==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-MAY-07 2PWH . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MESOACIDOPHILA; . AUTHOR S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 1112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 725 65.2 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 . 6 0.5 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 . 60 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 7 6 3 2 1 0 2 3 2 3 2 3 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 0 195 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.4 -9.3 -26.3 11.2 2 3 A G - 0 0 69 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.984 360.0-108.2-145.5 153.5 -10.6 -23.0 9.9 3 4 A A - 0 0 57 -2,-0.3 5,-0.1 1,-0.1 474,-0.0 -0.617 41.8-102.5 -85.5 142.2 -9.1 -20.0 8.1 4 5 A P >> - 0 0 51 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.146 31.4-110.1 -57.2 155.1 -8.8 -16.7 10.0 5 6 A W G >4 S+ 0 0 65 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.835 116.2 62.4 -57.5 -33.5 -11.3 -13.9 9.3 6 7 A W G 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.698 93.9 60.8 -69.3 -17.7 -8.6 -11.9 7.5 7 8 A K G <4 S+ 0 0 41 -3,-1.6 351,-0.3 1,-0.2 -1,-0.2 0.750 114.0 34.5 -79.9 -22.3 -8.0 -14.6 4.8 8 9 A S S << S+ 0 0 50 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.307 100.2 107.3-110.9 6.3 -11.6 -14.3 3.6 9 10 A A - 0 0 3 -4,-0.5 2,-0.6 -3,-0.1 36,-0.1 -0.472 60.6-141.1 -87.5 157.3 -12.0 -10.5 4.2 10 11 A V - 0 0 0 34,-0.2 36,-2.3 -2,-0.1 37,-1.2 -0.978 23.7-158.2-117.5 114.1 -12.1 -7.7 1.8 11 12 A F E -ab 47 361A 1 349,-2.5 351,-2.4 -2,-0.6 2,-0.4 -0.572 7.2-155.4 -92.8 158.6 -10.2 -4.6 3.0 12 13 A Y E -ab 48 362A 0 35,-1.8 37,-2.2 349,-0.2 2,-0.6 -1.000 13.5-139.2-133.4 128.2 -10.6 -1.0 1.9 13 14 A Q E -ab 49 363A 2 349,-3.0 351,-2.1 -2,-0.4 2,-0.5 -0.813 15.8-164.1 -94.9 125.4 -7.8 1.5 2.3 14 15 A V E -a 50 0A 0 35,-2.7 37,-1.8 -2,-0.6 3,-0.1 -0.928 13.5-161.2-112.0 123.0 -8.7 5.0 3.5 15 16 A Y > - 0 0 3 -2,-0.5 3,-2.4 35,-0.2 4,-0.3 -0.817 14.8-162.0 -98.8 89.1 -6.3 7.9 3.1 16 17 A P G >> S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.791 83.3 64.4 -40.9 -42.8 -8.1 10.1 5.8 17 18 A R G 34 S+ 0 0 24 1,-0.3 11,-2.5 10,-0.1 419,-0.2 0.792 117.8 26.0 -56.1 -30.5 -6.4 13.2 4.5 18 19 A S G <4 S+ 0 0 0 -3,-2.4 402,-2.5 9,-0.2 -1,-0.3 0.148 105.8 79.4-122.5 20.1 -8.2 12.8 1.1 19 20 A F T <4 S- 0 0 1 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.1 0.940 103.7 -19.1 -91.6 -66.0 -11.4 10.9 2.0 20 21 A K < - 0 0 30 -4,-0.6 