==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE 21-MAY-12 4F9V . COMPND 2 MOLECULE: CG32412; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR P.KOLENKO,B.KOCH,D.RUIZ-CARILO,M.T.STUBBS . 606 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 56 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 4 1 0 0 0 0 0 3 1 2 0 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 4 0 0 2 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 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 30 A I > 0 0 152 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-121.2 20.5 105.3 -32.5 2 31 A G G > + 0 0 14 1,-0.2 3,-0.5 216,-0.1 217,-0.1 0.580 360.0 72.5 -64.5 -10.3 18.6 108.5 -31.6 3 32 A S G 3 + 0 0 69 1,-0.2 3,-0.2 3,-0.1 -1,-0.2 0.423 67.5 86.2 -92.8 -2.3 15.9 106.1 -32.8 4 33 A Q G < S+ 0 0 100 -3,-0.7 2,-0.7 1,-0.2 -1,-0.2 0.920 94.0 43.0 -61.1 -42.8 15.9 103.9 -29.7 5 34 A W S < S- 0 0 25 -3,-0.5 -1,-0.2 -4,-0.2 2,-0.1 -0.881 82.6-164.7-114.9 103.5 13.5 106.2 -27.9 6 35 A R - 0 0 191 -2,-0.7 -3,-0.1 110,-0.2 -2,-0.0 -0.375 23.5 -94.1 -87.9 161.7 10.6 107.4 -30.1 7 36 A D - 0 0 59 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.236 22.8-167.2 -60.7 153.1 8.1 110.2 -29.7 8 37 A D > + 0 0 52 1,-0.1 4,-2.0 2,-0.0 108,-0.1 -0.612 21.0 160.1-139.7 79.2 4.6 109.6 -28.2 9 38 A E H > S+ 0 0 65 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.754 70.7 65.0 -74.3 -25.7 2.8 112.9 -29.1 10 39 A V H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.975 110.0 40.0 -56.5 -51.4 -0.6 111.2 -28.7 11 40 A H H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 115.4 51.9 -62.5 -43.5 0.3 110.9 -25.0 12 41 A F H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.964 109.8 48.3 -58.7 -52.4 2.0 114.3 -24.9 13 42 A N H X S+ 0 0 46 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.846 113.3 46.0 -60.2 -38.3 -1.0 116.1 -26.3 14 43 A R H X S+ 0 0 139 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.873 113.3 50.2 -71.4 -40.2 -3.5 114.4 -24.0 15 44 A T H X S+ 0 0 2 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.932 111.2 48.5 -62.4 -47.1 -1.3 115.0 -21.0 16 45 A L H >X S+ 0 0 6 -4,-3.1 4,-2.7 -5,-0.2 3,-0.7 0.945 110.6 50.7 -58.0 -49.3 -0.9 118.7 -21.9 17 46 A D H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.6 53.5 -57.7 -35.3 -4.7 119.2 -22.4 18 47 A S H 3< S+ 0 0 36 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.807 116.7 37.0 -72.3 -29.0 -5.4 117.6 -19.0 19 48 A I H << S+ 0 0 0 -4,-1.4 2,-2.4 -3,-0.7 -2,-0.2 0.775 94.3 90.3 -87.8 -29.5 -3.0 120.0 -17.3 20 49 A L < + 0 0 30 -4,-2.7 -1,-0.1 -5,-0.2 254,-0.1 -0.371 62.2 102.6 -81.5 71.7 -3.8 123.1 -19.3 21 50 A V S S- 0 0 31 -2,-2.4 2,-0.2 77,-0.2 75,-0.0 -0.948 86.1 -75.7-141.3 156.8 -6.6 124.7 -17.3 22 51 A P + 0 0 56 0, 0.0 7,-0.2 0, 0.0 76,-0.1 -0.412 54.8 170.1 -59.8 131.3 -6.7 127.6 -14.8 23 52 A R + 0 0 0 74,-0.3 65,-2.0 6,-0.2 2,-0.2 -0.339 7.8 162.5-151.8 52.2 -5.1 126.4 -11.7 24 53 A V > - 0 0 28 63,-0.2 3,-2.4 71,-0.2 6,-0.4 -0.529 61.4 -87.0 -62.6 139.1 -4.4 129.1 -9.1 25 54 A V T 3 S+ 0 0 3 63,-0.3 -1,-0.1 1,-0.3 40,-0.1 -0.331 119.9 28.3 -51.7 134.7 -3.9 127.4 -5.7 26 55 A G T 3 S+ 0 0 29 38,-0.3 -1,-0.3 1,-0.3 511,-0.1 0.224 97.1 116.8 95.4 -15.1 -7.3 127.0 -4.1 27 56 A S S <> S- 0 0 36 -3,-2.4 4,-1.4 510,-0.1 -1,-0.3 -0.396 77.4-113.7 -84.1 164.8 -9.3 126.8 -7.4 28 57 A R H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.917 117.9 54.0 -59.6 -42.5 -11.3 124.0 -8.9 29 58 A G H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.838 102.4 56.3 -61.8 -34.6 -8.8 123.6 -11.6 30 59 A H H > S+ 0 0 7 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.877 108.3 47.3 -67.5 -37.0 -5.9 123.3 -9.3 31 60 A Q H X S+ 0 0 63 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.819 109.6 53.9 -73.5 -33.4 -7.5 120.3 -7.5 32 61 A Q H X S+ 0 0 74 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.918 113.0 42.8 -64.4 -43.6 -8.3 118.7 -10.9 33 62 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.879 111.0 55.7 -74.3 -36.9 -4.7 118.9 -12.0 34 63 A R H X S+ 0 0 36 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 112.0 42.2 -55.5 -54.0 -3.4 117.8 -8.6 35 64 A E H X S+ 0 0 97 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.902 112.7 55.3 -62.5 -39.5 -5.5 114.6 -8.8 36 65 A Y H X S+ 0 0 42 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.889 106.7 50.1 -61.1 -41.3 -4.6 114.2 -12.4 37 66 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.922 110.4 49.8 -64.9 -42.0 -0.9 114.3 -11.6 38 67 A V H X S+ 0 0 35 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 113.9 44.8 -60.9 -46.6 -1.3 111.7 -8.8 39 68 A Q H X S+ 0 0 125 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 114.4 49.8 -61.8 -46.2 -3.3 109.3 -11.2 40 69 A S H X S+ 0 0 22 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.901 110.8 47.1 -62.7 -48.0 -0.8 109.8 -14.0 41 70 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 -1,-0.2 0.906 113.2 50.1 -59.3 -43.1 2.3 109.2 -11.9 42 71 A N H ><5S+ 0 0 86 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.907 109.7 50.6 -61.8 -41.3 0.7 106.0 -10.4 43 72 A G H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.732 106.2 55.0 -71.5 -25.4 -0.2 104.8 -13.9 44 