66 Favored Glycine 0 C--O 1.253 1.32 0 O-C-N 124.213 0.946 . . . . 132.41999999999999 114.027 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -142.42 154.59 44.71 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.75 -0.725 . . . . 179.43000000000001 110.786 -171.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.4 HG23 ' HB2' ' A' ' 57' ' ' GLU . 21.1 mt -101.31 124.58 55.11 Favored 'Isoleucine or valine' 0 C--O 1.249 1.041 0 CA-C-O 122.151 0.977 . . . . 133.33000000000001 111.976 173.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -89.49 -179.24 5.77 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 114.783 -1.099 . . . . 151.06 109.266 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -60.65 -43.32 97.76 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.021 1.119 . . . . 134.38999999999999 114.021 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.78 -23.2 60.77 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 115.161 1.541 . . . . 185.59 115.161 -173.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HB2' HG23 ' A' ' 53' ' ' ILE . 71.8 mt-10 -75.7 -53.6 8.29 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.07 -1.085 . . . . 141.00999999999999 108.07 172.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.65 -38.74 56.17 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 123.942 0.776 . . . . 165.06999999999999 111.167 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.12 61.88 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.598 -0.728 . . . . 142.28 111.001 176.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -57.88 -57.19 13.88 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.309 0.576 . . . . 183.59999999999999 111.512 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.436 ' CD1' HG12 ' A' ' 45' ' ' ILE . 56.1 t80 -38.17 -55.32 1.31 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.712 -1.131 . . . . 168.90000000000001 112.671 -178.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -72.37 159.68 33.61 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.438 1.274 . . . . 175.13999999999999 114.438 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.98 174.2 30.44 Favored Glycine 0 N--CA 1.464 0.562 0 N-CA-C 119.69 2.636 . . . . 202.00999999999999 119.69 162.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -97.93 139.9 33.08 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.358 1.063 . . . . 213.66 111.553 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 123.928 0.891 . . . . 204.87 111.248 -169.191 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 121.469 0.652 . . . . 143.12 110.816 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -45.47 93.93 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 114.666 -1.152 . . . . 133.00999999999999 111.476 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.648 ' HZ ' ' O ' ' B' ' 143' ' ' HOH . 29.9 t80 -58.03 -45.33 87.12 Favored 'General case' 0 C--O 1.255 1.369 0 C-N-CA 122.826 0.45 . . . . 138.90000000000001 111.296 178.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -63.98 -28.9 70.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.82 0.7 . . . . 150.77000000000001 111.881 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.05 -45.3 77.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.959 -0.564 . . . . 180.31 110.064 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 mt -73.81 -56.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.023 1.12 . . . . 115.7 114.023 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -64.55 83.68 0.04 OUTLIER 'General case' 0 C--O 1.243 0.761 0 O-C-N 124.16 0.913 . . . . 112.91 109.622 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.52 -46.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 125.95999999999999 112.476 -170.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -65.3 -21.15 66.68 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 119.09 -0.481 . . . . 129.69 110.756 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.86 26.63 58.14 Favored Glycine 0 N--CA 1.473 1.149 0 C-N-CA 123.736 0.684 . . . . 117.89 114.748 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -94.66 28.31 2.7 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 112.189 0.44 . . . . 119.58 112.189 -175.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 4.96 19.75 Favored Glycine 0 C--O 1.253 1.292 0 O-C-N 124.464 1.102 . . . . 116.59 114.188 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.722 ' HA ' ' O ' ' B' ' 143' ' ' HOH . . . -118.16 150.65 39.03 Favored 'General case' 0 CA--C 1.496 -1.12 0 O-C-N 124.532 0.784 . . . . 96.579999999999998 109.955 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -124.11 108.8 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 N-CA-C 104.248 -2.501 . . . . 125.88 104.248 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -74.17 173.69 9.78 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.399 0.619 . . . . 128.40000000000001 111.73 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.47 -59.58 5.02 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 120.18 -0.608 . . . . 138.65000000000001 109.951 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 1.1 mp0 -45.65 -40.31 8.95 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.146 0.904 . . . . 184.43000000000001 111.024 -178.132 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -64.7 -46.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.331 -0.85 . . . . 123.52 112.744 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.38 -56.36 12.1 Favored 'Isoleucine or valine' 0 C--O 1.257 1.458 0 N-CA-C 106.231 -1.766 . . . . 110.72 106.231 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -50.44 -59.37 4.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.12 -1.854 . . . . 110.27 111.149 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.02 69.0 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.758 0.661 . . . . 110.18000000000001 111.955 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.41 -52.81 28.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.677 0.275 . . . . 124.27 110.723 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -53.72 -43.18 54.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 116.257 -0.429 . . . . 122.31 110.655 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -62.02 -55.29 30.78 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 112.923 0.712 . . . . 114.8 112.923 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -64.13 -33.5 75.91 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 119.699 -0.8 . . . . 