9,-2.2 9,-0.2 12,-0.4 -0.875 52.0-157.2-153.8 116.6 -14.0 13.3 3.5 21 22 A D + 0 0 4 409,-2.0 7,-0.2 7,-0.3 54,-0.0 -0.714 11.7 176.1 -90.9 139.2 -13.6 16.7 5.1 22 23 A T S S+ 0 0 49 5,-0.4 -1,-0.1 -2,-0.3 6,-0.1 0.331 74.2 47.4-125.0 5.3 -16.4 17.9 7.5 23 24 A N S S- 0 0 105 4,-0.3 408,-0.1 0, 0.0 5,-0.0 0.159 103.3-113.4-133.0 18.1 -15.1 21.3 8.8 24 25 A G S S+ 0 0 25 1,-0.1 410,-0.5 409,-0.1 407,-0.1 0.571 79.8 120.8 62.9 15.1 -14.1 23.0 5.5 25 26 A D S S- 0 0 71 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.485 85.1-111.7 -86.7 0.5 -10.4 23.2 6.1 26 27 A G S S+ 0 0 0 1,-0.2 410,-2.5 409,-0.1 2,-0.4 0.487 85.0 104.5 86.6 3.5 -9.8 21.2 3.0 27 28 A I S S- 0 0 23 408,-0.2 -5,-0.4 409,-0.1 -4,-0.3 -0.964 73.0-115.1-123.0 133.9 -8.5 18.1 4.7 28 29 A G - 0 0 0 -11,-2.5 -7,-0.3 -2,-0.4 2,-0.2 -0.241 39.3-174.1 -60.2 152.6 -10.3 14.8 5.4 29 30 A D > - 0 0 8 -9,-2.2 4,-1.7 1,-0.1 -9,-0.2 -0.832 38.9 -94.3-141.8 177.1 -11.0 14.0 9.0 30 31 A F H > S+ 0 0 0 45,-2.7 4,-3.3 -2,-0.2 5,-0.2 0.906 120.1 54.6 -63.5 -44.4 -12.3 11.2 11.3 31 32 A K H > S+ 0 0 104 44,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.888 107.6 53.5 -57.1 -37.3 -15.9 12.6 11.4 32 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.926 111.5 42.9 -63.0 -46.2 -15.8 12.5 7.6 33 34 A L H >< S+ 0 0 0 -4,-1.7 3,-1.1 -13,-0.3 -2,-0.2 0.935 113.0 53.3 -65.0 -45.5 -14.8 8.8 7.5 34 35 A T H >< S+ 0 0 18 -4,-3.3 3,-1.2 1,-0.3 4,-0.3 0.870 105.1 54.7 -58.2 -37.0 -17.2 8.0 10.3 35 36 A E H 3< S+ 0 0 124 -4,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.737 108.2 51.1 -69.3 -20.9 -20.1 9.6 8.3 36 37 A K T S+ 0 0 0 -3,-1.2 4,-3.2 1,-0.2 5,-0.2 0.867 78.9 56.3 -64.3 -35.0 -19.2 4.0 7.1 38 39 A D H > S+ 0 0 106 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.865 105.5 53.9 -63.7 -33.0 -22.6 3.1 5.6 39 40 A Y H > S+ 0 0 23 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.930 113.0 41.1 -64.3 -47.3 -21.1 3.7 2.2 40 41 A L H X>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 4,-1.2 0.918 115.1 51.0 -68.5 -43.0 -18.3 1.3 2.8 41 42 A K H ><5S+ 0 0 98 -4,-3.2 3,-0.6 1,-0.2 -2,-0.2 0.926 109.5 51.0 -59.9 -44.8 -20.5 -1.3 4.6 42 43 A G H 3<5S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.828 104.8 56.7 -62.2 -31.4 -22.9 -1.1 1.6 43 44 A L H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.807 122.6-110.8 -68.7 -28.0 -20.0 -1.7 -0.7 44 45 A G T <<5 + 0 0 19 -4,-1.2 -34,-0.2 -3,-0.6 -3,-0.2 0.530 58.0 163.4 108.6 11.7 -19.4 -4.9 1.3 45 46 A I < - 0 0 1 -5,-2.1 -1,-0.2 1,-0.1 -34,-0.2 -0.404 21.2-171.2 -65.9 134.0 -16.1 -3.9 3.0 46 47 A D + 0 0 45 -36,-2.3 48,-2.0 1,-0.3 2,-0.3 0.752 68.8 8.0 -95.3 -31.7 -15.2 -6.0 6.0 47 48 A A E -ac 11 94A 0 -37,-1.2 -35,-1.8 46,-0.2 2,-0.4 -0.996 62.4-142.4-152.1 153.1 -12.3 -4.0 7.3 48 49 A I E -ac 12 95A 0 46,-2.5 48,-3.2 -2,-0.3 2,-0.6 -0.949 3.0-155.7-121.7 137.5 -10.6 -0.7 6.7 49 50 A W E -ac 13 96A 2 -37,-2.2 -35,-2.7 -2,-0.4 2,-0.4 -0.961 18.3-161.8-108.6 120.6 -6.9 0.1 6.8 50 51 A I E -ac 14 97A 0 46,-2.4 48,-0.6 -2,-0.6 -35,-0.2 -0.851 17.2-121.4-104.3 141.1 -6.4 3.8 7.6 51 52 A N - 0 0 3 -37,-1.8 47,-0.2 -2,-0.4 11,-0.1 -0.204 65.8 -41.6 -68.9 170.5 -3.1 5.6 6.8 52 53 A P + 0 0 1 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.008 55.4 173.9 -38.8 126.4 -1.3 7.3 9.8 53 54 A H + 0 0 0 45,-0.3 19,-3.2 -3,-0.2 2,-0.2 0.139 41.3 110.7-122.2 14.9 -3.7 9.2 12.1 54 55 A Y E S-H 71 0B 4 17,-0.3 17,-0.3 8,-0.2 14,-0.1 -0.494 84.1 -69.2 -92.7 162.7 -1.2 10.2 14.9 55 56 A A E +H 67 0B 19 15,-1.7 11,-2.4 12,-0.8 12,-1.1 -0.238 68.9 162.9 -50.0 127.0 0.1 13.6 15.8 56 57 A S - 0 0 16 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.992 53.4-137.7-155.4 141.2 2.4 14.7 12.9 57 58 A P - 0 0 62 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.561 50.7-133.3 -72.3 -6.4 4.0 17.9 11.5 58 59 A N > + 0 0 27 6,-0.6 3,-1.1 1,-0.1 7,-0.1 0.755 61.6 141.7 59.1 32.2 2.9 16.3 8.2 59 60 A T T 3 S+ 0 0 33 1,-0.3 325,-0.3 5,-0.2 -1,-0.1 0.778 94.6 23.0 -68.5 -20.8 6.2 16.8 6.3 60 61 A D T > S- 0 0 7 4,-0.1 3,-2.0 106,-0.1 -1,-0.3 -0.209 121.6-101.2-136.5 42.1 5.2 13.3 5.0 61 62 A N T < S- 0 0 9 -3,-1.1 -44,-0.1 1,-0.3 -2,-0.1 0.844 93.2 -26.3 37.8 62.1 1.4 13.4 5.6 62 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.2 0.001 117.9 95.2 100.7 -29.8 1.2 11.3 8.7 63 64 A Y S < S+ 0 0 4 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.397 74.7 68.9 -78.1 4.1 4.4 9.2 8.2 64 65 A D S S- 0 0 0 -10,-0.1 -6,-0.6 -12,-0.1 2,-0.4 -0.841 78.3-167.5-122.3 88.9 6.4 11.6 10.4 65 66 A I + 0 0 0 -2,-0.5 40,-2.9 38,-0.3 -9,-0.3 -0.680 23.0 179.7 -87.3 125.0 4.9 11.0 13.8 66 67 A S S S+ 0 0 30 -11,-2.4 43,-0.6 -2,-0.4 2,-0.2 0.529 82.0 18.6 -98.4 -9.5 5.7 13.4 16.7 67 68 A D E > -H 55 0B 60 -12,-1.1 3,-1.2 3,-0.2 -12,-0.8 -0.734 59.8-163.3-162.9 106.7 3.5 11.5 19.3 68 69 A Y E 3 S+ 0 0 6 1,-0.2 -1,-0.0 -2,-0.2 32,-0.0 0.604 90.7 54.7 -69.3 -11.7 2.5 7.9 18.8 69 70 A R E 3 S+ 0 0 99 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.211 98.0 69.3-109.6 16.9 -0.2 8.2 21.5 70 71 A E E < S- 0 0 98 -3,-1.2 -15,-1.7 -15,-0.1 2,-0.2 -0.944 79.9-114.1-131.1 153.2 -2.2 11.2 20.2 71 72 A V E -H 54 0B 15 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.2 -0.514 42.5 -92.6 -84.0 153.9 -4.4 11.7 17.2 72 73 A M >> - 0 0 0 -19,-3.2 4,-1.2 -17,-0.2 3,-1.0 -0.500 32.1-131.8 -66.8 129.7 -3.4 14.0 14.4 73 74 A K G >4 S+ 0 0 81 1,-0.3 3,-0.6 -2,-0.2 -1,-0.1 0.885 104.7 56.4 -48.8 -46.4 -4.9 17.4 15.0 74 75 A E G 34 S+ 0 0 67 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.826 107.4 47.7 -57.7 -35.7 -6.3 17.6 11.5 75 76 A Y G <4 S- 0 0 5 -3,-1.0 -45,-2.7 1,-0.2 -44,-0.5 0.700 116.6-105.3 -82.9 -18.5 -8.3 14.4 11.8 76 77 A G << - 0 0 19 -4,-1.2 -1,-0.2 -3,-0.6 2,-0.2 -0.969 46.0 -44.7 135.8-151.2 -9.9 15.2 15.1 77 78 A T > - 0 0 75 -2,-0.3 4,-1.8 -3,-0.1 3,-0.2 -0.630 54.8 -96.8-116.3 174.5 -9.5 14.1 18.8 78 79 A M H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 126.3 58.3 -59.0 -35.7 -9.0 10.8 20.5 79 80 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 103.0 51.4 -60.2 -43.4 -12.8 10.9 21.1 80 81 A D H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 110.7 49.5 -60.8 -38.9 -13.3 11.1 17.3 81 82 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 110.4 49.4 -65.5 -44.2 -11.1 8.1 17.0 82 83 A D H X S+ 0 0 69 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.892 110.3 51.8 -61.2 -39.3 -13.0 6.2 19.6 83 84 A R H X S+ 0 0 78 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.898 107.0 51.8 -64.6 -42.3 -16.2 7.1 17.8 84 85 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.952 111.4 49.6 -57.4 -47.6 -14.9 5.8 14.6 85 86 A M H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 111.6 46.7 -55.2 -52.3 -14.0 2.6 16.5 86 87 A A H X S+ 0 0 49 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.882 112.9 48.8 -61.1 -42.2 -17.5 2.3 18.0 87 88 A E H X S+ 0 0 40 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.853 109.7 51.7 -68.7 -35.3 -19.3 2.9 14.7 88 89 A L H <>S+ 0 0 2 -4,-2.3 5,-3.5 -5,-0.2 3,-0.5 0.903 111.3 48.9 -66.1 -39.0 -17.2 0.4 12.8 89 90 A K H ><5S+ 0 0 174 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.895 102.4 60.1 -68.3 -40.1 -18.1 -2.1 15.5 90 91 A K H 3<5S+ 0 0 156 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 110.8 43.6 -57.6 -26.1 -21.8 -1.4 15.3 91 92 A R T 3<5S- 0 0 49 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.291 119.5-110.1-102.4 7.9 -21.6 -2.5 11.7 92 93 A G T < 5S+ 0 0 60 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.769 72.3 141.9 69.7 26.8 -19.4 -5.5 12.4 93 94 A M < - 0 0 11 -5,-3.5 2,-0.3 -6,-0.2 -1,-0.2 -0.716 