==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-JUN-04 1TKU . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.ECHT,S.BAUER,S.STEINBACHER,R.HUBER,A.BACHER,M.FISCHER . 392 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 1 5 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 14 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 197 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.5 -18.8 17.1 -20.6 2 4 A I + 0 0 45 1,-0.3 2,-0.4 183,-0.0 183,-0.4 0.663 360.0 54.4-122.6 -52.2 -17.4 14.7 -17.9 3 5 A F S S- 0 0 40 181,-0.1 -1,-0.3 1,-0.0 183,-0.2 -0.740 75.5-127.9 -98.0 136.6 -16.2 11.5 -19.6 4 6 A T - 0 0 25 181,-3.4 183,-0.2 -2,-0.4 5,-0.0 -0.571 34.7-101.5 -79.4 138.0 -13.6 11.3 -22.4 5 7 A P >> - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.313 34.5-118.4 -57.7 141.4 -14.6 9.3 -25.5 6 8 A I H 3> S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 109.3 53.1 -53.4 -42.9 -12.9 5.9 -25.4 7 9 A E H 3> S+ 0 0 118 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.859 111.8 45.8 -66.0 -31.7 -10.8 6.3 -28.6 8 10 A E H <> S+ 0 0 114 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.887 112.4 52.3 -74.5 -37.3 -9.3 9.6 -27.3 9 11 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 105.4 55.0 -63.8 -40.0 -8.7 8.0 -23.9 10 12 A L H X S+ 0 0 12 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.869 105.5 51.9 -63.0 -37.0 -6.9 5.1 -25.5 11 13 A E H X S+ 0 0 110 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.890 110.2 48.5 -67.0 -38.3 -4.4 7.4 -27.3 12 14 A A H <>S+ 0 0 5 -4,-1.6 5,-2.4 2,-0.2 -2,-0.2 0.910 113.2 48.1 -65.5 -41.8 -3.7 9.1 -24.0 13 15 A Y H ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 23,-0.4 0.906 109.4 52.3 -63.9 -43.5 -3.2 5.7 -22.4 14 16 A K H 3<5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 105.3 57.7 -62.2 -30.8 -0.9 4.7 -25.2 15 17 A N T 3<5S- 0 0 131 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.184 125.9 -99.9 -87.0 16.7 1.1 7.8 -24.6 16 18 A G T < 5S+ 0 0 3 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.641 76.3 140.1 77.7 15.2 1.8 6.9 -21.0 17 19 A E < - 0 0 74 -5,-2.4 19,-0.4 -6,-0.1 -1,-0.2 -0.545 51.6-117.4 -89.6 158.3 -0.9 9.0 -19.3 18 20 A F - 0 0 14 -2,-0.2 166,-0.5 17,-0.1 2,-0.4 -0.471 22.7-151.8 -83.6 162.4 -3.0 7.9 -16.4 19 21 A L E -A 34 0A 0 15,-1.7 15,-2.4 -2,-0.2 2,-0.6 -0.975 13.5-131.8-133.0 142.4 -6.8 7.7 -16.8 20 22 A I E -Ab 33 185A 0 164,-2.6 166,-2.5 -2,-0.4 2,-0.5 -0.887 30.8-160.6 -95.0 125.2 -9.2 8.2 -13.9 21 23 A V E -Ab 32 186A 1 11,-2.9 11,-1.6 -2,-0.6 2,-0.2 -0.948 14.1-178.7-118.4 127.2 -11.6 5.3 -14.1 22 24 A M E - b 0 187A 0 164,-2.1 166,-2.5 -2,-0.5 167,-0.1 -0.715 36.3-118.8-111.9 165.1 -15.1 5.1 -12.5 23 25 A D S S- 0 0 67 -2,-0.2 166,-1.8 164,-0.2 2,-0.2 0.936 85.1 -37.4 -69.8 -47.9 -17.5 2.1 -12.6 24 26 A D S S- 0 0 69 2,-0.2 164,-0.1 164,-0.2 -1,-0.1 -0.687 83.7 -62.5-152.0-154.5 -20.2 4.1 -14.4 25 27 A E S S+ 0 0 134 -2,-0.2 162,-0.0 162,-0.1 -22,-0.0 0.541 81.9 127.2 -85.8 -4.4 -21.6 7.7 -14.3 26 28 A D > - 0 0 83 1,-0.2 3,-1.4 2,-0.1 145,-0.2 -0.221 59.4-138.9 -56.2 134.9 -22.9 7.6 -10.7 27 29 A R T 3 S+ 0 0 135 1,-0.3 144,-1.2 143,-0.1 145,-0.5 0.698 100.1 61.5 -69.0 -16.9 -21.6 10.6 -8.7 28 30 A E T 3 S+ 0 0 141 142,-0.2 -1,-0.3 143,-0.1 -2,-0.1 0.523 77.7 112.4 -88.2 -4.8 -21.0 8.3 -5.7 29 31 A N < - 0 0 24 -3,-1.4 142,-0.7 -5,-0.1 2,-0.4 -0.364 66.2-128.8 -66.7 148.1 -18.5 6.1 -7.5 30 32 A E B -H 170 0B 61 140,-0.2 140,-0.2 141,-0.1 2,-0.2 -0.811 25.6-123.0 -99.8 139.5 -14.9 6.3 -6.2 31 33 A G - 0 0 1 138,-2.6 129,-2.3 -2,-0.4 2,-0.4 -0.568 18.6-161.0 -91.3 148.7 -12.1 6.9 -8.7 32 34 A D E -AC 21 159A 13 -11,-1.6 -11,-2.9 127,-0.2 2,-0.5 -0.941 17.2-133.0-122.0 141.4 -9.0 4.9 -9.6 33 35 A L E +AC 20 158A 0 125,-2.8 125,-1.4 -2,-0.4 2,-0.4 -0.824 32.6 178.9 -92.2 132.2 -5.9 6.0 -11.4 34 36 A I E +AC 19 157A 0 -15,-2.4 -15,-1.7 -2,-0.5 2,-0.3 -1.000 7.9 157.6-136.7 135.8 -4.9 3.4 -14.1 35 37 A M E - C 0 156A 0 121,-1.8 121,-1.9 -2,-0.4 2,-0.2 -0.952 49.7 -70.8-149.1 167.8 -2.1 3.4 -16.6 36 38 A A E >> - C 0 155A 0 -19,-0.4 3,-1.1 -23,-0.4 4,-0.6 -0.416 35.9-140.9 -64.8 129.8 -0.1 1.0 -18.7 37 39 A A G >4 S+ 0 0 0 117,-1.6 3,-1.0 1,-0.2 118,-0.2 0.895 100.1 53.7 -57.5 -43.0 2.2 -1.2 -16.6 38 40 A E G 34 S+ 0 0 59 116,-0.4 -1,-0.2 1,-0.2 66,-0.1 0.643 109.9 48.9 -69.9 -12.4 5.1 -1.0 -19.1 39 41 A L G <4 S+ 0 0 52 -3,-1.1 2,-0.5 -22,-0.1 -1,-0.2 0.457 76.5 117.5-107.7 -1.3 5.0 2.8 -19.2 40 42 A I << - 0 0 0 -3,-1.0 64,-0.2 -4,-0.6 2,-0.1 -0.551 45.3-166.8 -76.1 122.3 5.1 3.7 -15.5 41 43 A T > - 0 0 49 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.430 38.4 -97.6 -97.6 174.4 8.2 5.6 -14.5 42 44 A Q H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.933 126.5 48.4 -57.8 -45.7 9.7 6.5 -11.1 43 45 A E H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 111.4 48.1 -63.0 -42.1 8.0 9.9 -11.4 44 46 A K H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.822 111.4 50.4 -70.5 -30.4 4.6 8.5 -12.4 45 47 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.867 108.9 52.0 -73.5 -36.3 4.8 5.9 -9.5 46 48 A A H X S+ 0 0 11 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.916 111.1 48.6 -63.5 -41.1 5.6 8.7 -7.1 47 49 A F H X S+ 0 0 49 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.939 111.5 48.8 -62.2 -50.2 2.6 10.6 -8.4 48 50 A L H < S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 6,-0.3 0.928 114.9 43.9 -56.9 -49.3 0.3 7.5 -8.1 49 51 A V H >< S+ 0 0 16 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.925 109.0 58.3 -63.5 -44.7 1.5 6.9 -4.5 50 52 A R H 3< S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 117.2 31.3 -53.9 -39.3 1.2 10.5 -3.5 51 53 A Y T 3< S+ 0 0 41 -4,-1.8 110,-2.1 -3,-0.2 -1,-0.2 0.253 115.6 60.2-108.4 14.1 -2.5 10.8 -4.4 52 54 A S B < S-I 160 0C 2 -3,-1.2 108,-0.2 -4,-0.5 4,-0.1 -0.637 95.7 -88.0-129.6-174.3 -3.7 