==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-SEP-12 4H2C . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 555 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 3 3 1 2 0 0 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 4 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 . 5 2 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 1 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 G 0 0 129 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.9 -6.9 98.1 33.9 2 4 A A - 0 0 61 1,-0.1 5,-0.1 2,-0.1 474,-0.0 -0.369 360.0 -84.4 -65.7 153.5 -4.3 97.4 31.3 3 5 A P >> - 0 0 50 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.281 38.4-114.8 -57.8 148.0 -1.4 99.9 31.2 4 6 A W G >4 S+ 0 0 60 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.844 112.2 62.6 -50.9 -38.6 -2.1 103.1 29.2 5 7 A W G 34 S+ 0 0 25 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.710 90.8 64.8 -70.2 -18.3 0.6 102.2 26.7 6 8 A K G <4 S+ 0 0 44 -3,-1.6 -1,-0.3 1,-0.2 351,-0.3 0.781 112.2 35.0 -74.2 -22.0 -1.1 99.0 25.5 7 9 A S S << S+ 0 0 57 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.371 96.0 109.2-111.3 4.1 -4.0 100.9 24.1 8 10 A A - 0 0 5 -4,-0.5 2,-0.5 -3,-0.4 36,-0.1 -0.514 59.4-141.3 -79.4 147.8 -2.1 104.0 22.9 9 11 A V - 0 0 0 34,-0.2 36,-2.4 -2,-0.2 37,-1.4 -0.962 23.8-159.3-106.4 123.8 -1.5 104.9 19.3 10 12 A F E -ab 46 360A 1 349,-2.6 351,-2.5 -2,-0.5 2,-0.4 -0.690 9.6-156.8-103.1 155.3 2.0 106.4 18.7 11 13 A Y E -ab 47 361A 0 35,-1.7 37,-2.5 -2,-0.2 2,-0.6 -0.999 14.9-137.8-131.8 129.4 3.3 108.5 15.9 12 14 A Q E -ab 48 362A 2 349,-3.0 351,-2.2 -2,-0.4 2,-0.5 -0.823 16.8-166.1 -94.2 123.7 7.0 108.6 15.1 13 15 A V E -a 49 0A 0 35,-2.9 37,-2.0 -2,-0.6 3,-0.1 -0.932 15.3-165.1-108.4 125.3 8.5 112.0 14.3 14 16 A Y > - 0 0 3 -2,-0.5 3,-2.1 35,-0.2 4,-0.2 -0.935 20.8-157.6 -99.0 97.0 11.9 112.4 12.7 15 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.819 81.4 67.7 -60.0 -32.0 12.1 116.1 13.5 16 18 A R G 34 S+ 0 0 38 1,-0.3 11,-2.6 2,-0.1 419,-0.2 0.784 113.7 30.1 -55.8 -29.8 14.6 117.0 10.8 17 19 A S G <4 S+ 0 0 0 -3,-2.1 402,-2.6 9,-0.2 -1,-0.3 0.199 105.5 78.1-117.4 18.7 12.1 116.2 8.2 18 20 A F T <4 S- 0 0 0 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.1 0.942 104.6 -21.3 -91.9 -69.0 8.8 117.1 9.9 19 21 A K < - 0 0 33 -4,-0.6 9,-2.5 9,-0.2 2,-0.4 -0.920 50.9-154.3-150.8 123.4 8.3 120.9 9.9 20 22 A D + 0 0 3 409,-2.3 7,-0.2 -2,-0.3 411,-0.1 -0.803 13.2 176.1 -91.0 132.4 10.8 123.8 9.6 21 23 A T S S+ 0 0 43 