==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-OCT-07 2RIS . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR R.E.STENKAMP,I.LE TRONG . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 1 0 1 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 7 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 3 A N 0 0 211 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.8 -32.5 -41.4 -30.0 2 4 A I + 0 0 48 1,-0.3 2,-0.4 183,-0.0 183,-0.3 0.650 360.0 56.2-118.8 -49.1 -29.5 -39.1 -29.6 3 5 A F S S- 0 0 36 181,-0.1 -1,-0.3 1,-0.0 183,-0.2 -0.728 75.5-129.7 -99.7 135.8 -30.7 -35.9 -27.9 4 6 A T - 0 0 26 181,-3.1 183,-0.2 -2,-0.4 5,-0.0 -0.601 36.4-102.1 -76.8 135.8 -32.4 -35.8 -24.5 5 7 A P >> - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.314 33.5-116.4 -58.7 144.5 -35.6 -33.8 -24.4 6 8 A I H 3> S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.859 110.4 53.4 -56.0 -42.9 -35.0 -30.4 -22.8 7 9 A E H 3> S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 111.8 45.9 -63.9 -36.9 -37.3 -30.8 -19.8 8 10 A E H <> S+ 0 0 119 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.902 112.7 51.4 -67.8 -40.3 -35.5 -34.1 -18.8 9 11 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.902 106.7 53.9 -62.0 -42.7 -32.2 -32.4 -19.4 10 12 A L H X S+ 0 0 14 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.877 106.5 51.7 -61.8 -38.0 -33.1 -29.5 -17.1 11 13 A E H X S+ 0 0 111 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.922 110.7 48.2 -64.4 -42.2 -34.0 -31.8 -14.3 12 14 A A H <>S+ 0 0 5 -4,-1.9 5,-2.3 2,-0.2 3,-0.3 0.936 113.6 47.3 -59.2 -48.1 -30.6 -33.5 -14.7 13 15 A Y H ><5S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 23,-0.4 0.906 108.4 54.2 -60.7 -45.0 -28.9 -30.1 -14.7 14 16 A K H 3<5S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.9 55.3 -56.0 -33.5 -30.9 -29.0 -11.7 15 17 A N T 3<5S- 0 0 132 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.207 126.9 -98.7 -88.8 11.9 -29.6 -32.1 -9.9 16 18 A G T < 5S+ 0 0 3 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.656 76.4 140.3 80.7 17.5 -26.0 -31.2 -10.5 17 19 A E < - 0 0 69 -5,-2.3 19,-0.4 -6,-0.1 -1,-0.3 -0.578 51.4-117.3 -82.4 153.1 -25.3 -33.4 -13.6 18 20 A F - 0 0 14 -2,-0.2 166,-0.5 17,-0.1 2,-0.4 -0.512 22.0-150.9 -72.7 155.1 -23.3 -32.3 -16.6 19 21 A L E -Ab 34 184A 0 15,-2.3 15,-2.6 -2,-0.2 2,-0.6 -0.965 13.4-131.7-118.8 146.6 -24.9 -32.0 -19.9 20 22 A I E -Ab 33 185A 0 164,-2.7 166,-2.7 -2,-0.4 2,-0.5 -0.894 31.1-159.1 -91.8 124.9 -23.0 -32.6 -23.2 21 23 A V E -Ab 32 186A 0 11,-2.8 11,-1.9 -2,-0.6 2,-0.3 -0.937 15.0-179.9-120.3 122.9 -23.9 -29.6 -25.4 22 24 A M E - b 0 187A 0 164,-2.1 166,-2.6 -2,-0.5 167,-0.1 -0.727 36.0-120.0-108.4 162.9 -23.7 -29.4 -29.2 23 25 A D S S- 0 0 75 -2,-0.3 166,-1.9 7,-0.2 2,-0.2 0.939 84.7 -36.3 -67.1 -49.4 -24.6 -26.5 -31.5 24 26 A D S S- 0 0 70 164,-0.2 -1,-0.1 2,-0.2 164,-0.1 -0.709 83.5 -63.5-152.3-156.8 -27.2 -28.4 -33.4 25 27 A E S S+ 0 0 137 -2,-0.2 