7.3 -3.7 53 55 A S - 0 0 1 106,-1.4 -4,-0.1 -2,-0.2 107,-0.1 0.672 55.8-129.4 -69.6 -19.0 -4.1 4.7 -0.9 54 56 A G S S+ 0 0 0 -6,-0.3 2,-2.2 105,-0.2 -1,-0.1 0.318 75.3 122.1 86.0 -10.7 -0.6 3.4 -1.8 55 57 A Y - 0 0 1 104,-0.1 2,-0.3 197,-0.1 -1,-0.2 -0.514 52.7-166.8 -83.2 70.3 -1.8 -0.2 -2.0 56 58 A V - 0 0 0 -2,-2.2 67,-1.6 65,-0.2 2,-0.3 -0.476 6.0-169.5 -71.0 122.4 -0.5 -0.3 -5.6 57 59 A C E -dE 123 157A 8 100,-2.1 100,-2.6 -2,-0.3 -3,-0.0 -0.791 16.4-147.9-112.6 153.3 -1.7 -3.2 -7.7 58 60 A V E -d 124 0A 0 65,-2.4 67,-2.2 -2,-0.3 98,-0.2 -0.846 14.3-149.0-124.6 94.6 -0.7 -4.6 -11.1 59 61 A P E +d 125 0A 0 0, 0.0 96,-2.3 0, 0.0 2,-0.3 -0.415 24.8 169.9 -63.2 131.4 -3.5 -6.2 -13.1 60 62 A L E -dF 126 154A 0 65,-2.8 67,-3.3 94,-0.2 94,-0.2 -0.923 39.1 -98.6-136.1 158.7 -2.2 -9.1 -15.3 61 63 A S E > -d 127 0A 26 92,-0.9 4,-2.5 -2,-0.3 5,-0.2 -0.434 35.0-115.5 -74.8 157.3 -4.0 -11.7 -17.4 62 64 A E H > S+ 0 0 51 65,-1.3 4,-2.4 1,-0.2 5,-0.2 0.895 117.6 55.4 -60.3 -37.0 -4.3 -15.1 -15.7 63 65 A E H > S+ 0 0 169 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 109.5 44.9 -62.0 -43.6 -2.2 -16.5 -18.5 64 66 A R H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 112.0 51.6 -68.0 -41.0 0.6 -14.0 -17.9 65 67 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.3 0.891 109.6 51.1 -62.4 -38.6 0.4 -14.5 -14.1 66 68 A N H ><5S+ 0 0 98 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.907 108.3 51.9 -64.3 -41.3 0.7 -18.3 -14.7 67 69 A Q H 3<5S+ 0 0 112 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.859 111.9 46.1 -62.9 -36.1 3.7 -17.7 -16.9 68 70 A L T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.410 113.4-119.2 -88.0 2.7 5.4 -15.7 -14.2 69 71 A E T < 5 + 0 0 116 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.949 61.9 147.9 57.8 52.0 4.5 -18.2 -11.6 70 72 A L < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.1 3,-0.1 -0.783 28.4-169.4-116.8 82.1 2.4 -15.8 -9.5 71 73 A P - 0 0 68 0, 0.0 11,-1.8 0, 0.0 4,-0.0 -0.270 37.8 -75.8 -71.8 158.4 -0.3 -18.0 -8.0 72 74 A P B -J 81 0D 59 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.223 41.8-123.1 -51.7 140.4 -3.4 -16.7 -6.2 73 75 A M S S+ 0 0 17 7,-2.9 2,-0.3 1,-0.2 8,-0.2 0.879 96.6 19.6 -55.4 -37.5 -2.4 -15.5 -2.7 74 76 A L 0 0 80 6,-0.4 -1,-0.2 1,-0.1 197,-0.0 -0.986 360.0 360.0-136.2 145.4 -4.9 -18.0 -1.3 75 77 A A 0 0 136 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.577 360.0 360.0-122.1 360.0 -6.6 -21.0 -2.7 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 98 0, 0.0 60,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 155.2 -13.5 -10.5 -5.3 78 85 A T - 0 0 57 1,-0.1 2,-1.3 239,-0.1 49,-0.1 -0.295 360.0-136.5 -54.1 124.8 -10.1 -8.9 -6.1 79 86 A A - 0 0 39 47,-0.2 47,-2.3 -7,-0.0 -1,-0.1 -0.594 26.7-173.9 -91.2 79.2 -7.8 -11.8 -7.2 80 87 A Y B -G 125 0A 14 -2,-1.3 -7,-2.9 45,-0.2 -6,-0.4 -0.422 7.4-158.1 -73.2 144.7 -4.5 -11.1 -5.5 81 88 A T B -J 72 0D 0 