==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-12 4EUN . COMPND 2 MOLECULE: THERMORESISTANT GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: JANIBACTER SP. HTCC2649; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A P 0 0 162 0, 0.0 2,-0.1 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 157.0 3.6 22.7 27.6 2 6 A T - 0 0 26 69,-0.1 2,-0.4 73,-0.1 74,-0.1 -0.466 360.0-140.7 -80.5 156.6 3.4 26.3 26.4 3 7 A R - 0 0 50 -2,-0.1 74,-2.2 167,-0.1 2,-0.4 -0.922 12.7-167.7-120.6 147.6 1.2 27.2 23.5 4 8 A H E -a 77 0A 0 -2,-0.4 96,-2.6 72,-0.2 2,-0.4 -0.957 7.3-173.7-141.9 115.9 1.9 29.5 20.6 5 9 A V E -ab 78 100A 0 72,-2.5 74,-2.3 -2,-0.4 2,-0.5 -0.874 9.0-162.7-115.6 139.5 -0.8 30.7 18.2 6 10 A V E -ab 79 101A 0 94,-2.7 96,-2.9 -2,-0.4 2,-0.7 -0.992 6.8-156.5-121.0 123.8 -0.5 32.8 15.1 7 11 A V E -ab 80 102A 0 72,-3.0 74,-3.2 -2,-0.5 2,-0.4 -0.898 22.3-171.2 -96.2 113.2 -3.6 34.5 13.6 8 12 A M E +ab 81 103A 0 94,-2.6 96,-2.6 -2,-0.7 2,-0.3 -0.878 24.4 112.4-111.6 138.7 -2.8 35.0 10.0 9 13 A G - 0 0 0 72,-1.6 96,-0.1 -2,-0.4 3,-0.1 -0.877 62.0 -76.2 173.5 162.9 -4.8 37.0 7.4 10 14 A V > - 0 0 1 94,-0.4 3,-1.4 -2,-0.3 5,-0.3 -0.171 64.6 -74.8 -69.3 166.8 -4.6 40.2 5.3 11 15 A S T 3 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.1 104,-0.1 -0.392 120.2 25.8 -58.6 134.7 -5.1 43.7 6.8 12 16 A G T 3 S+ 0 0 11 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.564 86.7 112.0 87.5 9.5 -8.7 44.4 7.5 13 17 A S S < S- 0 0 2 -3,-1.4 -2,-0.1 -4,-0.1 -3,-0.1 0.675 91.5-107.6 -86.1 -19.8 -9.6 40.7 8.0 14 18 A G > + 0 0 16 -4,-0.2 4,-1.8 -5,-0.1 5,-0.2 0.694 67.6 146.5 102.8 24.8 -10.3 41.2 11.7 15 19 A K H > + 0 0 18 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.847 69.1 54.9 -63.5 -39.0 -7.2 39.4 13.1 16 20 A T H > S+ 0 0 68 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.929 107.3 50.2 -62.4 -44.8 -6.9 41.7 16.1 17 21 A T H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 114.5 44.1 -58.6 -46.2 -10.5 41.0 17.3 18 22 A I H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.944 115.6 46.5 -64.4 -49.1 -10.0 37.2 17.0 19 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.895 114.1 48.5 -61.1 -42.1 -6.6 37.2 18.7 20 24 A H H X S+ 0 0 101 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.900 111.0 50.6 -65.1 -43.0 -7.8 39.5 21.5 21 25 A G H X S+ 0 0 18 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.882 113.1 45.4 -63.3 -40.4 -10.9 37.3 22.0 22 26 A V H >X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.8 0.918 112.5 51.6 -67.0 -43.7 -8.8 34.2 22.2 23 27 A A H >X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 3,-0.8 0.891 103.7 57.9 -59.6 -42.4 -6.3 35.8 24.5 24 28 A D H 3< S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.706 112.3 39.9 -66.1 -20.4 -9.0 37.0 26.9 25 29 A E H << S+ 0 0 145 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.511 124.7 33.7-104.9 -6.9 -10.2 33.5 27.6 26 30 A T H << S- 0 0 12 -3,-0.8 -2,-0.2 -4,-0.8 -3,-0.2 0.562 96.7-119.2-125.0 -18.1 -7.0 31.6 27.7 27 31 A G < + 0 0 48 -4,-2.3 49,-0.2 1,-0.3 -4,-0.1 0.526 57.3 154.3 82.8 6.4 -4.4 33.9 29.2 28 32 A L - 0 0 7 -5,-0.3 2,-0.5 -6,-0.3 49,-0.3 -0.404 50.8-111.6 -65.0 142.9 -2.2 33.8 26.1 29 33 A E E -c 77 0A 65 47,-2.7 49,-2.8 -3,-0.1 2,-0.3 -0.690 32.6-142.1 -80.0 124.0 0.0 36.9 25.7 30 34 A F E +c 78 0A 71 -2,-0.5 2,-0.3 47,-0.2 49,-0.2 -0.653 25.9 168.9 -88.7 135.5 -1.2 39.0 22.8 31 35 A A E -c 79 0A 16 47,-1.9 49,-1.7 -2,-0.3 2,-0.6 -0.995 32.4-129.9-141.9 149.5 1.3 40.8 20.5 32 36 A E E > -c 80 0A 65 -2,-0.3 3,-1.4 47,-0.2 4,-0.3 -0.875 16.3-150.8 -96.8 117.9 0.9 42.5 17.1 33 37 A A G > S+ 0 0 0 47,-2.1 3,-1.9 -2,-0.6 4,-0.3 0.783 88.2 69.0 -63.8 -28.7 3.6 41.2 14.7 34 38 A D G > S+ 0 0 23 46,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.762 87.0 68.7 -63.5 -22.0 3.9 44.3 12.6 35 39 A A G < S+ 0 0 85 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.757 92.8 59.8 -68.4 -19.4 5.5 46.1 15.6 36 40 A F G < S+ 0 0 61 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.567 86.3 97.9 -82.4 -12.9 8.5 43.8 15.1 37 41 A H S < S- 0 0 14 -3,-1.4 19,-0.1 -4,-0.3 -3,-0.0 -0.422 86.8-103.0 -68.7 152.5 9.0 45.2 11.6 38 42 A S > - 0 0 54 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.390 30.9-113.9 -66.2 154.4 11.7 47.9 11.1 39 43 A P H > S+ 0 0 111 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.888 117.3 55.4 -58.8 -38.1 10.2 51.4 10.8 40 44 A E H > S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 105.2 51.0 -64.2 -40.0 11.5 51.5 7.2 41 45 A N H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 110.6 49.4 -65.5 -38.8 9.7 48.3 6.3 42 46 A I H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.949 112.8 47.5 -60.5 -48.9 6.4 49.7 7.7 43 47 A A H X S+ 0 0 36 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.877 109.1 54.1 -60.1 -39.7 7.0 53.0 5.7 44 48 A T H ><>S+ 0 0 23 -4,-2.5 5,-1.9 1,-0.2 3,-0.6 0.928 111.3 44.8 -61.6 -46.9 7.7 51.0 2.5 45 49 A M H ><5S+ 0 0 11 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.871 106.3 60.5 -65.6 -36.4 4.5 49.1 2.8 46 50 A Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 100.8 54.6 -65.0 -23.4 2.5 52.2 3.6 47 51 A R T <<5S- 0 0 172 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.492 127.5-101.7 -84.4 -3.9 3.6 53.7 0.3 48 52 A G T < 5S+ 0 0 23 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.584 78.2 135.2 98.1 13.2 2.1 50.6 -1.4 49 53 A I < - 0 0 74 -5,-1.9 -1,-0.3 1,-0.0 -2,-0.1 -0.845 51.1-132.6 -97.8 120.1 5.3 48.7 -2.1 50 54 A P - 0 0 61 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 -0.452 21.2-120.2 -68.5 142.3 5.1 45.0 -1.2 51 55 A L - 0 0 8 -2,-0.1 2,-0.2 1,-0.1 -10,-0.0 -0.370 24.9-131.8 -73.6 160.2 8.0 43.5 0.8 52 56 A T > - 0 0 71 -2,-0.1 4,-1.4 1,-0.1 5,-0.1 -0.529 29.4 -98.2-100.9 174.9 10.1 40.6 -0.6 53 57 A D H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.913 126.5 54.7 -55.4 -44.7 11.1 37.4 1.0 54 58 A E H 4 S+ 0 0 156 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.872 105.9 50.7 -59.4 -40.1 14.5 39.0 1.8 55 59 A D H 4 S+ 0 0 56 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.825 114.2 46.2 -64.0 -31.9 12.7 41.9 3.6 56 60 A R H X S+ 0 0 10 -4,-1.4 4,-2.8 -3,-0.4 5,-0.3 0.711 88.7 80.2 -91.1 -23.4 10.8 39.5 5.7 57 61 A W H X S+ 0 0 76 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.907 95.6 45.8 -55.1 -48.8 13.3 36.9 6.8 58 62 A P H > S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.891 114.2 50.7 -64.0 -34.6 14.8 39.0 9.7 59 63 A W H > S+ 0 0 9 