==== 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 20-SEP-12 4H7V . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,R.HASER,N.AGHAJARI . 1110 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 725 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 6.0 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 . 55 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 21.6 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 4 8 3 3 0 0 2 4 1 5 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 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 . 5 2 0 2 0 0 1 1 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 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.2 -10.6 23.4 -9.5 2 4 A A - 0 0 55 1,-0.1 5,-0.1 2,-0.1 474,-0.0 -0.780 360.0-102.3 -95.0 141.7 -9.0 20.3 -7.9 3 5 A P >> - 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.212 35.7-110.1 -54.1 148.5 -8.4 17.1 -9.9 4 6 A W G >4 S+ 0 0 59 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.829 115.2 63.0 -51.1 -34.5 -10.9 14.4 -9.2 5 7 A W G 34 S+ 0 0 31 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.745 91.5 62.7 -71.1 -21.3 -8.3 12.3 -7.4 6 8 A K G <4 S+ 0 0 41 -3,-1.7 351,-0.3 1,-0.2 -1,-0.3 0.739 113.7 35.0 -72.6 -23.8 -7.7 14.9 -4.7 7 9 A S S << S+ 0 0 52 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.287 98.7 108.0-110.4 9.5 -11.3 14.5 -3.5 8 10 A A - 0 0 3 -3,-0.4 2,-0.5 -4,-0.4 36,-0.1 -0.507 59.8-143.0 -82.2 149.0 -11.6 10.7 -4.2 9 11 A V - 0 0 0 34,-0.2 36,-2.2 -2,-0.2 37,-1.1 -0.982 23.2-159.1-105.4 122.5 -11.7 7.9 -1.7 10 12 A F E -ab 46 360A 1 349,-2.5 351,-2.2 -2,-0.5 2,-0.4 -0.648 7.3-156.4 -96.8 157.7 -9.9 4.9 -3.0 11 13 A Y E -ab 47 361A 0 35,-1.5 37,-2.4 349,-0.2 2,-0.6 -0.994 14.4-138.1-130.3 131.3 -10.3 1.3 -1.9 12 14 A Q E -ab 48 362A 3 349,-3.1 351,-1.9 -2,-0.4 2,-0.5 -0.850 15.2-162.9 -96.3 132.0 -7.5 -1.2 -2.4 13 15 A V E -a 49 0A 0 35,-3.1 37,-1.8 -2,-0.6 3,-0.1 -0.919 13.0-160.6-114.2 125.1 -8.4 -4.7 -3.5 14 16 A Y > - 0 0 1 -2,-0.5 3,-2.3 35,-0.2 4,-0.4 -0.884 17.1-160.0 -98.9 98.2 -6.0 -7.5 -3.2 15 17 A P G >> S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.815 82.2 64.0 -61.4 -33.7 -7.8 -9.7 -5.8 16 18 A R G 34 S+ 0 0 29 1,-0.3 11,-3.2 10,-0.1 419,-0.2 0.760 117.0 28.4 -53.8 -28.5 -6.2 -13.0 -4.6 17 19 A S G <4 S+ 0 0 0 -3,-2.3 402,-2.8 9,-0.2 -1,-0.3 0.195 104.9 77.7-124.0 13.3 -8.0 -12.6 -1.2 18 20 A F T <4 S- 0 0 1 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.1 0.938 104.8 -17.6 -93.2 -66.1 -11.1 -10.6 -2.0 19 21 A K < - 0 0 33 -4,-0.6 9,-2.4 9,-0.2 12,-0.4 -0.926 52.6-157.7-148.3 122.6 -13.8 -12.9 -3.6 20 22 A D + 0 0 6 409,-2.4 7,-0.2 -2,-0.3 54,-0.0 -0.765 11.4 176.2 -94.7 141.2 -13.4 -16.3 -5.3 21 