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.392 75.5 46.5-117.7 1.9 9.8 127.1 11.2 22 24 A N S S- 0 0 109 4,-0.3 -1,-0.1 0, 0.0 408,-0.1 0.355 103.9-114.4-126.3 7.2 12.8 129.3 10.6 23 25 A G S S+ 0 0 23 3,-0.1 410,-0.5 1,-0.1 407,-0.1 0.585 79.6 121.3 76.8 12.1 13.6 128.6 6.9 24 26 A D S S- 0 0 76 2,-0.3 3,-0.1 408,-0.1 -1,-0.1 0.462 84.3-113.5 -85.1 0.1 17.0 126.9 7.4 25 27 A G S S+ 0 0 0 1,-0.2 410,-2.5 409,-0.1 2,-0.5 0.462 85.5 107.0 87.1 1.5 15.6 123.8 5.6 26 28 A I S S- 0 0 25 408,-0.2 -5,-0.3 409,-0.1 -4,-0.3 -0.955 72.3-120.7-117.1 130.1 15.7 121.6 8.8 27 29 A G - 0 0 0 -11,-2.6 -7,-0.3 -2,-0.5 2,-0.2 -0.282 39.4-172.8 -66.1 153.0 12.6 120.6 10.8 28 30 A D > - 0 0 9 -9,-2.5 4,-1.9 1,-0.1 -9,-0.2 -0.819 38.9 -91.9-145.7 175.8 12.6 121.8 14.3 29 31 A F H > S+ 0 0 1 45,-2.9 4,-2.8 -2,-0.2 5,-0.2 0.903 121.3 53.3 -62.7 -42.1 10.9 121.7 17.8 30 32 A K H > S+ 0 0 98 44,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.878 107.4 54.4 -62.1 -36.5 8.8 124.7 17.1 31 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.931 109.1 45.8 -63.4 -43.8 7.6 123.0 13.9 32 34 A L H >< S+ 0 0 3 -4,-1.9 3,-1.1 -13,-0.3 -2,-0.2 0.938 112.0 52.8 -61.8 -43.3 6.5 119.9 15.7 33 35 A T H >< S+ 0 0 9 -4,-2.8 3,-1.5 1,-0.3 4,-0.3 0.894 106.0 53.0 -60.6 -40.4 4.8 122.1 18.4 34 36 A E H 3< S+ 0 0 122 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.702 108.7 51.6 -69.0 -18.9 2.8 124.0 15.7 35 37 A K T S+ 0 0 0 -3,-1.5 4,-3.0 1,-0.2 5,-0.2 0.879 79.8 55.4 -66.8 -32.7 0.3 119.2 17.6 37 39 A D H > S+ 0 0 107 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.883 107.3 51.3 -64.9 -38.3 -3.3 120.1 16.7 38 40 A Y H > S+ 0 0 27 2,-0.2 4,-1.6 -4,-0.2 -2,-0.2 0.955 113.5 43.3 -59.6 -49.5 -2.9 118.2 13.4 39 41 A L H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-1.1 0.898 113.2 51.4 -66.8 -38.7 -1.6 115.1 15.3 40 42 A K H <5S+ 0 0 99 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.913 109.0 52.1 -62.9 -39.5 -4.3 115.4 18.0 41 43 A G H <5S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.836 104.5 55.1 -66.6 -31.1 -6.9 115.6 15.3 42 44 A L H <5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.782 123.6-107.9 -68.9 -28.1 -5.6 112.4 13.6 43 45 A G T <5 + 0 0 17 -4,-1.1 -34,-0.2 -3,-0.5 -3,-0.2 0.539 58.9 163.5 111.3 13.9 -6.1 110.7 17.0 44 46 A I < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.2 -0.410 20.9-173.5 -72.1 134.7 -2.5 110.3 18.2 45 47 A D + 0 0 50 -36,-2.4 48,-1.7 1,-0.3 2,-0.3 0.759 69.9 12.4 -93.2 -29.8 -2.0 109.6 21.9 46 48 A A E -ac 10 93A 0 -37,-1.4 -35,-1.7 46,-0.2 2,-0.4 -0.997 61.8-144.7-153.9 143.2 1.8 109.8 22.0 47 49 A I E -ac 11 94A 0 46,-2.6 48,-3.2 -2,-0.3 2,-0.6 -0.945 6.5-155.1-115.3 131.3 4.7 111.0 19.8 48 50 A W E -ac 12 95A 2 -37,-2.5 -35,-2.9 -2,-0.4 2,-0.4 -0.952 16.4-161.8-100.9 115.9 8.1 109.3 19.7 49 51 A I E -ac 13 96A 0 46,-2.5 48,-0.8 -2,-0.6 -35,-0.2 -0.831 17.4-121.3 -96.2 138.8 10.8 111.8 18.6 50 52 A N - 0 0 1 -37,-2.0 -1,-0.1 -2,-0.4 11,-0.1 -0.121 67.4 -38.6 -65.9 169.4 14.1 110.7 17.2 51 53 A P + 0 0 4 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.003 57.9 174.7 -47.6 130.4 17.3 111.8 19.0 52 54 A H + 0 0 0 45,-0.2 19,-2.3 -3,-0.2 2,-0.2 0.124 39.3 111.5-122.3 19.4 16.9 115.4 20.2 53 55 A Y E S-H 70 0B 4 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.550 80.9 -76.9-101.0 160.6 20.1 115.9 22.2 54 56 A A E +H 66 0B 17 15,-2.2 11,-2.2 12,-0.8 12,-1.2 -0.284 66.7 159.4 -52.7 128.3 23.3 117.9 21.7 55 57 A S - 0 0 19 9,-0.3 9,-0.2 10,-0.2 17,-0.2 -0.988 55.1-134.9-158.9 138.2 25.3 116.0 19.0 56 58 A P - 0 0 60 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.548 50.5-132.3 -68.4 -9.4 28.2 116.6 16.5 57 59 A N > + 0 0 44 6,-0.6 3,-0.5 2,-0.1 7,-0.1 0.813 63.3 137.9 59.7 37.4 25.8 114.6 14.2 58 60 A T T 3 S+ 0 0 60 1,-0.2 -1,-0.1 5,-0.2 107,-0.0 0.680 84.7 29.7 -76.0 -20.5 28.4 112.2 12.8 59 61 A D T > S- 0 0 47 4,-0.1 3,-2.4 106,-0.1 -1,-0.2 -0.376 127.4 -81.4-138.2 56.7 25.7 109.5 13.2 60 62 A N T < S- 0 0 42 -3,-0.5 -2,-0.1 1,-0.3 -5,-0.0 0.803 93.1 -52.6 57.1 34.0 22.3 111.2 12.7 61 63 A G T 3 S+ 0 0 2 2,-0.1 -8,-0.3 1,-0.1 -1,-0.3 0.441 115.9 110.1 82.3 0.7 22.2 112.4 16.3 62 64 A Y < + 0 0 27 -3,-2.4 2,-0.6 1,-0.1 -2,-0.1 0.334 63.7 76.9 -89.1 4.7 23.0 109.0 17.8 63 65 A D S S- 0 0 0 41,-0.0 -6,-0.6 40,-0.0 2,-0.5 -0.877 77.6-165.5-109.7 94.0 26.4 110.3 18.8 64 66 A I + 0 0 1 -2,-0.6 40,-2.6 38,-0.3 -9,-0.3 -0.695 23.3 179.9 -96.7 126.5 25.4 112.4 21.8 65 67 A S S S+ 0 0 30 -11,-2.2 43,-0.8 -2,-0.5 2,-0.3 0.583 80.5 17.5 -98.9 -11.1 27.8 115.0 23.3 66 68 A D E > -H 54 0B 61 -12,-1.2 3,-1.2 3,-0.2 -12,-0.8 -0.784 59.2-162.9-159.0 112.3 25.6 116.2 26.2 67 69 A Y E 3 S+ 0 0 4 -2,-0.3 -1,-0.1 1,-0.2 -12,-0.0 0.614 91.6 54.0 -71.4 -11.7 22.6 114.3 27.3 68 70 A R E 3 S+ 0 0 95 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.169 100.3 67.6-109.5 14.9 21.2 117.4 29.1 69 71 A E E < S- 0 0 98 -3,-1.2 -15,-2.2 -15,-0.1 -3,-0.2 -0.929 80.1-115.2-129.2 156.8 21.2 119.7 26.2 70 72 A V E -H 53 0B 15 -2,-0.3 2,-0.5 -17,-0.3 -17,-0.3 -0.466 37.4 -87.9 -90.8 163.6 19.2 