73 A L T 3<5S- 0 0 36 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.267 125.9-103.3 -87.9 6.4 3.4 105.3 -15.1 45 74 A G T < 5S+ 0 0 29 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.716 72.2 142.8 83.6 26.3 4.5 103.1 -12.2 46 75 A F < - 0 0 8 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.3 -0.707 57.0-118.4 -91.7 150.6 5.8 105.7 -9.7 47 76 A Q E -A 71 0A 92 24,-3.0 24,-2.0 -2,-0.3 2,-0.5 -0.790 41.7-150.8 -77.8 121.4 5.5 105.6 -6.0 48 77 A T E +A 70 0A 30 -2,-0.6 2,-0.3 22,-0.2 22,-0.2 -0.854 22.6 173.6-112.7 127.5 3.4 108.8 -5.4 49 78 A E E -A 69 0A 116 20,-2.5 20,-2.9 -2,-0.5 2,-0.5 -0.978 19.2-146.8-128.3 141.0 3.5 111.0 -2.3 50 79 A V E -A 68 0A 56 -2,-0.3 2,-0.9 18,-0.2 18,-0.2 -0.926 3.8-153.2-107.4 128.1 1.7 114.3 -1.7 51 80 A D E -A 67 0A 10 16,-2.7 16,-2.3 -2,-0.5 2,-0.4 -0.883 29.5-178.7 -97.5 96.1 3.5 116.9 0.5 52 81 A E E +A 66 0A 109 -2,-0.9 2,-0.3 14,-0.3 14,-0.2 -0.848 9.3 152.0-104.7 135.4 0.3 118.7 1.6 53 82 A F E -A 65 0A 19 12,-2.4 12,-2.8 -2,-0.4 2,-0.4 -0.989 37.9-120.0-157.3 158.0 0.3 121.8 3.9 54 83 A K E +A 64 0A 139 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.835 33.7 169.8-102.4 138.8 -1.6 124.9 4.9 55 84 A Q E -A 63 0A 71 8,-2.5 8,-2.7 -2,-0.4 2,-0.5 -0.995 32.1-123.1-151.6 144.4 -0.0 128.3 4.6 56 85 A R E +A 62 0A 176 -2,-0.3 6,-0.3 6,-0.2 -2,-0.0 -0.757 38.8 170.8 -89.1 128.7 -1.1 132.0 4.8 57 86 A V E > -A 61 0A 13 4,-2.4 4,-2.2 -2,-0.5 94,-0.1 -0.884 38.4 -71.4-134.0 164.2 -0.4 134.1 1.7 58 87 A P T 4 S- 0 0 51 0, 0.0 2,-3.0 0, 0.0 -1,-0.1 -0.155 108.5 -1.7 -53.7 147.6 -1.1 137.5 0.3 59 88 A V T 4 S+ 0 0 56 1,-0.2 86,-0.0 86,-0.0 0, 0.0 -0.279 133.4 51.7 75.2 -54.5 -4.7 138.2 -1.0 60 89 A F T 4 S- 0 0 79 -2,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.705 83.8-156.1 -88.0 -22.6 -6.0 134.7 -0.3 61 90 A G E < +A 57 0A 29 -4,-2.2 -4,-2.4 2,-0.0 2,-0.5 -0.653 67.1 19.0 75.7-137.0 -5.1 134.1 3.4 62 91 A E E S+A 56 0A 92 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.2 -0.590 72.9 173.2 -76.1 123.1 -4.9 130.4 4.2 63 92 A L E -A 55 0A 17 -8,-2.7 -8,-2.5 -2,-0.5 2,-0.6 -0.894 31.1-124.5-120.9 155.6 -4.4 128.1 1.2 64 93 A T E -A 54 0A 62 -2,-0.3 -38,-0.3 -10,-0.2 2,-0.2 -0.918 29.6-167.9-103.6 113.5 -3.8 124.4 1.0 65 94 A F E -A 53 0A 0 -12,-2.8 -12,-2.4 -2,-0.6 2,-0.3 -0.652 6.3-171.3 -95.8 151.9 -0.7 123.6 -1.0 66 95 A A E -A 52 0A 0 -2,-0.2 2,-0.3 -14,-0.2 -14,-0.3 -0.808 10.4-158.9-149.5 107.6 0.4 120.1 -2.3 67 96 A N E -A 51 0A 0 -16,-2.3 -16,-2.7 -2,-0.3 2,-0.5 -0.623 19.2-145.6 -73.2 142.4 3.7 119.2 -3.9 68 97 A V E -AB 50 137A 0 69,-2.4 69,-3.3 -2,-0.3 2,-0.5 -0.967 