41.4-139.2-103.3 153.0 -16.4 -3.9 10.7 94 95 A R E -c 47 0A 92 -48,-2.0 -46,-2.5 -2,-0.3 2,-0.4 -0.792 7.9-138.6-111.5 153.4 -12.8 -4.0 11.7 95 96 A L E -c 48 0A 3 -2,-0.3 99,-1.6 97,-0.2 100,-1.2 -0.923 10.0-168.8-115.2 134.6 -10.0 -1.4 11.8 96 97 A M E -cd 49 195A 1 -48,-3.2 -46,-2.4 -2,-0.4 100,-0.2 -0.982 14.7-158.0-118.7 120.6 -6.4 -1.7 10.7 97 98 A V E -cd 50 196A 0 98,-2.2 100,-2.6 -2,-0.5 2,-0.4 -0.634 20.5-110.4 -98.9 159.5 -4.1 1.1 11.7 98 99 A D E - d 0 197A 0 -48,-0.6 2,-0.6 -2,-0.2 -45,-0.3 -0.705 26.3-155.3 -87.3 134.7 -0.8 2.1 10.1 99 100 A V E - d 0 198A 4 98,-3.7 100,-2.7 -2,-0.4 2,-0.7 -0.951 9.8-174.6-116.3 116.4 2.2 1.5 12.3 100 101 A V + 0 0 1 -2,-0.6 -35,-0.2 98,-0.2 98,-0.1 -0.794 29.2 136.3-113.1 89.0 5.2 3.7 11.4 101 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.3 3,-0.1 0.105 48.3 84.9-122.7 23.6 8.2 2.6 13.6 102 103 A N S S- 0 0 0 1,-0.3 68,-2.1 97,-0.1 2,-0.3 0.713 112.9 -5.5 -87.5 -23.9 11.1 2.6 11.2 103 104 A H B -I 169 0C 1 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.966 64.8-148.3-158.9 167.7 11.4 6.3 12.0 104 105 A S - 0 0 0 64,-1.9 -38,-0.2 -2,-0.3 2,-0.1 -0.731 40.5 -76.1-131.9-179.3 9.6 9.1 13.9 105 106 A S > - 0 0 0 -40,-2.9 3,-1.3 -2,-0.2 6,-0.3 -0.444 34.8-125.8 -76.2 155.9 9.3 12.9 13.4 106 107 A D T 3 S+ 0 0 23 60,-1.3 -1,-0.1 1,-0.3 61,-0.1 0.513 113.3 63.2 -79.6 -1.3 12.3 15.0 14.3 107 108 A Q T 3 S+ 0 0 84 59,-0.3 -1,-0.3 4,-0.1 -41,-0.1 0.387 75.5 115.7 -99.6 1.0 9.8 16.8 16.5 108 109 A H S <> S- 0 0 15 -3,-1.3 4,-2.2 -43,-0.2 3,-0.5 -0.447 77.6-121.7 -68.1 145.8 9.2 13.7 18.6 109 110 A E H > S+ 0 0 115 -43,-0.6 4,-1.8 1,-0.2 5,-0.2 0.786 111.5 61.4 -60.8 -26.3 10.3 14.2 22.2 110 111 A W H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 108.4 41.9 -66.1 -42.1 12.6 11.3 21.9 111 112 A F H > S+ 0 0 3 -3,-0.5 4,-2.4 -6,-0.3 -2,-0.2 0.881 109.3 57.3 -72.3 -38.4 14.5 13.0 19.1 112 113 A K H < S+ 0 0 99 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.905 115.8 38.4 -57.9 -39.9 14.5 16.4 20.8 113 114 A S H >X S+ 0 0 37 -4,-1.8 3,-1.6 -5,-0.2 4,-0.6 0.918 110.8 60.1 -74.6 -46.3 16.2 14.7 23.8 114 115 A S H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.3 6,-0.2 0.860 104.8 48.7 -50.2 -43.4 18.4 12.5 21.6 115 116 A R T 3< S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.578 89.4 84.9 -77.7 -9.4 20.1 15.4 19.9 116 117 A A T <4 S- 0 0 41 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.885 106.2 -26.2 -60.1 -42.0 20.9 17.3 23.1 117 118 A S X< - 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