==== 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 2RIU . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR R.E.STENKAMP,I.LE TRONG . 195 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 14.9 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 . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 1 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 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 0 212 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 19.7 -32.3 -41.4 -30.0 2 4 A I + 0 0 49 1,-0.3 183,-0.4 183,-0.0 2,-0.4 0.645 360.0 57.7-122.1 -50.0 -29.3 -39.1 -29.5 3 5 A F S S- 0 0 37 181,-0.1 -1,-0.3 1,-0.0 183,-0.2 -0.721 74.2-128.8-100.8 135.8 -30.5 -35.9 -27.7 4 6 A T - 0 0 25 181,-3.3 183,-0.2 -2,-0.4 5,-0.0 -0.583 34.8-103.7 -77.5 136.4 -32.3 -35.7 -24.4 5 7 A P >> - 0 0 82 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.332 34.0-117.1 -59.0 144.3 -35.5 -33.6 -24.3 6 8 A I H 3> S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 109.6 54.2 -57.3 -43.7 -34.9 -30.3 -22.7 7 9 A E H 3> S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.864 111.9 45.7 -62.5 -34.2 -37.2 -30.7 -19.6 8 10 A E H <> S+ 0 0 116 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.892 112.2 51.9 -70.9 -40.3 -35.5 -33.9 -18.7 9 11 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.895 105.8 55.1 -60.7 -41.6 -32.1 -32.3 -19.2 10 12 A L H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.874 105.7 51.4 -62.7 -36.7 -33.0 -29.4 -17.0 11 13 A E H X S+ 0 0 111 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.908 110.4 48.6 -66.7 -41.3 -33.8 -31.8 -14.1 12 14 A A H <>S+ 0 0 6 -4,-1.8 5,-2.2 2,-0.2 -2,-0.2 0.926 112.9 48.3 -59.2 -46.4 -30.5 -33.5 -14.5 13 15 A Y H ><5S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 23,-0.4 0.910 108.3 54.0 -61.3 -45.8 -28.8 -30.1 -14.5 14 16 A K H 3<5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.837 105.4 55.2 -55.8 -36.1 -30.8 -29.1 -11.4 15 17 A N T 3<5S- 0 0 133 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.139 126.5 -99.4 -89.7 19.7 -29.5 -32.2 -9.7 16 18 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.671 75.3 141.2 76.1 20.3 -25.8 -31.2 -10.4 17 19 A E < - 0 0 72 -5,-2.2 19,-0.4 -6,-0.1 -1,-0.2 -0.613 50.7-117.8 -86.5 152.3 -25.2 -33.4 -13.4 18 20 A F - 0 0 14 -2,-0.2 166,-0.5 17,-0.1 2,-0.4 -0.488 22.3-150.6 -71.0 155.1 -23.1 -32.3 -16.4 19 21 A L E -A 34 0A 0 15,-2.3 15,-2.5 -2,-0.2 2,-0.6 -0.964 13.9-130.6-119.1 146.8 -24.8 -32.1 -19.8 20 22 A I E -Ab 33 185A 0 164,-2.6 166,-2.7 -2,-0.4 2,-0.5 -0.886 31.5-160.0 -91.1 124.6 -22.8 -32.6 -23.0 21 23 A V E -Ab 32 186A 0 11,-2.8 11,-1.7 -2,-0.6 2,-0.2 -0.945 14.1-179.0-120.5 120.6 -23.8 -29.6 -25.2 22 24 A M E - b 0 187A 0 164,-2.2 166,-2.5 -2,-0.5 167,-0.1 -0.702 35.7-120.2-106.1 162.3 -23.4 -29.5 -29.0 23 25 A D S S- 0 0 69 -2,-0.2 166,-1.7 164,-0.2 2,-0.2 0.940 84.3 -37.6 -66.9 -49.5 -24.3 -26.5 -31.3 24 26 A D S S- 0 0 57 2,-0.2 164,-0.1 164,-0.2 -1,-0.1 -0.677 83.5 -62.0-151.9-152.7 -26.9 -28.5 -33.3 25 27 A E S S+ 0 0 139 -2,-0.2 162,-0.0 162,-0.1 -22,-0.0 0.517 82.2 127.6 -86.4 -3.9 -27.4 -32.0 -34.6 26 28 A D > - 0 0 81 1,-0.1 3,-1.3 2,-0.1 145,-0.2 -0.241 59.1-139.3 -63.0 137.5 -24.3 -32.0 -37.0 27 29 A R T 3 S+ 0 0 123 1,-0.3 144,-1.4 143,-0.1 145,-0.5 0.704 100.6 60.1 -68.0 -19.4 -22.0 -35.0 -36.5 28 30 A E T 3 S+ 0 0 135 142,-0.2 -1,-0.3 143,-0.1 -2,-0.1 0.523 78.8 114.2 -88.5 -6.1 -19.0 -32.7 -36.9 29 31 A N < - 0 0 24 -3,-1.3 142,-0.6 -5,-0.1 2,-0.4 -0.365 63.9-131.7 -63.7 144.5 -19.8 -30.5 -33.9 30 32 A E B -H 170 0B 84 140,-0.2 2,-0.3 141,-0.1 140,-0.2 -0.818 23.9-126.1 -99.8 140.5 -17.5 -30.7 -31.0 31 33 A G - 0 0 1 138,-2.3 129,-2.4 -2,-0.4 2,-0.4 -0.612 16.6-160.7 -97.2 145.6 -18.9 -31.2 -27.5 32 34 A D E -AC 21 159A 15 -11,-1.7 -11,-2.8 -2,-0.3 2,-0.4 -0.938 18.9-131.0-113.3 141.6 -18.6 -29.2 -24.2 33 35 A L E -AC 20 158A 0 125,-2.6 125,-1.6 -2,-0.4 2,-0.4 -0.794 33.5-179.0 -83.2 133.2 -19.3 -30.4 -20.7 34 36 A I E +AC 19 157A 0 -15,-2.5 -15,-2.3 -2,-0.4 2,-0.3 -1.000 8.8 158.9-134.5 134.5 -21.6 -27.8 -18.9 35 37 A M E - C 0 156A 0 121,-2.0 121,-2.0 -2,-0.4 2,-0.2 -0.946 49.1 -73.3-144.7 171.7 -22.9 -27.8 -15.4 36 38 A A E >> - C 0 155A 0 -23,-0.4 3,-1.1 -19,-0.4 4,-0.6 -0.448 35.7-140.4 -67.4 131.0 -24.3 -25.4 -12.9 37 39 A A G >4 S+ 0 0 0 117,-1.6 3,-1.0 1,-0.2 118,-0.2 0.890 100.2 54.5 -58.6 -40.8 -21.6 -23.2 -11.3 38 40 A E G 34 S+ 0 0 60 116,-0.4 -1,-0.2 1,-0.2 66,-0.1 0.672 109.4 48.6 -70.6 -14.0 -23.1 -23.3 -7.8 39 41 A L G <4 S+ 0 0 53 -3,-1.1 2,-0.4 -22,-0.1 -1,-0.2 0.466 77.0 118.8-105.7 -4.0 -23.1 -27.2 -7.8 40 42 A I << - 0 0 0 -3,-1.0 64,-0.2 -4,-0.6 2,-0.2 -0.514 44.1-167.1 -75.5 122.7 -19.6 -28.0 -9.0 41 43 A T > - 0 0 51 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.470 38.5 -98.6 -97.4 171.0 -17.7 -30.0 -6.4 42 44 A Q H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.923 126.3 48.4 -50.5 -47.8 -13.9 -30.9 -6.1 43 45 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 111.2 48.0 -66.2 -40.8 -14.7 -34.3 -7.6 44 46 A K H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.851 112.2 49.8 -70.5 -34.3 -16.8 -32.9 -10.5 45 47 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.887 108.8 52.5 -66.8 -40.4 -14.1 -30.3 -11.3 46 48 A A H X S+ 0 0 40 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.923 111.3 47.8 -59.6 -43.0 -11.5 -33.1 -11.3 47 49 A F H X S+ 0 0 50 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.929 111.5 49.6 -61.4 -49.4 -13.8 -35.0 -13.8 48 50 A L H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 6,-0.3 0.936 114.7 43.7 -56.7 -50.3 -14.2 -31.9 -16.0 49 51 A V H >< S+ 0 0 45 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.926 109.3 58.3 -62.0 -44.2 -10.4 -31.3 -16.1 50 52 A R H 3< S+ 0 0 125 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.837 116.8 31.0 -54.5 -39.1 -9.6 -35.0 -16.6 51 53 A Y T 3< S+ 0 0 43 -4,-1.7 110,-2.3 -3,-0.3 -1,-0.2 0.226 115.7 60.3-110.3 13.7 -11.7 -35.2 -19.8 52 54 A S B < S-I 160 0C 10 -3,-1.2 108,-0.2 -4,-0.4 4,-0.1 -0.677 95.9 -88.4-132.7-179.6 -11.3 -31.7 -21.3 53 55 A S - 0 0 52 106,-1.5 -4,-0.1 -2,-0.2 107,-0.1 0.642 56.2-131.5 -63.7 -18.9 -8.9 -29.1 -22.5 54 56 A G S S+ 0 0 16 -6,-0.3 2,-2.0 105,-0.2 -1,-0.1 0.377 73.2 124.1 78.5 -4.2 -8.6 -27.9 -18.9 55 57 A Y - 0 0 122 104,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.563 53.0-164.7 -83.9 73.1 -9.2 -24.3 -20.0 56 58 A V - 0 0 0 -2,-2.0 67,-1.6 65,-0.2 2,-0.3 -0.487 7.4-168.5 -79.9 124.9 -12.1 -24.1 -17.6 57 59 A C E -dE 123 157A 9 100,-2.2 100,-2.7 -2,-0.3 -1,-0.0 -0.813 16.3-150.3-115.1 150.7 -14.5 -21.2 -18.1 58 60 A V E -d 124 0A 0 65,-2.4 67,-2.0 -2,-0.3 98,-0.2 -0.833 14.5-150.0-124.7 90.0 -17.3 -19.8 -15.9 59 61 A P E +d 125 0A 0 0, 0.0 96,-2.3 0, 0.0 2,-0.3 -0.401 23.9 170.9 -55.8 129.7 -20.2 -18.1 -17.9 60 62 A L E -dF 126 154A 0 65,-3.0 67,-3.5 94,-0.2 94,-0.2 -0.925 38.6 -99.3-132.7 156.4 -21.9 -15.3 -15.9 61 63 A S E > -d 127 0A 25 92,-1.0 4,-2.6 -2,-0.3 5,-0.2 -0.439 35.1-115.1 -67.9 155.1 -24.4 -12.7 -17.0 62 64 A E H > S+ 0 0 67 65,-1.3 4,-2.6 1,-0.2 5,-0.2 0.894 117.6 55.8 -56.5 -39.5 -22.9 -9.3 -17.8 63 65 A E H > S+ 0 0 165 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 109.7 44.3 -61.6 -43.8 -24.9 -7.9 -14.9 64 66 A R H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 112.5 51.0 -68.6 -44.0 -23.3 -10.4 -12.5 65 67 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.3 0.886 110.2 51.4 -59.0 -39.0 -19.8 -9.9 -13.9 66 68 A N H ><5S+ 0 0 99 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.917 108.4 50.9 -61.5 -44.7 -20.4 -6.1 -13.4 67 69 A Q H 3<5S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 112.4 46.6 -58.9 -38.8 -21.4 -6.7 -9.8 68 70 A L T 3<5S- 0 0 2 -4,-2.1 -1,-0.2 44,-0.1 -2,-0.2 0.425 112.7-119.2 -87.2 1.2 -18.3 -8.8 -9.2 69 71 A E T < 5 + 0 0 124 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.950 61.4 148.6 56.2 53.0 -16.0 -6.2 -10.9 70 72 A L < - 0 0 0 -5,-2.5 -1,-0.2 -6,-0.1 3,-0.1 -0.794 28.0-169.0-114.6 84.4 -14.8 -8.6 -13.5 71 73 A P - 0 0 68 0, 0.0 11,-2.0 0, 0.0 4,-0.0 -0.284 36.8 -78.6 -72.9 158.2 -14.2 -6.4 -16.6 72 74 A P B -J 81 0D 68 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.232 39.6-123.5 -50.8 142.7 -13.6 -7.7 -20.1 73 75 A M S S+ 0 0 107 7,-2.9 2,-0.3 1,-0.3 8,-0.1 0.893 97.1 22.6 -60.4 -39.7 -10.0 -8.9 -20.3 74 76 A L 0 0 152 6,-0.4 -1,-0.3 1,-0.1 6,-0.0 -0.988 360.0 360.0-121.0 161.5 -9.6 -6.5 -23.3 75 77 A A 0 0 138 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.749 360.0 360.0-134.7 360.0 -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 0 101 0, 0.0 2,-0.1 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 144.3 -16.0 -13.9 -30.0 78 85 A T - 0 0 65 1,-0.1 2,-1.4 47,-0.0 49,-0.1 -0.350 360.0-134.5 -61.2 129.6 -15.7 -15.4 -26.5 79 86 A A - 0 0 40 47,-0.2 47,-2.2 -2,-0.1 -1,-0.1 -0.559 28.2-174.5 -94.9 73.9 -16.0 -12.7 -23.9 80 87 A Y B -G 125 0A 75 -2,-1.4 -7,-2.9 45,-0.2 -6,-0.4 -0.414 7.2-157.5 -66.7 137.3 -13.3 -13.4 -21.4 81 88 A T B -J 72 0D 0 43,-2.4 3,-0.1 -9,-0.3 -8,-0.1 -0.538 44.9 -68.2 -94.8 173.1 -13.0 -11.3 -18.2 82 89 A I - 0 0 55 -11,-2.0 -1,-0.2 -2,-0.2 -9,-0.1 -0.401 66.2-108.4 -52.1 140.1 -9.9 -10.8 -16.2 83 90 A T - 0 0 25 37,-0.1 2,-0.3 40,-0.1 40,-0.2 -0.275 44.3-174.9 -73.6 164.4 -9.2 -14.2 -14.6 84 91 A C E -K 122 0E 0 38,-1.9 38,-1.6 35,-0.2 37,-0.6 -0.994 26.3-152.1-157.8 159.9 -9.7 -14.8 -10.8 85 92 A D E -K 117 0E 14 32,-2.1 32,-3.3 -2,-0.3 2,-0.4 -0.987 33.9-116.3-128.7 142.9 -9.5 -17.0 -7.7 86 93 A F E -K 116 0E 32 -2,-0.3 30,-0.2 12,-0.3 4,-0.1 -0.691 30.6-146.2 -72.2 128.2 -11.7 -16.8 -4.7 87 94 A A S > S+ 0 0 42 28,-2.8 3,-1.3 -2,-0.4 2,-0.6 0.939 72.2 72.9 -69.0 -50.7 -9.3 -15.8 -2.0 88 95 A E T 3 S+ 0 0 165 27,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.550 109.6 9.7 -79.5 115.8 -10.6 -17.6 1.2 89 96 A G T 3 S+ 0 0 50 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.437 105.0 104.0 100.2 1.8 -10.0 -21.3 1.2 90 97 A T < + 0 0 22 -3,-1.3 -1,-0.4 -4,-0.1 -5,-0.0 -0.823 32.8 165.8-110.5 155.4 -7.7 -21.4 -1.9 91 98 A T S S+ 0 0 130 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.478 82.1 15.9-122.9 -80.6 -3.9 -21.9 -2.1 92 99 A T S S- 0 0 82 1,-0.1 2,-0.7 29,-0.0 -2,-0.1 0.679 83.5-147.9 -72.9 -22.5 -2.6 -22.7 -5.5 93 100 A G S S+ 0 0 0 1,-0.1 9,-0.1 -7,-0.1 -1,-0.1 -0.077 83.8 75.3 81.4 -36.5 -5.8 -21.7 -7.2 94 101 A I + 0 0 81 -2,-0.7 -1,-0.1 4,-0.1 26,-0.0 0.671 68.5 106.4 -83.9 -20.5 -5.4 -24.3 -10.0 95 102 A S S > S- 0 0 40 1,-0.1 4,-3.3 4,-0.1 5,-0.3 -0.154 83.3-113.3 -58.4 155.1 -6.3 -27.4 -7.9 96 103 A A H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 120.1 51.3 -52.1 -45.5 -9.7 -29.1 -8.5 97 104 A H H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 114.0 42.3 -57.4 -49.9 -10.7 -28.0 -5.0 98 105 A D H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 -12,-0.3 0.928 114.3 49.1 -69.1 -46.8 -9.7 -24.4 -5.6 99 106 A R H X S+ 0 0 24 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.900 113.6 48.3 -58.8 -39.9 -11.2 -24.1 -9.1 100 107 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.932 111.9 48.9 -64.5 -45.2 -14.4 -25.6 -7.9 101 108 A L H X S+ 0 0 27 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 112.0 48.4 -62.3 -45.8 -14.5 -23.3 -4.9 102 109 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.930 112.1 50.2 -58.7 -45.9 -13.9 -20.2 -7.1 103 110 A T H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.933 112.0 45.8 -60.4 -47.9 -16.6 -21.4 -9.5 104 111 A R H X S+ 0 0 78 -4,-2.8 4,-1.7 1,-0.2 3,-0.4 0.907 111.6 54.3 -61.1 -39.9 -19.2 -21.9 -6.8 105 112 A S H < S+ 0 0 9 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.835 102.1 56.3 -63.3 -35.7 -18.2 -18.5 -5.3 106 113 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 111.5 44.7 -65.7 -30.5 -18.8 -16.7 -8.7 107 114 A A H < S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.801 88.6 102.5 -79.1 -31.9 -22.4 -18.1 -8.6 108 115 A N >< - 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