18.9-175.3-118.9 118.6 3.3 116.0 -5.9 69 98 A V E -AB 49 136A 15 -20,-2.9 -20,-2.5 -2,-0.5 2,-0.4 -0.957 9.7-169.6-121.9 129.1 6.3 113.6 -6.0 70 99 A G E -AB 48 135A 0 65,-2.9 65,-2.8 -2,-0.5 2,-0.4 -0.947 10.0-173.8-112.6 137.5 6.7 110.4 -7.9 71 100 A T E -AB 47 134A 15 -24,-2.0 -24,-3.0 -2,-0.4 2,-0.4 -0.997 16.5-164.6-132.6 136.0 9.7 108.1 -7.3 72 101 A I E S+ B 0 133A 2 61,-2.3 61,-2.2 -2,-0.4 -26,-0.1 -0.982 87.5 14.7-111.9 133.4 11.0 104.9 -8.9 73 102 A N S > S- 0 0 19 -2,-0.4 3,-2.3 59,-0.2 -1,-0.2 0.941 74.0-177.9 61.6 60.6 13.5 103.0 -6.8 74 103 A P T 3 S+ 0 0 43 0, 0.0 58,-0.1 0, 0.0 -2,-0.1 0.670 79.0 53.4 -60.4 -21.6 12.6 104.9 -3.5 75 104 A Q T 3 S+ 0 0 153 56,-0.1 -2,-0.1 3,-0.0 57,-0.0 0.255 82.2 125.1-101.9 12.2 15.3 102.9 -1.5 76 105 A A < - 0 0 5 -3,-2.3 54,-0.2 1,-0.1 55,-0.1 -0.248 69.7-122.3 -60.8 156.3 18.1 103.8 -4.0 77 106 A Q S S+ 0 0 108 52,-2.1 2,-0.3 1,-0.1 54,-0.2 0.865 89.3 10.8 -69.5 -33.6 21.2 105.5 -2.6 78 107 A N E S-c 131 0A 25 52,-1.4 54,-2.1 51,-0.2 2,-0.4 -0.905 70.6-141.0-148.0 165.3 20.9 108.6 -4.8 79 108 A F E -cd 132 182A 19 102,-2.6 104,-2.9 -2,-0.3 105,-0.7 -0.977 14.7-143.2-140.9 138.3 18.4 110.2 -7.2 80 109 A L E -cd 133 184A 0 52,-2.1 54,-2.9 -2,-0.4 2,-0.5 -0.930 33.4-159.7 -88.8 124.8 18.0 112.1 -10.4 81 110 A A E -cd 134 185A 0 103,-2.0 105,-2.9 -2,-0.6 2,-0.4 -0.951 11.9-171.8-113.9 132.3 15.3 114.6 -9.7 82 111 A L E -cd 135 186A 0 52,-2.6 54,-3.1 -2,-0.5 2,-0.3 -0.956 16.9-178.8-122.0 135.8 13.3 116.3 -12.5 83 112 A A E +cd 136 187A 0 103,-2.8 105,-3.0 -2,-0.4 2,-0.3 -0.957 21.7 160.8-144.3 155.4 10.9 119.2 -11.6 84 113 A A E -c 137 0A 0 52,-1.6 54,-1.9 -2,-0.3 2,-0.4 -0.950 38.6-107.4-158.0 162.0 8.3 121.7 -12.8 85 114 A H E -c 138 0A 1 103,-0.4 22,-0.3 -2,-0.3 54,-0.2 -0.823 19.1-168.5 -99.7 142.3 5.6 123.8 -11.1 86 115 A Y + 0 0 0 52,-2.4 53,-0.2 -2,-0.4 -1,-0.1 0.587 57.7 93.5-106.3 -14.0 1.9 122.9 -11.7 87 116 A D - 0 0 2 51,-0.6 2,-0.3 -54,-0.0 -63,-0.2 -0.384 66.3-138.5 -68.1 156.2 0.2 126.0 -10.2 88 117 A S - 0 0 3 -65,-2.0 -63,-0.3 -2,-0.1 2,-0.1 -0.901 25.8 -94.1-114.8 153.7 -0.7 128.9 -12.4 89 118 A K - 0 0 26 13,-0.4 2,-0.4 -2,-0.3 -65,-0.1 -0.336 32.4-124.9 -68.1 135.7 -0.3 132.6 -11.7 90 119 A Y + 0 0 60 53,-0.5 3,-0.1 -2,-0.1 -1,-0.1 -0.685 30.1 176.2 -79.1 128.4 -3.2 134.6 -10.2 91 120 A F > - 0 0 48 -2,-0.4 3,-2.4 3,-0.2 6,-0.2 -0.936 25.6-149.4-134.1 111.1 -4.1 137.7 -12.2 92 121 A P T 3 S+ 0 0 57 0, 0.0 474,-0.1 0, 0.0 -1,-0.1 0.865 102.9 39.9 -41.7 -44.4 -7.2 139.7 -11.0 93 122 A N T 3 S+ 0 0 110 1,-0.2 3,-0.1 -3,-0.1 471,-0.1 0.224 117.9 48.8 -97.2 14.7 -7.9 140.7 -14.7 