==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-SEP-06 2ICY . COMPND 2 MOLECULE: PROBABLE UTP-GLUCOSE-1-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.G.MCCOY,G.E.WESENBERG,G.N.PHILLIPS JR.,E.BITTO, . 919 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 85 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 1 3 2 8 2 3 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 6 3 4 0 1 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 . 7 7 1 5 2 1 1 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 . 6 5 4 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 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 T 0 0 77 0, 0.0 163,-0.1 0, 0.0 162,-0.1 0.000 360.0 360.0 360.0 178.8 28.3 -27.2 52.4 2 6 A E + 0 0 141 161,-0.1 2,-1.5 31,-0.1 162,-0.1 0.161 360.0 133.1-144.7 29.0 29.8 -30.2 50.6 3 7 A N > + 0 0 74 1,-0.2 4,-1.3 161,-0.1 -1,-0.0 -0.640 27.9 173.8 -85.1 92.7 29.0 -33.7 52.0 4 8 A L H > S+ 0 0 50 -2,-1.5 4,-2.9 2,-0.2 5,-0.2 0.899 71.8 48.7 -67.7 -49.4 27.9 -35.5 48.8 5 9 A P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.861 113.1 53.6 -60.4 -30.3 27.4 -39.1 49.8 6 10 A Q H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.854 109.3 48.3 -66.9 -39.6 25.3 -37.7 52.6 7 11 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.916 109.0 51.3 -71.1 -40.7 23.3 -35.7 50.0 8 12 A K H X S+ 0 0 87 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.942 107.4 55.4 -61.2 -42.9 22.8 -38.7 47.8 9 13 A S H X S+ 0 0 80 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.932 110.2 43.7 -53.3 -52.6 21.6 -40.7 50.9 10 14 A A H X S+ 0 0 26 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.929 110.4 55.7 -61.3 -46.7 18.9 -38.1 51.7 11 15 A V H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 6,-0.2 0.938 109.0 46.8 -50.8 -48.2 17.8 -37.7 48.0 12 16 A D H 3< S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.817 103.7 64.6 -67.0 -25.2 17.2 -41.5 47.8 13 17 A G H 3< S+ 0 0 53 -4,-1.4 2,-1.5 -5,-0.3 -1,-0.3 0.831 83.4 85.0 -65.7 -23.1 15.4 -41.0 51.1 14 18 A L X< - 0 0 16 -3,-1.5 3,-2.0 -4,-1.1 -1,-0.2 -0.588 64.0-171.8 -86.8 89.0 12.9 -38.8 49.1 15 19 A T T 3 S+ 0 0 115 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.684 74.5 64.6 -49.8 -32.5 10.5 -41.5 47.7 16 20 A E T 3 S+ 0 0 163 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 0.682 79.3 94.0 -75.1 -14.1 8.5 -39.2 45.4 17 21 A M S < S- 0 0 4 -3,-2.0 139,-0.1 -6,-0.2 5,-0.0 -0.670 79.2-129.2 -79.0 123.4 11.5 -38.5 43.2 18 22 A S > - 0 0 52 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.197 26.8-104.6 -61.4 164.6 11.5 -41.0 40.3 19 23 A E