==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-SEP-12 4HA1 . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,R.HASER,N.AGHAJARI . 1113 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 49 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 6 6 3 2 0 0 2 4 3 4 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 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 0 PARALLEL BRIDGES PER LADDER . 10 4 0 6 2 2 0 2 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 2 0 2 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 2 A P 0 0 192 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.6 -10.4 -26.2 10.8 2 3 A G - 0 0 74 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.562 360.0-110.7 -99.5 162.9 -11.4 -22.8 9.8 3 4 A A - 0 0 56 -2,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.650 41.2 -94.8 -90.6 147.0 -9.5 -19.9 8.1 4 5 A P >> - 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.217 36.0-112.4 -56.5 151.3 -8.6 -16.7 10.0 5 6 A W T 34 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.2 4,-0.1 0.776 114.9 57.4 -57.5 -29.6 -11.1 -13.8 9.5 6 7 A W T 34 S+ 0 0 31 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.692 93.9 65.2 -79.8 -18.3 -8.5 -11.8 7.6 7 8 A K T <4 S+ 0 0 40 -3,-1.4 351,-0.3 1,-0.2 -1,-0.2 0.790 113.8 31.4 -73.1 -28.0 -7.9 -14.5 4.9 8 9 A S S < S+ 0 0 51 -4,-0.7 -1,-0.2 -3,-0.4 2,-0.2 0.224 99.3 111.1-113.3 13.1 -11.4 -14.1 3.5 9 10 A A - 0 0 3 -3,-0.3 2,-0.6 -4,-0.1 36,-0.1 -0.553 60.1-138.5 -87.4 151.8 -11.9 -10.4 4.3 10 11 A V - 0 0 0 34,-0.2 36,-1.7 -2,-0.2 37,-1.2 -0.954 23.7-156.4-110.2 114.7 -12.1 -7.6 1.8 11 12 A F E -ab 47 361A 1 349,-2.4 351,-2.4 -2,-0.6 2,-0.4 -0.584 8.3-158.1 -92.6 152.8 -10.2 -4.5 2.9 12 13 A Y E -ab 48 362A 0 35,-1.8 37,-1.9 349,-0.2 2,-0.7 -0.996 12.9-141.8-129.8 125.3 -10.7 -0.9 1.9 13 14 A Q E -ab 49 363A 2 349,-2.9 351,-2.0 -2,-0.4 2,-0.5 -0.796 15.7-167.7 -93.7 118.0 -8.0 1.7 2.2 14 15 A V E -a 50 0A 0 35,-2.4 37,-1.6 -2,-0.7 3,-0.1 -0.902 14.1-159.2-104.2 126.5 -9.0 5.2 3.3 15 16 A Y > - 0 0 3 -2,-0.5 3,-2.3 35,-0.2 4,-0.2 -0.869 15.8-159.9 -99.9 94.0 -6.6 8.1 3.0 16 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.795 82.9 63.7 -55.0 -37.3 -8.4 10.3 5.6 17 18 A R G 34 S+ 0 0 30 1,-0.3 11,-2.8 2,-0.1 419,-0.2 0.808 116.6 29.5 -53.3 -32.8 -6.9 13.5 4.4 18 19 A S G <4 S+ 0 0 0 -3,-2.3 402,-2.4 9,-0.2 -1,-0.3 0.127 106.3 76.3-118.9 21.2 -8.6 13.1 1.0 19 20 A F T <4 S- 0 0 1 -3,-1.4 2,-0.3 -4,-0.2 -2,-0.1 0.911 103.4 -13.4 -97.7 -64.8 -11.8 11.1 1.9 20 21 A K < - 0 0 28 -4,-0.7 9,-2.6 9,-0.2 12,-0.4 -0.894 