94 123 A D X + 0 0 31 -3,-2.4 3,-1.8 1,-0.1 -1,-0.2 -0.358 50.6 155.6-152.0 63.4 -7.1 137.3 -16.2 95 124 A P T 3 S+ 0 0 61 0, 0.0 -71,-0.2 0, 0.0 -1,-0.1 0.723 77.2 63.9 -61.8 -21.3 -8.8 134.4 -14.4 96 125 A G T 3 S+ 0 0 48 -3,-0.1 -3,-0.0 -5,-0.1 -2,-0.0 0.430 71.6 131.2 -82.4 0.8 -8.6 132.4 -17.7 97 126 A F < + 0 0 6 -3,-1.8 -74,-0.3 -6,-0.2 176,-0.1 -0.312 29.0 176.4 -59.8 128.6 -4.7 132.4 -17.6 98 127 A V - 0 0 24 174,-0.5 6,-0.2 172,-0.2 -77,-0.2 0.462 30.4-137.9-114.1 -5.1 -3.4 128.9 -18.2 99 128 A G > - 0 0 0 173,-0.2 5,-2.0 170,-0.2 6,-0.2 0.945 25.1-176.9 44.7 62.1 0.3 129.4 -18.3 100 129 A A T >S+ 0 0 0 172,-2.1 5,-2.6 1,-0.2 3,-0.2 0.925 85.9 26.8 -56.0 -47.4 0.9 127.1 -21.2 101 130 A T T 5S+ 0 0 2 1,-0.2 90,-1.4 3,-0.2 89,-0.8 0.645 109.9 82.4 -83.4 -14.2 4.7 127.6 -21.1 102 131 A D T 5S- 0 0 2 88,-0.2 -13,-0.4 1,-0.2 -1,-0.2 -0.728 128.2 -54.4-136.3 70.8 4.6 128.4 -17.3 103 132 A S T >5S+ 0 0 0 -2,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.641 116.3 96.2-139.1 48.3 4.6 125.5 -16.7 104 133 A A H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.928 113.1 47.5 -50.5 -46.0 7.2 121.6 -18.7 107 136 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -22,-0.3 -2,-0.2 0.903 112.6 48.3 -60.1 -44.5 4.9 119.4 -16.5 108 137 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.880 107.2 56.9 -65.7 -38.2 3.6 117.5 -19.5 109 138 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.881 104.7 52.4 -57.2 -41.3 7.2 116.9 -20.7 110 139 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.958 113.7 41.6 -62.5 -50.7 8.1 115.2 -17.4 111 140 A L H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.902 115.6 51.1 -63.6 -42.1 5.2 112.8 -17.6 112 141 A N H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.802 105.9 55.4 -64.5 -31.3 5.8 112.2 -21.3 113 142 A T H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.904 107.6 49.0 -68.1 -41.9 9.5 111.5 -20.7 114 143 A A H < S+ 0 0 5 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.865 113.4 49.4 -63.1 -34.0 8.5 108.8 -18.2 115 144 A K H >< S+ 0 0 89 -4,-1.6 3,-1.9 2,-0.2 4,-0.2 0.961 111.3 44.9 -69.8 -54.5 6.1 107.4 -20.8 116 145 A T H 3< S+ 0 0 16 -4,-2.8 3,-0.3 1,-0.3 -110,-0.2 0.751 117.6 45.2 -66.3 -25.4 8.5 107.3 -23.8 117 146 A L T >X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 3,-1.4 0.221 81.6 115.5 -95.5 13.9 11.2 105.8 -21.7 118 147 A G H <> + 0 0 10 -3,-1.9 4,-2.7 1,-0.3 5,-0.2 0.829 65.8 60.9 -54.1 -38.2 8.7 103.3 -20.2 119 148 A A H 34 S+ 0 0 76 -3,-0.3 5,-0.5 -4,-0.2 4,-0.4 0.796 114.0 37.3 -64.4 -27.4 10.3 100.2 -21.6 120 149 A Y H <4>S+ 0 0 5 -3,-1.4 5,-2.4 