162,-0.0 162,-0.1 -22,-0.0 0.523 82.1 129.4 -82.0 -4.0 -27.7 -32.0 -34.7 26 28 A D > - 0 0 82 1,-0.1 3,-1.3 2,-0.1 145,-0.2 -0.218 58.7-138.9 -61.9 137.0 -24.7 -32.0 -37.1 27 29 A R T 3 S+ 0 0 122 1,-0.2 144,-1.4 143,-0.1 145,-0.5 0.739 100.2 59.6 -63.8 -23.9 -22.3 -34.9 -36.7 28 30 A E T 3 S+ 0 0 137 142,-0.2 -1,-0.2 143,-0.1 -2,-0.1 0.537 78.9 114.6 -87.0 -6.0 -19.3 -32.7 -37.1 29 31 A N < - 0 0 24 -3,-1.3 142,-0.7 141,-0.1 2,-0.3 -0.340 63.2-132.0 -62.0 145.4 -20.1 -30.5 -34.0 30 32 A E B -H 170 0B 86 140,-0.2 2,-0.3 141,-0.1 -7,-0.2 -0.799 23.2-127.5 -98.4 144.1 -17.7 -30.7 -31.1 31 33 A G - 0 0 2 138,-2.3 129,-2.4 -2,-0.3 2,-0.4 -0.695 16.2-160.9-103.4 142.2 -19.2 -31.2 -27.6 32 34 A D E -AC 21 159A 16 -11,-1.9 -11,-2.8 -2,-0.3 2,-0.5 -0.907 19.7-128.5-112.2 143.6 -18.8 -29.2 -24.4 33 35 A L E -AC 20 158A 0 125,-2.7 125,-1.6 -2,-0.4 2,-0.4 -0.788 33.6-179.3 -83.1 131.4 -19.5 -30.4 -20.9 34 36 A I E +AC 19 157A 0 -15,-2.6 -15,-2.3 -2,-0.5 2,-0.3 -0.999 8.4 159.2-131.5 135.4 -21.7 -27.8 -19.1 35 37 A M E - C 0 156A 0 121,-2.0 121,-2.0 -2,-0.4 2,-0.2 -0.944 49.4 -74.0-143.0 171.4 -23.1 -27.8 -15.5 36 38 A A E >> - C 0 155A 0 -19,-0.4 3,-1.3 -23,-0.4 4,-0.6 -0.452 36.0-140.1 -66.3 129.7 -24.4 -25.4 -13.0 37 39 A A G >4 S+ 0 0 0 117,-1.6 3,-1.0 1,-0.2 118,-0.2 0.890 99.9 55.2 -56.7 -41.4 -21.7 -23.2 -11.5 38 40 A E G 34 S+ 0 0 60 116,-0.4 -1,-0.2 1,-0.2 66,-0.1 0.633 108.8 48.8 -69.9 -12.8 -23.1 -23.4 -8.0 39 41 A L G <4 S+ 0 0 52 -3,-1.3 2,-0.5 -22,-0.1 -1,-0.2 0.448 76.4 118.9-108.7 -5.2 -23.2 -27.2 -8.0 40 42 A I << - 0 0 0 -3,-1.0 64,-0.2 -4,-0.6 2,-0.1 -0.544 44.5-166.3 -74.2 118.2 -19.7 -28.0 -9.1 41 43 A T > - 0 0 51 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.420 38.2 -98.9 -91.9 169.2 -17.8 -30.0 -6.5 42 44 A Q H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.925 126.9 48.1 -48.3 -48.8 -14.1 -30.8 -6.2 43 45 A E H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 111.1 48.5 -65.2 -42.6 -14.9 -34.3 -7.7 44 46 A K H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.853 112.4 49.2 -69.1 -34.3 -17.0 -32.9 -10.6 45 47 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.892 109.0 53.0 -67.5 -41.6 -14.2 -30.3 -11.4 46 48 A A H X S+ 0 0 40 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.921 111.3 47.0 -56.7 -44.1 -11.7 -33.1 -11.4 47 49 A F H X S+ 0 0 48 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.941 111.3 50.6 -63.4 -49.6 -13.9 -35.0 -13.9 48 50 A L H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 6,-0.3 0.927 114.6 43.4 -53.9 -50.1 -14.3 -31.9 -16.1 49 51 A V H >< S+ 0 0 45 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.912 109.2 58.1 -64.7 -42.3 -10.6 -31.3 -16.2 50 52 A R H 3< S+ 0 0 125 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.856 117.0 31.7 -55.1 -39.6 -9.8 -34.9 -16.7 51 53 A Y T 3< S+ 0 0 46 -4,-1.8 110,-2.2 -3,-0.2 -1,-0.2 0.257 115.8 61.7-108.3 10.9 -11.8 -35.2 -19.9 52 54 A S B < S-I 160 0C 10 -3,-1.1 108,-0.2 -4,-0.4 4,-0.1 -0.660 95.2 -90.4-128.7-178.9 -11.5 -31.7 -21.3 53 55 A S - 0 0 51 106,-1.5 -4,-0.1 -2,-0.2 107,-0.1 0.665 56.0-131.6 -62.8 -20.5 -9.1 -29.1 -22.6 54 56 A G S S+ 0 0 17 -6,-0.3 2,-2.0 105,-0.2 -1,-0.1 0.353 73.4 123.4 80.0 -5.9 -8.8 -27.9 -19.0 55 57 A Y - 0 0 119 104,-0.1 2,-0.4 -6,-0.1 -1,-0.2 -0.566 53.1-165.6 -83.4 75.3 -9.3 -24.3 -20.1 56 58 A V - 0 0 0 -2,-2.0 67,-1.6 65,-0.2 2,-0.3 -0.536 7.9-170.3 -81.8 124.6 -12.3 -24.1 -17.7 57 59 A C E -dE 123 157A 8 100,-2.1 100,-2.7 -2,-0.4 -3,-0.0 -0.787 16.7-149.0-115.1 152.6 -14.6 -21.2 -18.2 58 60 A V E -d 124 0A 0 65,-2.3 67,-1.9 -2,-0.3 98,-0.2 -0.845 14.3-149.8-127.0 90.3 -17.5 -19.8 -16.1 59 61 A P E +d 125 0A 0 0, 0.0 96,-2.6 0, 0.0 2,-0.3 -0.428 24.6 170.1 -55.5 129.4 -20.3 -18.1 -18.1 60 62 A L E -dF 126 154A 0 65,-2.9 67,-3.3 94,-0.2 94,-0.2 -0.934 39.7 -96.7-133.9 156.0 -22.0 -15.4 -16.0 61 63 A S E > -d 127 0A 25 92,-1.1 4,-2.6 -2,-0.3 5,-0.2 -0.403 35.1-115.6 -64.9 152.8 -24.6 -12.8 -17.1 62 64 A E H > S+ 0 0 69 65,-1.6 4,-2.5 1,-0.2 5,-0.2 0.890 118.6 56.5 -52.6 -39.8 -23.1 -9.4 -18.0 63 65 A E H > S+ 0 0 165 2,-0.2 4,-2.1 64,-0.2 -1,-0.2 0.921 109.2 43.8 -59.9 -46.6 -25.1 -8.0 -15.0 64 66 A R H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 112.4 51.4 -66.6 -45.4 -23.5 -10.5 -12.6 65 67 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.910 110.4 51.2 -58.3 -41.7 -19.9 -10.0 -14.0 66 68 A N H ><5S+ 0 0 97 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.920 108.1 51.1 -58.7 -46.8 -20.5 -6.2 -13.5 67 69 A Q H 3<5S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.3 47.2 -58.4 -37.6 -21.6 -6.7 -9.9 68 70 A L T 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.414 113.5-118.6 -87.1 3.6 -18.4 -8.7 -9.3 69 71 A E T < 5 + 0 0 119 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.941 62.7 147.7 54.9 52.2 -16.2 -6.2 -11.0 70 72 A L < - 0 0 0 -5,-2.4 -1,-0.2 -6,-0.1 3,-0.1 -0.777 27.9-170.9-114.3 82.5 -15.0 -8.6 -13.6 71 73 A P - 0 0 69 0, 0.0 11,-2.1 0, 0.0 4,-0.0 -0.292 37.9 -77.8 -74.5 159.6 -14.5 -6.4 -16.7 72 74 A P B -J 81 0D 70 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.227 42.0-122.7 -50.7 142.8 -13.8 -7.7 -20.2 73 75 A M S S+ 0 0 106 7,-2.8 2,-0.3 1,-0.2 8,-0.1 0.880 96.0 22.0 -61.4 -38.8 -10.2 -8.8 -20.4 74 76 A L 0 0 147 6,-0.4 -1,-0.2 1,-0.1 6,-0.0 -0.963 360.0 360.0-110.9 175.2 -9.6 -6.4 -23.3 75 77 A A 0 0 135 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.626 360.0 360.0-146.1 360.0 -11.6 -3.2 -24.4 76 ! 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 77 84 A G 0 0 97 0, 0.0 2,-0.2 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 144.7 -16.2 -14.0 -30.2 78 85 A T - 0 0 68 1,-0.1 2,-1.6 47,-0.0 47,-0.0 -0.392 360.0-138.4 -67.9 124.8 -15.8 -15.3 -26.6 79 86 A A - 0 0 41 47,-0.2 47,-2.3 -2,-0.2 2,-0.1 -0.531 27.8-176.2 -91.1 75.0 -16.3 -12.6 -24.0 80 87 A Y B -G 125 0A 75 -2,-1.6 -7,-2.8 45,-0.2 -6,-0.4 -0.450 8.6-157.8 -70.6 140.9 -13.5 -13.3 -21.5 81 