119.7 23.0 71 73 A M >> - 0 0 4 -19,-2.3 3,-2.0 -17,-0.2 4,-0.6 -0.586 36.8-140.9 -66.5 116.6 20.2 119.3 19.4 72 74 A K G >4 S+ 0 0 81 -2,-0.5 3,-1.0 1,-0.3 -1,-0.2 0.808 97.7 61.3 -51.9 -38.0 21.1 122.9 18.3 73 75 A E G 34 S+ 0 0 71 1,-0.2 -1,-0.3 -45,-0.0 3,-0.1 0.690 104.3 50.0 -64.3 -21.2 19.5 122.4 14.8 74 76 A Y G <4 S- 0 0 8 -3,-2.0 -45,-2.9 1,-0.3 -44,-0.5 0.565 118.4-103.5 -94.4 -10.4 16.1 121.7 16.4 75 77 A G << - 0 0 24 -3,-1.0 -1,-0.3 -4,-0.6 2,-0.2 -0.962 50.1 -40.0 128.8-146.2 16.1 124.8 18.6 76 78 A T > - 0 0 74 -2,-0.4 4,-1.8 -3,-0.1 5,-0.1 -0.711 50.2-102.3-120.4 170.2 16.7 125.5 22.3 77 79 A M H > S+ 0 0 37 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.866 122.7 56.6 -62.7 -34.3 15.8 123.9 25.6 78 80 A E H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 104.0 53.3 -64.9 -36.3 13.0 126.5 26.1 79 81 A D H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 109.9 48.5 -60.5 -40.3 11.6 125.3 22.7 80 82 A F H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 110.3 49.6 -64.5 -44.3 11.7 121.7 24.1 81 83 A D H X S+ 0 0 45 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.867 109.9 52.1 -65.1 -34.3 10.0 122.8 27.4 82 84 A R H X S+ 0 0 131 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.904 107.0 53.4 -63.3 -44.9 7.3 124.6 25.3 83 85 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.930 109.0 49.0 -55.2 -45.4 6.7 121.4 23.3 84 86 A M H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.910 111.4 48.8 -63.9 -40.9 6.2 119.5 26.6 85 87 A A H X S+ 0 0 46 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.889 111.5 49.8 -66.0 -39.2 3.7 122.0 27.9 86 88 A E H X S+ 0 0 20 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.857 110.2 50.1 -71.0 -32.6 1.8 122.0 24.6 87 89 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.8 -5,-0.2 3,-0.8 0.924 110.0 50.8 -64.9 -44.9 1.6 118.2 24.6 88 90 A K H ><5S+ 0 0 180 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.907 104.7 56.8 -61.3 -41.2 0.4 118.2 28.2 89 91 A K H 3<5S+ 0 0 157 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.794 111.8 43.8 -58.5 -29.8 -2.3 120.7 27.4 90 92 A R T <<5S- 0 0 55 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.258 115.5-113.2 -99.0 6.7 -3.6 118.3 24.7 91 93 A G T < 5S+ 0 0 61 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.798 72.3 138.2 64.6 27.8 -3.3 115.2 26.8 92 94 A M < - 0 0 9 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.749 41.9-141.2-107.8 155.3 -0.5 113.8 24.6 93 95 A R E -c 46 0A 66 -48,-1.7 -46,-2.6 -2,-0.3 