23 A T S S+ 0 0 56 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.433 73.3 49.0-124.4 0.6 -16.1 -17.4 -7.7 22 24 A N S S- 0 0 107 4,-0.3 408,-0.1 0, 0.0 -1,-0.0 0.081 101.9-112.6-127.9 24.4 -14.8 -20.8 -9.0 23 25 A G S S+ 0 0 26 1,-0.1 410,-0.4 409,-0.1 407,-0.1 0.558 83.0 117.1 63.0 11.7 -13.9 -22.7 -5.8 24 26 A D S S- 0 0 72 2,-0.3 -1,-0.1 408,-0.1 3,-0.1 0.437 84.4-117.6 -87.6 2.6 -10.1 -22.9 -6.3 25 27 A G S S+ 0 0 0 1,-0.2 410,-2.4 409,-0.1 2,-0.4 0.501 82.3 106.0 78.4 5.1 -9.7 -20.8 -3.1 26 28 A I S S- 0 0 22 408,-0.2 -5,-0.3 409,-0.1 -4,-0.3 -0.963 73.1-116.4-116.8 133.8 -8.1 -17.8 -4.9 27 29 A G - 0 0 0 -11,-3.2 -7,-0.3 -2,-0.4 2,-0.3 -0.213 38.8-174.8 -62.2 161.6 -10.0 -14.6 -5.5 28 30 A D > - 0 0 8 -9,-2.4 4,-2.3 1,-0.1 -9,-0.2 -0.877 40.0 -91.7-154.2 174.6 -10.6 -13.5 -9.0 29 31 A F H > S+ 0 0 0 45,-2.5 4,-2.9 -2,-0.3 5,-0.2 0.860 120.3 54.3 -65.5 -39.5 -12.0 -10.8 -11.4 30 32 A K H > S+ 0 0 31 44,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.910 109.4 50.4 -61.9 -38.2 -15.5 -12.2 -11.5 31 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.7 1,-0.2 -2,-0.2 0.942 112.5 44.7 -63.0 -50.0 -15.6 -12.1 -7.7 32 34 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 -13,-0.3 -2,-0.2 0.923 113.2 51.7 -55.5 -45.8 -14.4 -8.5 -7.6 33 35 A T H >< S+ 0 0 19 -4,-2.9 3,-1.3 1,-0.3 4,-0.3 0.886 105.2 55.4 -65.2 -34.5 -16.9 -7.6 -10.3 34 36 A E H 3< S+ 0 0 128 -4,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.677 107.9 51.4 -70.1 -15.8 -19.7 -9.2 -8.5 35 37 A K T S+ 0 0 0 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 0.872 78.2 56.8 -62.6 -39.0 -18.9 -3.6 -7.1 37 39 A D H > S+ 0 0 107 -4,-0.3 4,-3.0 -3,-0.2 -1,-0.2 0.907 105.5 53.5 -58.3 -38.1 -22.3 -2.7 -5.8 38 40 A Y H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.955 113.2 42.3 -60.1 -48.9 -20.9 -3.4 -2.2 39 41 A L H X>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-1.1 0.870 114.2 51.3 -65.4 -36.8 -18.0 -1.0 -2.9 40 42 A K H <5S+ 0 0 94 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.921 109.3 50.2 -65.8 -41.3 -20.2 1.6 -4.6 41 43 A G H <5S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.833 104.2 57.9 -66.8 -32.4 -22.6 1.5 -1.6 42 44 A L H <5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.805 122.2-110.8 -63.1 -28.4 -19.7 2.1 0.8 43 45 A G T <5 + 0 0 19 -4,-1.1 -34,-0.2 -3,-0.5 -3,-0.2 0.581 58.3 162.6 110.6 13.0 -19.0 5.2 -1.2 44 46 A I < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.2 -0.478 23.1-168.2 -75.3 134.9 -15.8 4.3 -3.0 45 47 A D + 0 0 40 -36,-2.2 48,-1.6 1,-0.3 2,-0.3 0.676 69.8 2.6 -91.1 -27.4 -14.8 6.4 -6.0 46 48 A A E -ac 10 93A 0 -37,-1.1 -35,-1.5 46,-0.3 2,-0.4 -0.978 63.7-138.2-162.7 147.4 -12.0 4.3 -7.4 47 49 A I