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.934 111.0 47.1 -62.9 -50.2 11.3 39.9 10.8 60 64 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.879 111.4 52.1 -59.7 -40.5 10.1 36.3 10.8 61 65 A R H X S+ 0 0 119 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.869 107.6 51.6 -65.7 -35.4 13.2 35.3 12.7 62 66 A S H X S+ 0 0 34 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.881 110.0 49.6 -69.9 -34.8 12.6 37.9 15.4 63 67 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.908 112.0 48.1 -65.6 -42.8 9.1 36.6 15.8 64 68 A A H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 113.3 47.7 -63.2 -44.5 10.4 33.1 16.1 65 69 A E H X S+ 0 0 126 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 110.3 51.9 -64.5 -40.5 13.0 34.2 18.7 66 70 A W H X S+ 0 0 41 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.937 112.5 45.5 -62.8 -46.3 10.4 36.2 20.7 67 71 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.884 112.3 51.6 -62.2 -40.4 8.1 33.2 20.9 68 72 A D H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.907 110.9 47.3 -64.1 -41.0 11.0 30.8 21.8 69 73 A A H X S+ 0 0 59 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.864 112.1 49.8 -72.0 -36.0 12.1 33.1 24.6 70 74 A R H ><>S+ 0 0 80 -4,-2.1 5,-2.7 -5,-0.2 3,-0.9 0.949 110.6 51.4 -61.8 -49.8 8.6 33.4 25.9 71 75 A A H ><5S+ 0 0 12 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.885 104.6 56.4 -51.0 -45.2 8.3 29.6 25.8 72 76 A D H 3<5S+ 0 0 133 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.800 108.7 47.2 -62.9 -27.7 11.5 29.2 27.8 73 77 A A T <<5S- 0 0 78 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.298 123.6-104.1 -97.3 7.1 10.0 31.3 30.6 74 78 A G T < 5S+ 0 0 53 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.577 74.6 140.4 86.7 12.9 6.8 29.4 30.5 75 79 A V < - 0 0 50 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.777 40.3-149.7 -98.4 125.3 4.8 32.1 28.7 76 80 A S - 0 0 9 -2,-0.5 -47,-2.7 94,-0.3 2,-0.3 -0.665 21.2-162.1 -91.1 149.8 2.2 31.1 26.1 77 81 A T E -ac 4 29A 0 -74,-2.2 -72,-2.5 -49,-0.3 2,-0.3 -0.900 24.4-165.7-136.7 154.9 1.5 33.6 23.2 78 82 A I E -ac 5 30A 0 -49,-2.8 -47,-1.9 -2,-0.3 2,-0.3 -0.970 19.7-178.8-138.4 128.0 -0.8 34.6 20.4 79 83 A I E -ac 6 31A 0 -74,-2.3 -72,-3.0 -2,-0.3 2,-0.5 -0.932 23.3-131.0-125.5 149.5 0.3 37.0 17.7 80 84 A T E -ac 7 32A 0 -49,-1.7 -47,-2.1 -2,-0.3 2,-0.3 -0.865 29.0-178.6 -96.1 133.4 -1.4 38.5 14.7 81 85 A C E -a 8 0A 1 -74,-3.2 -72,-1.6 -2,-0.5 3,-0.1 -0.962 22.6-129.3-126.1 149.3 0.4 38.3 11.3 82 86 A S - 0 0 10 -2,-0.3 -72,-0.2 1,-0.2 -73,-0.1 0.118 69.6 -29.6 -71.6-161.4 -0.3 39.6 7.8 83 87 A A - 0 0 1 -75,-0.1 2,-0.4 52,-0.1 -1,-0.2 -0.267 67.4-165.8 -61.8 136.2 -0.1 37.2 4.9 84 88 A L - 0 0 0 -3,-0.1 52,-1.6 52,-0.1 2,-0.2 -0.979 14.4-141.6-126.7 139.4 2.4 34.3 5.2 85 89 A K > - 0 0 51 -2,-0.4 4,-1.8 50,-0.2 3,-0.5 -0.494 36.8-106.1 -77.7 160.6 3.9 31.9 2.7 86 90 A R H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.915 123.1 54.4 -52.0 -47.8 4.5 28.3 3.8 87 91 A T H > S+ 0 0 62 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.813 105.3 54.0 -58.3 -32.7 8.2 29.0 4.0 88 92 A Y H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.899 107.1 50.2 -67.3 -42.8 7.5 31.9 6.3 89 93 A R