175.22 112.428 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -59.51 -54.88 41.5 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.146 -0.454 . . . . 151.02000000000001 110.385 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -60.06 -40.64 90.19 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.448 0.468 . . . . 175.94999999999999 110.317 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.23 -25.07 2.05 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.368 -0.833 . . . . 116.51000000000001 112.321 173.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 35.3 mt -94.83 -43.67 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.779 1.029 . . . . 120.23999999999999 113.779 -174.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -63.6 -25.16 68.11 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.381 -1.328 . . . . 162.72 111.288 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.11 -55.8 11.14 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 116.091 -0.504 . . . . 132.47999999999999 111.079 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -50.84 -48.1 60.01 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.777 1.028 . . . . 129.75999999999999 113.777 173.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.29 -34.83 78.87 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 112.36 0.504 . . . . 156.00999999999999 112.36 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.04 -49.79 54.43 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 120.303 -0.559 . . . . 106.11 109.547 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -50.85 72.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 124.217 0.948 . . . . 109.26000000000001 111.021 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -50.68 -44.06 57.66 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.858 0.724 . . . . 131.22999999999999 111.619 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 41' ' ' ILE . 6.0 tp -57.36 -52.68 64.39 Favored 'General case' 0 C--O 1.243 0.762 0 O-C-N 124.161 0.913 . . . . 119.67 109.124 176.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.594 HG23 HD21 ' A' ' 40' ' ' LEU . 59.6 mt -54.41 -50.78 55.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 O-C-N 124.532 1.145 . . . . 119.36 109.782 -177.44 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -47.28 -61.46 1.89 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.347 -0.842 . . . . 127.88 112.378 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -63.68 -21.6 66.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 132.47999999999999 112.31 -175.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 21.7 t -74.24 -26.96 60.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.276 -0.42 . . . . 137.19 110.073 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.582 HG12 ' CD1' ' B' ' 61' ' ' PHE . 70.0 mt -90.33 -47.91 14.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 109.371 -0.603 . . . . 117.97 109.371 179.143 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -69.43 94.31 0.73 Allowed 'General case' 0 C--O 1.245 0.831 0 N-CA-C 105.804 -1.925 . . . . 112.58 105.804 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.31 59.87 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.032 -0.986 . . . . 135.44999999999999 111.077 -173.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -75.1 -0.41 19.0 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 114.512 1.301 . . . . 124.05 114.512 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.32 38.38 5.07 Favored Glycine 0 CA--C 1.541 1.713 0 N-CA-C 115.584 0.994 . . . . 109.94 115.584 -173.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 p30 -84.51 -8.66 58.85 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 121.145 -1.209 . . . . 125.77 113.512 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.18 -22.04 11.58 Favored Glycine 0 C--O 1.242 0.642 0 CA-C-N 115.674 -0.694 . . . . 136.91 113.625 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.73 145.4 40.24 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.283 0.564 . . . . 162.47999999999999 110.943 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.3 mt -92.45 114.2 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 106.538 -1.653 . . . . 130.09 106.538 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -84.01 -176.59 6.34 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.787 -0.765 . . . . 140.16 110.775 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -50.33 -51.39 45.91 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 115.162 1.542 . . . . 139.97 115.162 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -78.52 -17.03 56.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 114.963 1.468 . . . . 161.02000000000001 114.963 -175.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -76.42 -55.25 5.72 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.01 -0.737 . . . . 132.84 109.01 171.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -49.16 -40.28 32.24 Favored 'General case' 0 C--O 1.245 0.833 0 O-C-N 124.013 0.82 . . . . 171.59 112.483 171.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.97 50.86 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.965 -0.561 . . . . 148.63999999999999 111.538 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -54.25 -54.08 44.93 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.762 -0.654 . . . . 195.56 110.866 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.582 ' CD1' HG12 ' B' ' 45' ' ' ILE . 65.3 t80 -38.88 -57.07 1.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.965 1.306 . . . . 160.37 112.603 -176.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -63.01 141.94 58.57 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.519 0.933 . . . . 177.02000000000001 113.519 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.55 163.73 13.41 Favored Glycine 0 C--O 1.247 0.925 0 N-CA-C 116.818 1.487 . . . . 181.40000000000001 116.818 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -124.22 157.8 33.96 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.898 0.879 . . . . 185.69999999999999 111.448 175.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.291 0 CA-C-O 121.477 0.656 . . . . 170.55000000000001 110.267 173.063 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ' BA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' HOH . . . . . 0.722 ' O ' ' HA ' ' B' ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' HOH . . . . . 0.417 ' O ' ' HB3' ' B' ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_