43,-1.9 3,-0.1 -9,-0.3 -11,-0.0 -0.560 45.7 -68.5-108.0 175.8 -1.5 -13.2 -6.3 82 89 A I - 0 0 9 -11,-1.8 -1,-0.2 -2,-0.2 -9,-0.1 -0.427 65.9-107.9 -62.3 145.8 1.5 -13.6 -4.0 83 90 A T - 0 0 0 37,-0.1 2,-0.3 40,-0.1 40,-0.2 -0.251 43.6-175.1 -73.8 166.7 3.3 -10.3 -3.9 84 91 A C E -K 122 0E 0 38,-1.8 38,-1.4 35,-0.3 37,-0.6 -0.994 26.0-150.6-160.8 165.2 6.6 -9.6 -5.6 85 92 A D E -K 117 0E 14 32,-2.0 32,-3.2 -2,-0.3 2,-0.5 -0.988 34.1-115.9-136.6 140.4 9.7 -7.4 -6.4 86 93 A F E -K 116 0E 30 -2,-0.3 30,-0.2 12,-0.3 4,-0.2 -0.698 30.5-146.1 -76.8 127.4 11.8 -7.6 -9.5 87 94 A A S > S+ 0 0 41 28,-2.6 3,-1.3 -2,-0.5 2,-0.5 0.953 73.0 69.9 -63.0 -56.8 15.2 -8.6 -8.1 88 95 A E T 3 S+ 0 0 159 27,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.530 109.6 12.8 -74.8 116.5 17.7 -6.9 -10.4 89 96 A G T 3 S+ 0 0 50 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.376 105.6 99.3 104.8 -3.9 17.8 -3.1 -9.9 90 97 A T < + 0 0 23 -3,-1.3 -1,-0.4 -4,-0.2 -5,-0.0 -0.805 33.2 165.2-115.5 159.3 15.8 -2.9 -6.7 91 98 A T S S+ 0 0 127 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.456 83.2 18.5-129.5 -79.3 16.8 -2.6 -3.0 92 99 A T S S- 0 0 52 1,-0.1 2,-1.1 29,-0.0 -2,-0.1 0.669 83.3-151.0 -74.3 -18.2 14.0 -1.7 -0.6 93 100 A G S S+ 0 0 0 1,-0.2 9,-0.1 -7,-0.1 -1,-0.1 0.000 82.1 75.8 73.5 -33.8 11.4 -2.7 -3.2 94 101 A I + 0 0 4 -2,-1.1 -1,-0.2 4,-0.1 159,-0.1 0.683 68.6 106.4 -83.7 -19.7 8.9 -0.1 -1.8 95 102 A S S > S- 0 0 23 1,-0.1 4,-3.2 4,-0.1 5,-0.3 -0.136 83.8-113.7 -58.7 156.0 10.5 3.0 -3.3 96 103 A A H > S+ 0 0 8 268,-0.5 4,-2.2 1,-0.2 5,-0.2 0.918 119.9 51.9 -56.6 -42.1 8.8 4.7 -6.3 97 104 A H H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 113.7 42.1 -59.2 -48.5 11.8 3.6 -8.4 98 105 A D H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -12,-0.3 0.917 114.3 48.8 -68.6 -45.1 11.6 -0.0 -7.3 99 106 A R H X S+ 0 0 3 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.887 113.4 49.1 -63.9 -34.9 7.8 -0.4 -7.5 100 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.929 111.5 48.5 -68.2 -44.6 7.9 1.2 -11.0 101 108 A L H X S+ 0 0 27 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 111.9 49.2 -61.1 -45.2 10.7 -1.1 -12.1 102 109 A T H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.911 111.4 50.6 -61.2 -41.7 8.8 -4.2 -10.8 103 110 A T H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.930 111.4 45.8 -63.5 -46.8 5.6 -3.0 -12.5 104 111 A R H X S+ 0 0 80 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.890 111.4 54.9 -63.6 -36.6 7.3 -2.5 -15.9 105 112 A S H < S+ 0 0 8 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.854 101.5 56.6 -64.9 -35.6 9.0 -5.9 -15.4 106 113 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.816 111.8 44.0 -66.5 -27.3 5.7 -7.7 -14.9 107 114 A A H < S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.803 88.4 103.1 -84.7 -31.5 4.6 -6.3 -18.3 108 115 A N >< - 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