51.9-161.3-151.9 118.1 -14.4 13.4 3.5 21 22 A D + 0 0 3 409,-1.8 7,-0.2 -2,-0.3 -4,-0.0 -0.718 11.6 173.1 -92.5 143.9 -14.2 16.9 4.9 22 23 A T S S+ 0 0 59 5,-0.4 -1,-0.1 -2,-0.3 6,-0.1 0.367 73.3 49.3-130.9 0.9 -16.9 18.2 7.3 23 24 A N S S- 0 0 108 4,-0.3 408,-0.1 0, 0.0 5,-0.0 0.192 103.2-113.0-128.5 16.4 -15.6 21.6 8.6 24 25 A G S S+ 0 0 30 1,-0.1 410,-0.3 3,-0.1 407,-0.1 0.769 79.9 121.9 61.3 32.4 -14.7 23.3 5.3 25 26 A D S S- 0 0 67 2,-0.3 -1,-0.1 408,-0.1 3,-0.1 0.470 83.9-112.8 -98.4 -4.9 -10.9 23.4 5.9 26 27 A G S S+ 0 0 0 1,-0.2 410,-2.5 409,-0.1 2,-0.4 0.498 85.3 106.7 87.5 5.6 -10.3 21.5 2.7 27 28 A I S S- 0 0 22 408,-0.2 -5,-0.4 409,-0.1 -4,-0.3 -0.962 71.1-120.9-122.2 132.5 -9.0 18.5 4.7 28 29 A G - 0 0 0 -11,-2.8 -7,-0.3 -2,-0.4 2,-0.3 -0.307 38.1-176.3 -64.3 152.8 -10.7 15.2 5.2 29 30 A D > - 0 0 9 -9,-2.6 4,-1.6 1,-0.1 -9,-0.2 -0.848 40.6 -93.1-145.2 177.6 -11.3 14.2 8.8 30 31 A F H > S+ 0 0 1 45,-2.3 4,-2.5 -2,-0.3 5,-0.2 0.896 120.1 56.3 -64.1 -43.6 -12.6 11.5 11.2 31 32 A K H > S+ 0 0 33 44,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.831 107.2 52.3 -58.9 -31.8 -16.1 12.9 11.3 32 33 A G H 4 S+ 0 0 0 -12,-0.4 4,-0.3 -3,-0.2 -1,-0.2 0.912 109.2 47.5 -68.8 -44.0 -16.2 12.7 7.5 33 34 A L H >< S+ 0 0 2 -4,-1.6 3,-1.0 -13,-0.3 -2,-0.2 0.871 109.9 53.7 -64.9 -38.0 -15.1 9.0 7.6 34 35 A T H >< S+ 0 0 23 -4,-2.5 3,-1.4 1,-0.3 4,-0.3 0.884 104.1 54.8 -65.8 -38.5 -17.7 8.2 10.2 35 36 A E T 3< S+ 0 0 130 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.570 109.0 50.8 -71.4 -7.5 -20.6 9.7 8.1 36 37 A K T <> S+ 0 0 49 -3,-1.0 4,-1.7 -4,-0.3 -1,-0.3 0.206 75.6 100.9-115.6 12.7 -19.5 7.4 5.3 37 38 A L H <> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.859 81.1 55.2 -67.1 -34.4 -19.4 4.1 7.1 38 39 A D H > S+ 0 0 103 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.879 105.1 53.1 -65.0 -39.6 -22.9 3.1 5.7 39 40 A Y H > S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.932 112.2 45.0 -58.5 -46.6 -21.6 3.7 2.2 40 41 A L H X>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 4,-1.1 0.897 112.8 50.4 -67.3 -42.1 -18.6 1.4 2.8 41 42 A K H ><5S+ 0 0 90 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.962 108.3 52.8 -56.6 -53.8 -20.9 -1.3 4.5 42 43 A G H 3<5S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.6 56.1 -54.4 -32.0 -23.3 -1.2 1.5 43 44 A L H 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.801 123.2-108.7 -68.2 -30.3 -20.3 -1.8 -0.8 44 45 A G T <<5 + 0 0 22 -3,-1.3 2,-0.3 -4,-1.1 -34,-0.2 0.587 58.3 164.1 111.0 18.2 -19.6 -4.9 1.3 45 46 A I < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.1 -0.514 19.4-175.6 -76.3 128.6 -16.4 -3.8 3.1 46 47 A D + 0 0 47 -36,-1.7 48,-1.7 -2,-0.3 2,-0.3 0.795 67.2 14.3 -90.8 -33.4 -15.3 -5.9 6.1 47 48 A A E -ac 11 94A 0 -37,-1.2 -35,-1.8 46,-0.2 2,-0.5 -0.993 62.6-141.4-149.2 152.1 -12.4 -3.9 7.3 48 49 A I E -ac 12 95A 1 46,-2.5 48,-3.7 -2,-0.3 2,-0.6 -0.954 2.1-161.2-121.9 126.5 -10.7 -0.5 6.9 49 50 A W E -ac 13 96A 2 -37,-1.9 -35,-2.4 -2,-0.5 2,-0.4 -0.934 17.5-166.5 -98.6 119.0 -7.1 0.4 6.7 50 51 A I E -ac 14 97A 0 46,-2.1 48,-0.6 -2,-0.6 -35,-0.2 -0.857 20.7-117.9-103.8 143.3 -6.6 4.1 7.4 51 52 A N - 0 0 2 -37,-1.6 47,-0.1 -2,-0.4 11,-0.1 -0.278 65.5 -46.4 -68.7 163.3 -3.3 6.0 6.7 52 53 A P + 0 0 1 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.047 53.4 177.8 -43.2 133.2 -1.5 7.6 9.7 53 54 A H + 0 0 0 45,-0.2 19,-2.6 -3,-0.1 2,-0.2 0.020 41.2 112.9-125.9 21.0 -3.8 9.5 12.1 54 55 A Y E S-H 71 0B 3 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.515 81.9 -70.3 -97.3 164.2 -1.3 10.6 14.7 55 56 A A E +H 67 0B 19 15,-1.7 11,-2.4 12,-1.0 12,-1.1 -0.302 68.8 159.8 -53.5 128.8 -0.1 14.0 15.7 56 57 A S - 0 0 17 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.990 54.8-136.2-159.1 139.8 2.2 15.2 12.9 57 58 A P - 0 0 60 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.572 52.4-130.7 -70.4 -10.7 3.7 18.4 11.3 58 59 A N + 0 0 24 6,-0.5 3,-0.4 1,-0.1 7,-0.1 0.804 62.2 141.7 63.0 37.3 2.7 16.8 8.0 59 60 A T S S+ 0 0 37 1,-0.2 325,-0.2 5,-0.2 -1,-0.1 0.703 94.9 22.0 -72.1 -20.8 5.9 17.1 6.1 60 61 A D S > S- 0 0 10 4,-0.1 3,-1.1 323,-0.1 -1,-0.2 -0.065 123.2 -99.1-133.3 32.5 5.0 13.7 4.8 61 62 A N T 3 S- 0 0 20 -3,-0.4 -44,-0.1 1,-0.3 -2,-0.0 0.913 93.4 -27.7 51.5 55.9 1.2 13.8 5.5 62 63 A G T 3 S+ 0 0 0 2,-0.2 -8,-0.3 -9,-0.1 -1,-0.3 0.157 116.6 98.4 98.8 -18.6 1.1 11.8 8.7 63 64 A Y S < S+ 0 0 17 -3,-1.1 2,-0.5 1,-0.2 -2,-0.1 0.379 74.1 69.4 -84.9 6.0 4.2 9.7 8.1 64 65 A D S S- 0 0 0 -10,-0.1 -6,-0.5 -12,-0.1 2,-0.4 -0.829 79.2-166.0-118.2 91.9 6.2 12.1 10.3 65 66 A I + 0 0 1 -2,-0.5 40,-2.7 38,-0.2 -9,-0.3 -0.662 23.8 177.2 -92.3 126.4 4.8 11.5 13.7 66 67 A S S S+ 0 0 30 -11,-2.4 43,-0.6 -2,-0.4 2,-0.2 0.497 81.1 19.7-101.2 -9.0 5.5 13.9 16.6 67 68 A D E > -H 55 0B 64 -12,-1.1 3,-1.3 3,-0.2 -12,-1.0 -0.693 59.4-163.9-162.8 107.9 3.3 12.1 19.2 68 69 A Y E 3 S+ 0 0 8 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.649 91.0 50.3 -69.5 -15.8 2.3 8.4 18.9 69 70 A R E 3 S+ 0 0 101 2,-0.1 2,-0.3 -15,-0.0 -1,-0.3 0.270 98.9 75.2-110.1 10.6 -0.5 8.7 21.5 70 71 A E E < S- 0 0 102 -3,-1.3 -15,-1.7 -15,-0.1 2,-0.3 -0.915 