H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 121.5 51.2 -59.9 -41.3 14.8 -42.8 39.7 20 24 A S H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 110.9 49.4 -67.6 -31.8 15.7 -40.8 36.7 21 25 A E H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 107.8 52.3 -72.3 -45.7 15.1 -37.6 38.7 22 26 A K H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.899 113.2 47.4 -54.6 -41.7 17.2 -38.7 41.6 23 27 A S H X S+ 0 0 75 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 111.9 46.2 -64.5 -50.3 20.0 -39.4 39.1 24 28 A G H X S+ 0 0 20 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.870 113.3 50.9 -64.4 -36.2 19.8 -36.2 37.2 25 29 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.950 109.0 49.3 -67.3 -48.5 19.7 -34.2 40.4 26 30 A I H X S+ 0 0 24 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.871 109.1 54.6 -59.3 -33.9 22.8 -36.0 41.9 27 31 A S H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.907 109.3 46.9 -66.8 -39.2 24.7 -35.3 38.6 28 32 A L H X S+ 0 0 24 -4,-1.9 4,-1.8 -3,-0.2 -2,-0.2 0.937 114.0 47.0 -64.9 -47.8 23.9 -31.6 38.9 29 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.2 0.944 110.9 53.2 -59.5 -48.4 24.9 -31.5 42.5 30 34 A S H < S+ 0 0 46 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.922 110.9 45.0 -50.6 -54.4 28.1 -33.4 41.8 31 35 A R H < S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.785 110.3 55.4 -65.1 -26.8 29.1 -31.0 39.1 32 36 A Y H < 0 0 88 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.916 360.0 360.0 -70.8 -40.2 28.3 -28.1 41.3 33 37 A L < 0 0 81 -4,-2.5 -3,-0.1 -5,-0.1 -31,-0.1 0.486 360.0 360.0 -95.3 360.0 30.6 -29.5 44.0 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 44 A I 0 0 73 0, 0.0 2,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 71.1 36.3 -17.9 33.3 36 45 A E >> - 0 0 118 1,-0.2 3,-1.1 2,-0.1 4,-0.6 -0.346 360.0-170.4 -59.0 86.3 39.6 -16.4 32.2 37 46 A W G >4 S+ 0 0 38 -2,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.782 82.0 74.3 -50.6 -26.7 38.1 -13.0 31.2 38 47 A S G 34 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.074 101.7 41.6 -76.0 25.8 41.5 -12.5 29.7 39 48 A K G <4 S+ 0 0 76 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.422 76.6 128.9-145.2 -17.9 40.4 -14.9 27.0 40 49 A I << - 0 0 20 -3,-0.7 2,-0.3 -4,-0.6 214,-0.2 -0.209 37.4-174.9 -51.4 133.3 36.8 -14.0 26.1 41 50 A Q B -A 253 0A 111 212,-2.4 212,-2.4 0, 0.0 -1,-0.1 -0.836 27.8-112.6-128.6 165.7 36.4 -13.5 22.4 42 51 A T - 0 0 116 -2,-0.3 210,-0.1 210,-0.2 238,-0.0 -0.833 40.5-112.5 -98.1 135.8 33.7 -12.4 19.9 43 52 A P - 0 0 15 0, 0.0 210,-0.1 0, 0.0 208,-0.0 -0.341 31.6-114.8 -65.8 145.6 32.4 -15.2 17.6 44 53 A T >> - 0 0 72 1,-0.1 4,-2.0 5,-0.0 3,-0.8 -0.298 26.4-108.0 -71.1 167.2 33.2 -14.9 13.8 45 54 A D T 34 S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.655 117.7 65.3 -71.4 -14.3 30.4 -14.3 11.2 46 55 A E T 34 S+ 0 0 148 1,-0.2 -1,-0.2 3,-0.1 3,-0.2 0.787 109.0 37.1 -76.1 -28.5 31.0 -17.9 10.1 47 56 A I T <4 S+ 0 0 59 -3,-0.8 292,-1.1 1,-0.3 2,-0.7 0.814 123.6 42.4 -90.5 -37.4 29.8 -19.2 13.4 48 57 A V E < S-c 339 0B 15 -4,-2.0 -1,-0.3 290,-0.3 292,-0.2 -0.898 88.9-156.5-112.7 97.3 27.1 -16.6 13.9 49 58 A V E -c 340 0B 19 290,-1.1 292,-0.5 -2,-0.7 2,-0.2 -0.542 16.6-119.1 -77.7 131.3 25.5 -16.3 10.5 50 59 A P E > -c 341 0B 26 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.476 18.6-138.0 -69.6 132.3 23.6 -13.2 9.4 51 60 A Y G > S+ 0 0 64 290,-0.8 3,-1.8 1,-0.3 291,-0.1 0.863 100.2 63.1 -56.4 -36.0 20.0 -14.2 8.6 52 61 A E G 3 S+ 0 0 173 1,-0.3 -1,-0.3 3,-0.0 290,-0.0 0.638 97.1 59.2 -63.7 -19.7 19.9 -12.0 5.5 53 62 A K G < S+ 0 0 158 -3,-1.6 -1,-0.3 2,-0.1 2,-0.3 0.519 84.5 102.0 -86.7 -5.9 22.6 -14.2 3.9 54 63 A M S < S- 0 0 12 -3,-1.8 169,-0.1 -4,-0.4 168,-0.1 -0.594 76.8-115.7 -83.4 144.9 20.5 -17.4 4.1 55 64 A T - 0 0 81 -2,-0.3 -1,-0.1 167,-0.1 -2,-0.1 -0.591 27.2-134.9 -79.4 124.5 18.8 -18.8 1.0 56 65 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 166,-0.1 -0.292 32.4 -88.6 -73.8 160.4 14.9 -18.9 1.2 57 66 A V - 0 0 29 1,-0.1 4,-0.1 2,-0.1 165,-0.0 -0.202 48.4 -97.7 -63.0 161.5 12.9 -22.0 0.0 58 67 A S - 0 0 48 2,-0.2 -1,-0.1 1,-0.1 6,-0.1 -0.088 30.3-106.2 -75.5 175.2 11.8 -22.4 -3.6 59 68 A Q S S+ 0 0 186 4,-0.1 2,-0.8 5,-0.0 -1,-0.1 0.628 94.6 98.9 -75.7 -16.4 8.4 -21.6 -5.0 60 69 A D >> - 0 0 101 1,-0.2 3,-1.8 2,-0.0 4,-0.8 -0.630 68.3-150.2 -75.9 115.4 7.6 -25.3 -5.1 61 70 A V H 3> S+ 0 0 66 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.745 89.4 78.0 -56.7 -25.8 5.5 -26.2 -2.0 62 71 A A H 3> S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.879 92.3 50.0 -48.6 -45.0 7.0 -29.7 -2.1 63 72 A E H <> S+ 0 0 61 -3,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.894 110.8 49.9 -63.3 -40.3 10.3 -28.3 -0.5 64 73 A T H X S+ 0 0 9 -4,-0.8 4,-3.0 2,-0.2 5,-0.3 0.953 111.6 47.9 -63.9 -47.7 8.2 -26.6 2.2 65 74 A K H X S+ 0 0 79 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.928 109.2 53.5 -61.4 -41.8 6.2 -29.8 3.0 66 75 A N H < S+ 0 0 89 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.895 112.8 43.2 -61.7 -37.1 9.4 -31.9 3.1 67 76 A L H >< S+ 0 0 20 -4,-1.9 3,-1.7 1,-0.2 4,-0.3 0.930 114.5 49.1 -72.4 -48.0 11.0 -29.5 5.7 68 77 A L H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.823 100.3 66.1 -61.5 -29.0 7.8 -29.1 7.8 69 78 A D T 3< S+ 0 0 80 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.679 102.7 48.8 -66.9 -14.7 7.3 -32.9 7.9 70 79 A K T < S+ 0 0 66 -3,-1.7 135,-4.2 -4,-0.3 136,-1.2 0.394 95.5 99.8-105.2 2.7 10.5 -33.1 9.9 71 80 A L E < -d 206 0B 1 -3,-1.4 2,-0.4 133,-0.3 136,-0.1 -0.673 42.6-177.5-101.8 145.7 9.6 -30.5 12.4 72 81 A V E -d 207 0B 4 134,-1.9 136,-1.0 -2,-0.3 2,-0.4 -0.987 19.5-147.4-128.4 136.2 8.3 -30.5 16.0 73 82 A V E -de 208 122B 0 48,-2.5 50,-2.7 -2,-0.4 2,-0.4 -0.921 17.6-174.9-105.5 137.0 7.6 -27.2 17.7 74 83 A L E -de 209 123B 0 134,-1.9 136,-0.7 -2,-0.4 2,-0.3 -0.990 6.6-160.5-134.9 140.3 8.2 -26.9 21.5 75 84 A K E -de 210 124B 6 48,-2.4 50,-2.2 -2,-0.4 2,-0.7 -0.890 22.8-119.0-118.7 154.7 7.5 -24.1 24.0 76 85 A L E +de 211 125B 19 134,-2.5 136,-1.3 -2,-0.3 3,-0.2 -0.810 42.5 157.0 -93.9 112.1 8.8 -23.2 27.7 77 86 A N E + e 0 126B 1 48,-2.5 50,-0.6 -2,-0.7 -1,-0.1 -0.059 29.7 112.9-130.7 31.9 5.8 -23.2 30.0 78 87 A G + 0 0 20 48,-0.3 51,-0.2 47,-0.1 2,-0.2 0.571 60.0 90.6 -86.0 -6.9 7.0 -23.8 33.5 79 88 A G - 0 0 41 -3,-0.2 11,-2.6 51,-0.1 12,-0.4 -0.549 63.0-133.6-100.8 155.8 6.2 -20.4 34.8 80 89 A L B -J 89 0C 56 9,-0.3 3,-0.4 -2,-0.2 4,-0.1 -0.474 21.8-120.7 -98.4 168.6 3.3 -18.7 36.5 81 90 A G S > >S+ 0 0 1 7,-2.5 5,-2.2 5,-0.2 3,-1.0 0.294 77.8 113.5 -88.5 10.1 1.5 -15.4 36.1 82 91 A T G > 5 + 0 0 97 1,-0.3 3,-2.1 3,-0.2 -1,-0.2 0.839 67.1 59.9 -49.9 -44.4 2.3 -14.3 39.6 83 92 A T G 3 5S+ 0 0 107 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.883 111.2 43.1 -53.9 -38.7 4.6 -11.4 38.6 84 93 A M G < 5S- 0 0 2 -3,-1.0 310,-1.9 2,-0.2 -1,-0.3 0.003 122.6-104.0 -98.7 28.1 1.7 -9.9 36.8 85 94 A G T < 5S+ 0 0 32 -3,-2.1 2,-0.4 308,-0.2 310,-0.3 0.797 80.5 127.5 57.4 34.0 -0.9 -10.6 39.5 86 95 A C < - 0 0 29 -5,-2.2 -5,-0.2 2,-0.1 -1,-0.2 -0.957 53.2-136.1-125.3 143.6 -2.4 -13.5 37.7 87 96 A T + 0 0 135 -2,-0.4 -3,-0.0 -6,-0.1 0, 0.0 -0.523 69.0 33.5 -87.8 158.4 -3.1 -17.1 38.8 88 97 A G S S- 0 0 13 -2,-0.2 -7,-2.5 41,-0.1 -6,-0.2 -0.198 107.6 -24.7 88.1 175.2 -2.3 -20.0 36.5 89 98 A P B > -J 80 0C 2 0, 0.0 3,-1.5 0, 0.0 -9,-0.3 -0.262 58.2-124.1 -59.1 143.3 0.4 -20.4 33.9 90 99 A K G > S+ 0 0 26 -11,-2.6 3,-1.9 1,-0.3 11,-0.3 0.870 108.5 66.8 -60.7 -30.2 1.8 -17.2 32.5 91 100 A S G 3 S+ 0 0 0 -12,-0.4 11,-2.0 1,-0.3 10,-0.6 0.659 92.3 61.2 -67.7 -10.7 0.9 -18.5 29.0 92 101 A V G < S+ 0 0 36 -3,-1.5 2,-0.3 8,-0.2 -1,-0.3 0.328 75.1 110.7-103.3 14.1 -2.7 -18.3 29.8 93 102 A I S < S- 0 0 9 -3,-1.9 8,-1.2 -7,-0.1 2,-0.5 -0.624 78.4-112.9 -79.1 141.5 -2.8 -14.5 30.4 94 103 A E E +K 100 0D 112 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.631 