H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.853 104.5 59.3 -63.9 -34.0 5.5 29.6 8.6 90 94 A D H < S+ 0 0 57 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.913 105.4 49.0 -57.5 -43.0 8.5 27.2 8.6 91 95 A V H >< S+ 0 0 14 -4,-1.4 3,-1.4 1,-0.2 4,-0.3 0.924 108.3 52.4 -64.8 -43.8 10.7 30.0 10.0 92 96 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.903 105.9 56.2 -56.4 -39.5 8.1 30.8 12.7 93 97 A R T 3< S+ 0 0 67 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.593 90.5 73.2 -73.1 -9.3 8.2 27.1 13.7 94 98 A E T < S+ 0 0 143 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.644 97.9 52.8 -74.2 -14.3 12.0 27.3 14.2 95 99 A G S < S+ 0 0 13 -3,-1.6 -2,-0.1 -4,-0.3 -30,-0.1 0.918 105.2 25.6 -84.6 -89.6 11.3 29.2 17.4 96 100 A P S S- 0 0 5 0, 0.0 -28,-0.1 0, 0.0 3,-0.1 -0.189 88.2 -97.4 -79.6 170.5 9.0 27.7 20.0 97 101 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.699 102.0 1.0 -66.9 -17.7 8.2 24.0 20.4 98 102 A S - 0 0 47 2,-0.0 2,-0.4 -93,-0.0 -94,-0.0 -0.973 58.6-155.3-159.8 155.2 5.0 24.3 18.4 99 103 A V - 0 0 6 -2,-0.3 44,-0.5 -96,-0.1 2,-0.4 -0.969 6.8-163.1-137.9 125.8 2.9 26.8 16.4 100 104 A D E -b 5 0A 16 -96,-2.6 -94,-2.7 -2,-0.4 2,-0.4 -0.893 14.6-146.8-107.1 134.2 -0.8 26.6 15.7 101 105 A F E -bd 6 144A 0 42,-2.6 44,-1.9 -2,-0.4 2,-0.6 -0.844 14.0-164.8-108.2 134.7 -2.3 28.8 13.0 102 106 A L E -bd 7 145A 0 -96,-2.9 -94,-2.6 -2,-0.4 2,-0.9 -0.968 17.4-157.0-108.7 112.3 -5.7 30.4 12.8 103 107 A H E -bd 8 146A 14 42,-3.1 44,-3.3 -2,-0.6 2,-0.6 -0.799 6.3-165.7 -97.0 103.0 -6.1 31.5 9.1 104 108 A L E + d 0 147A 2 -96,-2.6 -94,-0.4 -2,-0.9 2,-0.3 -0.785 31.4 131.2 -92.2 119.2 -8.7 34.3 8.9 105 109 A D E + d 0 148A 29 42,-2.4 44,-2.4 -2,-0.6 45,-0.3 -0.965 21.3 157.6-161.0 171.3 -9.8 34.8 5.4 106 110 A G - 0 0 21 -2,-0.3 5,-0.0 42,-0.2 42,-0.0 -0.964 54.6 -32.1 179.3-175.8 -12.6 35.2 2.9 107 111 A P >> - 0 0 49 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.334 52.8-125.0 -61.1 139.6 -13.6 36.6 -0.5 108 112 A A H 3> S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.839 109.7 60.4 -50.1 -38.5 -11.6 39.6 -1.6 109 113 A E H 3> S+ 0 0 166 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.842 105.4 47.0 -61.9 -36.4 -14.8 41.5 -2.2 110 114 A V H <> S+ 0 0 51 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.882 111.4 50.9 -73.5 -40.5 -15.9 41.1 1.5 111 115 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.939 110.4 49.5 -61.3 -47.4 -12.4 42.2 2.7 112 116 A K H X S+ 0 0 128 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.863 109.3 52.6 -59.5 -38.0 -12.6 45.3 0.5 113 117 A G H < S+ 0 0 31 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.860 107.5 51.4 -66.6 -36.7 -16.1 46.1 1.8 114 118 A R H >< S+ 0 0 82 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.939 109.8 49.5 -62.8 -46.7 -14.8 45.9 5.4 115 119 A M H >< S+ 0 0 16 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.792 102.4 62.3 -63.7 -29.7 -11.9 48.3 4.7 116 120 A S T 3< S+ 0 0 91 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.648 94.0 63.5 -72.5 -14.6 -14.3 50.8 3.0 117 121 A K T < S+ 0 0 164 -3,-1.4 2,-0.4 -4,-0.4 -1,-0.3 0.293 91.7 81.7 -93.4 9.3 -16.2 51.2 6.3 118 122 A R < - 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