78.7-118.7-120.0 152.1 -2.2 11.8 20.2 71 72 A V E -H 54 0B 15 -2,-0.3 -17,-0.3 -17,-0.3 7,-0.1 -0.627 40.4 -92.0 -87.5 144.0 -4.6 12.1 17.2 72 73 A M >> - 0 0 0 -19,-2.6 4,-1.2 -2,-0.3 3,-1.1 -0.354 30.7-135.8 -55.1 125.9 -3.7 14.4 14.3 73 74 A K T 34 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.832 103.3 58.0 -55.0 -37.0 -5.3 17.8 14.9 74 75 A E T 34 S+ 0 0 73 1,-0.2 -1,-0.3 -45,-0.0 3,-0.1 0.845 107.5 46.8 -62.3 -34.1 -6.5 18.0 11.3 75 76 A Y T <4 S- 0 0 4 -3,-1.1 -45,-2.3 1,-0.3 -44,-0.5 0.691 117.4-107.2 -86.0 -18.8 -8.5 14.7 11.7 76 77 A G < - 0 0 22 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.2 -0.979 46.9 -44.1 134.1-145.8 -10.1 15.6 15.0 77 78 A T > - 0 0 72 -2,-0.4 4,-1.6 -3,-0.1 3,-0.4 -0.674 54.3 -95.8-119.8 175.7 -9.7 14.5 18.6 78 79 A M H > S+ 0 0 44 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.824 124.8 60.3 -60.2 -31.4 -9.3 11.2 20.5 79 80 A E H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 102.8 50.0 -62.0 -42.5 -13.0 11.3 21.0 80 81 A D H > S+ 0 0 43 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.861 109.1 52.7 -64.7 -36.6 -13.6 11.3 17.3 81 82 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.909 110.0 47.3 -64.7 -43.1 -11.3 8.3 16.9 82 83 A D H X S+ 0 0 67 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.886 110.2 52.1 -66.3 -40.9 -13.2 6.4 19.6 83 84 A R H X S+ 0 0 107 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.898 107.1 53.5 -61.8 -40.9 -16.5 7.3 17.9 84 85 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.917 110.4 47.9 -57.2 -45.4 -15.1 6.0 14.6 85 86 A M H X S+ 0 0 29 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.946 112.9 47.0 -57.3 -52.8 -14.3 2.7 16.4 86 87 A A H X S+ 0 0 60 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.890 112.6 48.4 -61.1 -43.3 -17.7 2.4 18.0 87 88 A E H < S+ 0 0 73 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.814 112.5 50.2 -69.0 -30.4 -19.6 3.2 14.8 88 89 A L H ><>S+ 0 0 4 -4,-1.8 5,-2.5 -5,-0.3 3,-1.5 0.942 109.7 49.9 -67.3 -49.2 -17.4 0.6 13.0 89 90 A K H ><5S+ 0 0 173 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.878 102.9 60.7 -59.8 -39.0 -18.1 -2.0 15.6 90 91 A K T 3<5S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.704 107.8 46.0 -61.4 -20.1 -21.8 -1.4 15.4 91 92 A R T < 5S- 0 0 50 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.243 118.9-111.4-104.6 10.4 -21.6 -2.4 11.7 92 93 A G T < 5S+ 0 0 56 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.807 73.4 141.1 63.1 29.9 -19.4 -5.5 12.5 93 94 A M < - 0 0 8 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.2 -0.725 41.0-142.5-104.2 154.9 -16.5 -3.8 10.8 94 95 A R E -c 47 0A 100 -48,-1.7 -46,-2.5 -2,-0.3 2,-0.5 -0.800 6.7-136.1-116.5 158.0 -12.9 -3.8 11.8 95 96 A L E -c 48 0A 4 -2,-0.3 99,-1.8 97,-0.3 100,-1.3 -0.953 10.9-169.5-119.9 129.2 -10.1 -1.2 11.8 96 97 A M E -cd 49 195A 1 -48,-3.7 -46,-2.1 -2,-0.5 2,-0.3 -0.959 15.5-159.3-109.8 131.7 -6.5 -1.5 10.7 97 98 A V E -cd 50 196A 0 98,-2.5 100,-3.1 -2,-0.4 2,-0.4 -0.732 20.5-108.0-109.5 161.4 -4.2 1.4 11.5 98 99 A D E - d 0 197A 0 -48,-0.6 2,-0.6 -2,-0.3 -45,-0.2 -0.699 26.0-156.5 -87.8 134.5 -0.8 2.4 10.1 99 100 A V E - d 0 198A 4 98,-3.9 100,-1.9 -2,-0.4 2,-0.8 -0.942 9.7-176.0-116.7 113.5 2.2 1.9 12.3 100 101 A V + 0 0 1 -2,-0.6 -35,-0.2 98,-0.2 100,-0.1 -0.772 28.5 137.2-112.3 87.0 5.2 4.1 11.4 101 102 A I + 0 0 0 -2,-0.8 -1,-0.1 98,-0.4 3,-0.1 0.072 48.3 85.1-125.2 22.6 8.1 3.1 13.7 102 103 A N S S- 0 0 1 1,-0.3 68,-2.3 97,-0.1 2,-0.3 0.717 112.1 -8.7 -82.4 -27.5 11.1 3.1 11.3 103 104 A H B -I 169 0C 7 66,-0.3 -1,-0.3 -40,-0.1 2,-0.2 -0.948 64.6-146.8-158.3 167.5 11.4 6.8 12.1 104 105 A S - 0 0 0 64,-1.8 -38,-0.2 -2,-0.3 2,-0.1 -0.769 38.7 -77.1-129.8 179.9 9.5 9.7 13.8 105 106 A S > - 0 0 0 -40,-2.7 3,-1.2 -2,-0.2 6,-0.3 -0.430 35.0-123.7 -72.0 157.0 9.2 13.4 13.2 106 107 A D T 3 S+ 0 0 32 60,-1.2 -1,-0.1 1,-0.2 61,-0.1 0.505 112.4 65.2 -79.2 -4.0 12.0 15.7 14.2 107 108 A Q T 3 S+ 0 0 90 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.408 75.6 115.1 -94.5 -2.1 9.5 17.4 16.4 108 109 A H S X> S- 0 0 13 -3,-1.2 4,-2.1 -43,-0.2 3,-0.5 -0.432 76.4-123.5 -65.8 143.7 9.0 14.4 18.6 109 110 A E H 3> S+ 0 0 117 -43,-0.6 4,-2.1 1,-0.2 5,-0.2 0.837 110.0 61.9 -58.5 -34.7 10.1 14.9 22.2 110 111 A W H 3> S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 108.8 41.0 -55.8 -45.9 12.5 11.9 21.9 111 112 A F H <> S+ 0 0 6 -3,-0.5 4,-2.6 -6,-0.3 -2,-0.2 0.854 109.1 58.0 -75.4 -36.4 14.4 13.7 19.1 112 113 A K H < S+ 0 0 93 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.892 115.9 37.8 -58.6 -39.9 14.3 17.1 20.8 113 114 A S H >X S+ 0 0 31 -4,-2.1 3,-1.2 -5,-0.2 4,-0.6 0.928 113.8 56.0 -73.7 -48.5 16.0 15.6 23.8 114 115 A S H 3< S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.3 6,-0.2 0.847 107.5 48.9 -52.8 -38.9 18.3 13.3 21.7 115 116 A R T 3< S+ 0 0 100 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.698 91.0 82.3 -81.3 -13.7 19.7 16.2 19.8 116 117 A A T <4 S- 0 0 42 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 0.852 107.2 -26.3 -57.6 -43.9 20.5 18.3 22.9 117 118 A S >< - 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