42.2 169.9 -77.4 125.7 -4.7 -12.7 27.6 95 104 A V E + 0 0 1 4,-2.6 2,-0.4 -2,-0.5 -1,-0.2 0.869 60.4 16.1-103.5 -54.1 -2.3 -10.6 25.6 96 105 A R E > S-K 99 0D 31 3,-1.3 3,-1.8 1,-0.1 -1,-0.3 -0.986 127.6 -14.8-133.3 129.9 -4.1 -9.3 22.6 97 106 A D T 3 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.777 122.4 -57.3 56.0 38.9 -7.8 -9.2 21.8 98 107 A G T 3 S+ 0 0 43 1,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.537 109.5 128.1 73.3 5.7 -8.8 -11.5 24.6 99 108 A L E < -K 96 0D 48 -3,-1.8 -4,-2.6 1,-0.1 -3,-1.3 -0.792 53.2-136.4 -94.6 133.0 -6.4 -14.2 23.1 100 109 A T E > -K 94 0D 14 -2,-0.4 4,-2.4 -6,-0.3 5,-0.2 -0.285 27.3-101.3 -83.7 174.3 -3.9 -15.7 25.4 101 110 A F H > S+ 0 0 3 -8,-1.2 4,-2.1 -10,-0.6 -9,-0.2 0.917 126.7 46.1 -58.4 -41.9 -0.2 -16.4 24.6 102 111 A L H > S+ 0 0 5 -11,-2.0 4,-3.2 2,-0.2 5,-0.2 0.927 108.5 54.5 -67.5 -46.0 -1.1 -20.0 24.0 103 112 A D H > S+ 0 0 16 -12,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.917 111.0 46.5 -54.8 -40.7 -4.1 -19.2 21.9 104 113 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.905 112.6 48.6 -71.7 -39.3 -1.9 -17.1 19.6 105 114 A I H X S+ 0 0 17 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.927 113.1 48.4 -66.0 -40.7 0.8 -19.7 19.4 106 115 A V H X S+ 0 0 7 -4,-3.2 4,-3.1 2,-0.2 -2,-0.2 0.932 110.9 50.2 -62.5 -48.7 -1.9 -22.4 18.6 107 116 A I H X S+ 0 0 43 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.942 109.4 53.2 -53.7 -47.0 -3.5 -20.1 15.9 108 117 A Q H X S+ 0 0 22 -4,-2.5 4,-1.3 261,-0.3 -1,-0.2 0.924 113.3 40.9 -56.7 -45.8 -0.0 -19.6 14.4 109 118 A I H X S+ 0 0 6 -4,-2.0 4,-3.1 2,-0.2 3,-0.3 0.920 111.9 55.7 -73.4 -36.6 0.7 -23.3 14.1 110 119 A E H X S+ 0 0 55 -4,-3.1 4,-4.0 1,-0.2 5,-0.4 0.936 106.5 52.2 -57.2 -42.7 -2.9 -24.0 12.9 111 120 A N H X S+ 0 0 53 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.835 110.4 48.4 -63.3 -30.2 -2.3 -21.5 10.1 112 121 A L H X S+ 0 0 26 -4,-1.3 4,-2.5 -3,-0.3 6,-0.5 0.942 115.7 43.2 -73.2 -48.3 0.8 -23.4 9.2 113 122 A N H X S+ 0 0 1 -4,-3.1 4,-1.6 1,-0.2 5,-0.4 0.893 118.5 42.6 -68.8 -41.5 -1.0 -26.8 9.3 114 123 A N H < S+ 0 0 100 -4,-4.0 -1,-0.2 -5,-0.2 -3,-0.2 0.875 115.8 53.3 -71.0 -34.7 -4.1 -25.6 7.4 115 124 A K H < S+ 0 0 145 -4,-1.4 -2,-0.2 -5,-0.4 -3,-0.2 0.937 124.6 19.5 -65.8 -47.4 -1.8 -23.6 5.0 116 125 A Y H < S- 0 0 60 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.505 98.7-117.4-106.4 0.4 0.5 -26.4 4.0 117 126 A G S < S+ 0 0 64 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.704 71.6 135.7 71.0 19.4 -1.5 -29.5 4.8 118 127 A C - 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