2,-0.4 -0.767 5.4-136.7-114.3 157.6 2.7 112.1 25.7 94 96 A L E -c 47 0A 1 97,-0.4 99,-2.5 -2,-0.3 100,-1.1 -0.964 11.5-169.6-118.4 129.5 6.3 112.2 24.5 95 97 A M E -cd 48 194A 0 -48,-3.2 -46,-2.5 -2,-0.4 2,-0.3 -0.933 12.7-166.8-107.6 139.8 8.6 109.2 24.0 96 98 A V E -cd 49 195A 0 98,-2.2 100,-2.6 -2,-0.4 2,-0.3 -0.872 25.2-107.8-121.0 157.7 12.3 109.9 23.3 97 99 A D E - d 0 196A 0 -48,-0.8 2,-0.5 -2,-0.3 -45,-0.2 -0.634 28.1-155.2 -74.8 143.9 15.2 107.8 22.1 98 100 A V E - d 0 197A 2 98,-2.9 100,-2.4 -2,-0.3 2,-0.7 -0.981 9.1-173.0-124.0 116.6 17.7 106.9 24.8 99 101 A V + 0 0 2 -2,-0.5 -35,-0.2 98,-0.2 100,-0.1 -0.806 29.8 138.1-114.7 88.2 21.2 106.2 23.4 100 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.160 47.2 86.2-127.1 18.7 23.3 105.0 26.4 101 103 A N S S- 0 0 0 1,-0.3 68,-1.9 97,-0.2 2,-0.3 0.766 111.7 -3.3 -73.7 -28.7 25.2 102.1 24.9 102 104 A H B -I 168 0C 8 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.974 64.9-144.4-156.3 158.2 27.7 104.8 23.9 103 105 A S - 0 0 0 64,-1.8 -38,-0.2 -2,-0.3 2,-0.1 -0.756 40.0 -83.9-112.5 170.3 28.3 108.5 23.9 104 106 A S > - 0 0 0 -40,-2.6 3,-1.4 -2,-0.3 6,-0.3 -0.408 35.3-122.4 -58.0 149.4 29.9 110.8 21.4 105 107 A D T 3 S+ 0 0 10 60,-1.9 -1,-0.1 1,-0.2 61,-0.1 0.572 114.2 63.2 -72.3 -3.4 33.7 111.0 21.8 106 108 A Q T 3 S+ 0 0 81 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.438 74.5 116.8 -97.0 -3.5 33.0 114.8 22.2 107 109 A H S X> S- 0 0 12 -3,-1.4 4,-2.4 -43,-0.2 3,-0.8 -0.427 76.8-123.2 -59.7 137.8 31.0 114.1 25.4 108 110 A E H 3> S+ 0 0 117 -43,-0.8 4,-2.2 1,-0.3 5,-0.2 0.802 110.7 60.6 -58.5 -26.4 32.8 115.8 28.3 109 111 A W H 3> S+ 0 0 29 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.907 108.0 43.5 -64.0 -41.5 33.0 112.4 30.1 110 112 A F H <> S+ 0 0 0 -3,-0.8 4,-2.8 -6,-0.3 -2,-0.2 0.887 110.7 53.9 -75.0 -38.2 35.0 111.0 27.3 111 113 A K H X S+ 0 0 88 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.912 115.7 41.4 -59.3 -38.6 37.3 114.0 27.0 112 114 A S H >< S+ 0 0 46 -4,-2.2 3,-1.0 -5,-0.2 4,-0.4 0.951 114.4 52.3 -68.4 -48.8 38.0 113.6 30.7 113 115 A S H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.3 -2,-0.2 0.902 110.7 45.8 -54.7 -46.7 38.3 109.8 30.5 114 116 A R H 3< S+ 0 0 64 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.652 91.8 82.7 -76.3 -15.0 40.8 109.8 27.7 115 117 A A T << S- 0 0 60 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.718 106.7 -14.1 -68.1 -24.8 43.1 112.5 29.1 116 118 A S < - 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