3,-0.1 3,-0.5 0.897 118.6 46.8 -82.1 -51.3 13.4 101.1 -19.6 121 150 A L H <5S+ 0 0 6 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.752 105.5 60.2 -66.7 -29.2 11.8 102.4 -16.5 122 151 A Q T <5S- 0 0 143 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.1 0.835 127.8 -7.9 -67.4 -35.1 9.3 99.5 -16.2 123 152 A K T >>5S+ 0 0 172 -3,-0.5 3,-1.5 -4,-0.4 4,-0.7 0.620 127.6 41.9-127.2 -77.0 12.0 96.8 -15.9 124 153 A E G >45S+ 0 0 98 -5,-0.5 3,-1.6 1,-0.3 -3,-0.2 0.894 113.1 54.8 -53.6 -44.1 15.8 97.2 -16.3 125 154 A F G 34 + 0 0 0 -12,-2.3 4,-2.2 -2,-0.2 -12,-0.3 0.709 61.2 161.1 43.6 44.3 8.2 129.2 -4.3 154 183 A Y H > + 0 0 9 -14,-2.3 4,-1.7 1,-0.2 -14,-0.2 0.868 69.8 45.0 -63.0 -47.6 6.0 128.2 -1.4 155 184 A G H > S+ 0 0 0 -16,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.895 113.5 50.7 -65.9 -40.8 5.8 124.5 -2.2 156 185 A S H > S+ 0 0 0 -17,-0.5 4,-2.7 2,-0.2 5,-0.2 0.861 106.3 54.1 -64.8 -41.0 9.5 124.2 -2.8 157 186 A K H X S+ 0 0 59 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.955 113.8 45.0 -56.0 -45.5 10.4 125.9 0.4 158 187 A H H X S+ 0 0 62 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.861 114.1 45.7 -70.3 -38.9 8.3 123.4 2.2 159 188 A L H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.873 112.2 52.3 -70.7 -39.8 9.6 120.3 0.3 160 189 A A H X S+ 0 0 3 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.920 111.2 46.7 -61.3 -47.8 13.2 121.4 0.7 161 190 A A H X S+ 0 0 60 -4,-2.2 4,-1.5 -5,-0.2 3,-0.3 0.912 112.6 50.5 -58.4 -46.3 12.7 121.8 4.5 162 191 A K H < S+ 0 0 114 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.932 113.6 43.8 -60.2 -46.7 11.0 118.4 4.7 163 192 A L H < S+ 0 0 32 -4,-2.6 16,-2.4 1,-0.2 15,-0.4 0.681 111.5 56.5 -69.5 -20.8 13.7 116.6 2.8 164 193 A A H < S+ 0 0 12 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.801 86.0 93.5 -83.5 -29.9 16.4 118.4 4.8 165 194 A S < - 0 0 79 -4,-1.5 13,-0.3 -3,-0.3 2,-0.1 -0.405 65.2-143.6 -75.3 139.5 15.3 117.4 8.3 166 195 A K - 0 0 89 -2,-0.1 2,-0.2 11,-0.1 -1,-0.1 -0.398 7.8-121.2 -94.5 167.7 16.9 114.3 9.9 167 196 A R - 0 0 211 1,-0.1 -1,-0.1 -2,-0.1 2,-0.0 -0.634 41.2 -87.3 -97.5 169.2 15.5 111.5 12.2 168 197 A S S S+ 0 0 103 -2,-0.2 4,-0.4 4,-0.1 -1,-0.1 -0.257 76.8 49.3 -71.7 160.0 16.9 110.7 15.7 169 198 A G S > S- 0 0 34 3,-0.1 4,-3.5 2,-0.1 5,-0.2 0.163 87.6 -76.0 99.8 156.5 19.8 108.3 16.5 170 199 A S H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.920 126.1 51.9 -48.7 -56.3 23.5 107.5 15.6 171 200 A Q H > S+ 0 0 133 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.872 116.3 40.7 -53.4 -41.6 22.5 105.7 12.3 172 201 