88 A T B -J 72 0D 0 43,-2.3 3,-0.1 -9,-0.3 -8,-0.1 -0.567 44.9 -68.4 -99.4 172.7 -13.2 -11.2 -18.3 82 89 A I - 0 0 55 -11,-2.1 -1,-0.2 -2,-0.2 -9,-0.1 -0.381 65.9-109.0 -53.1 141.0 -10.1 -10.8 -16.3 83 90 A T - 0 0 23 37,-0.1 2,-0.3 40,-0.1 40,-0.2 -0.298 43.3-173.8 -75.3 164.5 -9.4 -14.2 -14.7 84 91 A C E -K 122 0E 0 38,-1.9 38,-1.7 35,-0.3 37,-0.5 -0.995 26.0-152.4-157.5 158.7 -9.9 -14.8 -10.9 85 92 A D E -K 117 0E 13 32,-2.3 32,-3.5 -2,-0.3 2,-0.4 -0.988 34.4-115.6-127.9 141.7 -9.6 -17.0 -7.9 86 93 A F E -K 116 0E 31 -2,-0.3 30,-0.2 12,-0.3 4,-0.2 -0.655 30.1-145.8 -71.5 128.9 -11.8 -16.8 -4.8 87 94 A A S > S+ 0 0 42 28,-2.9 3,-1.4 -2,-0.4 2,-0.6 0.951 72.9 71.4 -69.2 -52.9 -9.4 -15.8 -2.0 88 95 A E T 3 S+ 0 0 163 27,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.537 110.5 10.0 -77.9 116.1 -10.7 -17.6 1.1 89 96 A G T 3 S+ 0 0 51 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.410 104.1 104.1 99.9 0.1 -10.0 -21.3 1.0 90 97 A T < + 0 0 23 -3,-1.4 -1,-0.4 -4,-0.2 -5,-0.0 -0.823 33.6 168.5-107.6 155.5 -7.8 -21.4 -2.0 91 98 A T S S+ 0 0 128 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.519 83.1 12.7-119.8 -79.2 -4.0 -21.8 -2.2 92 99 A T S S- 0 0 78 1,-0.1 -2,-0.1 29,-0.0 0, 0.0 0.695 84.1-144.6 -76.7 -21.4 -2.7 -22.5 -5.7 93 100 A G S S+ 0 0 0 1,-0.1 9,-0.1 -7,-0.1 28,-0.1 0.036 85.7 76.8 81.5 -27.8 -6.0 -21.6 -7.4 94 101 A I + 0 0 80 4,-0.1 -1,-0.1 5,-0.1 26,-0.0 0.654 65.7 106.0 -94.0 -18.4 -5.5 -24.3 -10.0 95 102 A S S > S- 0 0 41 1,-0.1 4,-3.1 4,-0.1 5,-0.3 -0.181 83.3-114.0 -57.1 154.3 -6.4 -27.4 -8.0 96 103 A A H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 119.9 52.6 -53.9 -43.2 -9.7 -29.0 -8.7 97 104 A H H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 112.8 43.0 -56.8 -49.5 -10.8 -28.0 -5.2 98 105 A D H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 -12,-0.3 0.926 113.9 48.7 -68.9 -46.4 -9.8 -24.4 -5.8 99 106 A R H X S+ 0 0 24 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.892 113.6 48.6 -61.1 -38.6 -11.3 -24.1 -9.3 100 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.939 111.8 49.1 -64.1 -45.3 -14.5 -25.6 -8.0 101 108 A L H X S+ 0 0 26 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.910 112.3 47.9 -62.4 -43.5 -14.7 -23.3 -5.0 102 109 A T H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.934 111.9 50.3 -61.8 -44.8 -14.0 -20.2 -7.2 103 110 A T H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.932 111.9 45.9 -59.8 -48.6 -16.7 -21.4 -9.7 104 111 A R H X S+ 0 0 78 -4,-2.8 4,-1.7 -64,-0.2 3,-0.4 0.901 111.8 54.2 -60.4 -39.8 -19.3 -21.9 -6.9 105 112 A S H < S+ 0 0 10 -4,-2.3 6,-0.3 1,-0.2 -1,-0.2 0.839 101.9 56.3 -65.7 -34.6 -18.3 -18.5 -5.5 106 113 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.8 44.8 -65.7 -30.3 -18.9 -16.8 -8.8 107 114 A A H < S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.789 88.5 102.5 -79.8 -31.2 -22.5 -18.2 -8.7 108 115 A N >< - 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