A A H 4 S+ 0 0 15 -4,-0.4 3,-0.2 -3,-0.2 -2,-0.2 0.947 114.1 52.0 -71.9 -47.7 20.4 108.8 11.2 173 202 A Q H < S+ 0 0 114 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.736 116.4 40.6 -65.4 -24.4 23.0 111.4 12.5 174 203 A L H < S+ 0 0 157 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.655 105.8 82.8 -90.1 -23.8 25.8 109.6 10.5 175 204 A A S < S- 0 0 34 -4,-1.2 3,-0.1 -5,-0.3 -3,-0.0 -0.402 91.2 -95.0 -75.5 155.9 23.5 109.0 7.5 176 205 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.292 38.0-102.2 -67.5 154.8 22.9 111.6 4.9 177 206 A R > - 0 0 55 1,-0.1 3,-0.8 -11,-0.1 4,-0.5 -0.476 35.0-116.6 -61.8 146.1 19.9 114.0 4.9 178 207 A N G > S+ 0 0 100 -15,-0.4 3,-2.1 -13,-0.3 4,-0.3 0.946 117.0 57.5 -52.4 -44.1 17.3 112.8 2.3 179 208 A I G > S+ 0 0 0 -16,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.761 97.4 61.6 -60.0 -26.9 17.9 116.0 0.4 180 209 A D G < S+ 0 0 44 -3,-0.8 -1,-0.3 -17,-0.3 -2,-0.2 0.617 90.5 68.8 -77.2 -12.0 21.6 115.2 0.1 181 210 A R G < S+ 0 0 49 -3,-2.1 -102,-2.6 -4,-0.5 2,-0.7 0.500 75.8 97.2 -83.6 -5.6 20.7 112.0 -1.9 182 211 A I E < -d 79 0A 2 -3,-1.0 -102,-0.2 -4,-0.3 3,-0.2 -0.768 58.6-166.4 -78.1 120.1 19.5 114.2 -4.8 183 212 A E E S- 0 0 0 -104,-2.9 123,-0.3 -2,-0.7 2,-0.3 0.832 70.8 -10.6 -77.5 -32.4 22.5 114.3 -7.2 184 213 A V E -d 80 0A 0 -105,-0.7 -103,-2.0 -3,-0.1 2,-0.6 -0.923 57.6-138.0-163.6 137.1 21.0 117.2 -9.2 185 214 A L E -de 81 255A 0 69,-2.7 71,-2.2 -2,-0.3 2,-0.7 -0.948 19.3-162.3 -96.9 117.9 17.6 118.9 -9.4 186 215 A V E -de 82 256A 0 -105,-2.9 -103,-2.8 -2,-0.6 2,-0.5 -0.926 11.7-167.2-102.7 107.0 16.8 119.5 -13.1 187 216 A L E -de 83 257A 1 69,-2.0 71,-2.2 -2,-0.7 2,-0.4 -0.899 6.1-158.5-107.0 125.6 14.1 122.1 -13.2 188 217 A L E + e 0 258A 0 -105,-3.0 -103,-0.4 -2,-0.5 2,-0.3 -0.840 22.3 157.0-106.0 132.3 12.1 122.9 -16.3 189 218 A D E + e 0 259A 7 69,-2.2 71,-0.9 -2,-0.4 -87,-0.2 -0.986 52.5 16.4-155.7 143.9 10.4 126.2 -16.7 190 219 A L S S+ 0 0 3 -89,-0.8 70,-0.5 -2,-0.3 2,-0.4 0.938 76.4 149.6 60.8 56.2 9.1 128.4 -19.6 191 220 A I + 0 0 2 -90,-1.4 -86,-0.3 -91,-0.1 -1,-0.2 -0.944 35.2 66.6-122.3 137.9 9.2 125.8 -22.3 192 221 A G + 0 0 1 1,-0.5 86,-3.5 -2,-0.4 90,-0.3 0.089 69.1 107.6 140.7 -24.4 6.8 125.8 -25.2 193 222 A A S S- 0 0 21 84,-0.2 -1,-0.5 -3,-0.2 2,-0.2 -0.301 78.2 -80.9 -83.5 166.4 7.6 128.9 -27.3 194 223 A R S S- 0 0 166 82,-0.3 -1,-0.1 1,-0.2 85,-0.0 -0.453 102.5 -4.6 -69.8 132.9 9.3 129.0 -30.6 195 224 A N S S- 0 0 58 -2,-0.2 -1,-0.2 1,-0.1 35,-0.1 0.878 80.2-166.4 56.0 55.5 13.1 128.7 -30.7 196 225 A P - 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