E -ac 11 94A 0 46,-2.8 48,-3.4 -2,-0.3 2,-0.5 -0.913 5.2-151.9-114.8 140.3 -10.3 1.0 -6.7 48 50 A W E -ac 12 95A 1 -37,-2.4 -35,-3.1 -2,-0.4 2,-0.4 -0.958 18.3-159.7-102.2 126.9 -6.7 0.2 -6.8 49 51 A I E -ac 13 96A 0 46,-2.6 48,-0.6 -2,-0.5 -35,-0.2 -0.872 16.8-120.0-106.4 141.8 -6.0 -3.4 -7.6 50 52 A N - 0 0 1 -37,-1.8 47,-0.2 -2,-0.4 11,-0.1 -0.156 66.2 -46.2 -67.4 170.8 -2.8 -5.3 -6.9 51 53 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 47,-0.1 -0.131 53.4-179.4 -57.5 140.2 -0.9 -6.8 -9.8 52 54 A H + 0 0 0 45,-0.3 19,-3.0 -3,-0.2 2,-0.1 0.148 41.1 113.1-122.2 13.3 -3.2 -8.6 -12.2 53 55 A Y E S-I 70 0B 2 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.469 81.1 -73.3 -91.3 158.0 -0.6 -9.8 -14.8 54 56 A A E +I 66 0B 21 15,-2.2 11,-1.9 12,-0.7 12,-1.0 -0.214 67.9 162.4 -44.8 130.6 0.7 -13.2 -15.8 55 57 A S - 0 0 15 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.979 53.5-135.3-159.2 136.7 2.9 -14.3 -13.0 56 58 A P - 0 0 58 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.517 51.0-130.5 -68.2 -9.1 4.5 -17.5 -11.6 57 59 A N > + 0 0 30 6,-0.5 3,-0.9 1,-0.1 7,-0.1 0.718 64.0 140.1 65.3 30.6 3.4 -16.0 -8.2 58 60 A T T 3 S+ 0 0 37 1,-0.3 325,-0.3 5,-0.2 -1,-0.1 0.822 94.3 22.6 -68.2 -24.2 6.7 -16.4 -6.3 59 61 A D T > S- 0 0 9 4,-0.1 3,-2.1 106,-0.1 -1,-0.3 -0.183 121.0 -99.1-133.6 43.6 5.6 -13.0 -5.0 60 62 A N T < S- 0 0 24 -3,-0.9 -44,-0.1 1,-0.3 -2,-0.1 0.873 94.8 -30.6 43.3 57.5 1.8 -13.1 -5.5 61 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.3 0.183 116.3 100.2 96.4 -20.8 1.8 -11.0 -8.7 62 64 A Y S < S+ 0 0 13 -3,-2.1 2,-0.6 1,-0.2 -2,-0.1 0.455 75.2 68.4 -81.1 1.9 4.8 -8.8 -8.1 63 65 A D S S- 0 0 0 -10,-0.1 -6,-0.5 -12,-0.1 2,-0.5 -0.886 78.2-166.8-117.2 96.1 6.9 -11.2 -10.4 64 66 A I + 0 0 0 -2,-0.6 40,-2.2 38,-0.3 -9,-0.3 -0.731 23.1 179.6 -98.7 124.2 5.4 -10.6 -13.8 65 67 A S S S+ 0 0 29 -11,-1.9 43,-0.5 -2,-0.5 2,-0.2 0.500 81.5 18.0 -99.6 -4.4 6.2 -12.9 -16.7 66 68 A D E > -I 54 0B 62 -12,-1.0 3,-1.0 3,-0.2 -12,-0.7 -0.736 59.6-163.5-164.9 113.9 4.0 -11.1 -19.3 67 69 A Y E 3 S+ 0 0 7 1,-0.2 -1,-0.0 -2,-0.2 -12,-0.0 0.566 89.5 54.8 -78.5 -10.8 2.9 -7.5 -18.8 68 70 A R E 3 S+ 0 0 94 2,-0.1 2,-0.4 -15,-0.0 -1,-0.2 0.216 98.2 72.1-111.0 17.2 0.2 -7.7 -21.5 69 71 A E E < S- 0 0 99 -3,-1.0 -15,-2.2 -15,-0.1 2,-0.2 -0.978 79.5-115.8-129.9 151.5 -1.7 -10.7 -20.2 70 72 A V E -I 53 0B 13 -2,-0.4 -17,-0.3 -17,-0.3 2,-0.2 -0.503 41.9 -95.1 -80.8 145.8 -3.9 -11.2 -17.3 71 73 A M >> - 0 0 0 -19,-3.0 3,-1.7 -2,-0.2 4,-1.0 -0.423 32.0-132.3 -60.2 128.2 -2.9 -13.6 -14.5 72 74 A K G >4 S+ 0 0 82 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.855 103.9 58.4 -53.1 -42.0 -4.5 -16.9 -15.2 73 75 A E G 34 S+ 0 0 71 1,-0.2 -1,-0.3 -45,-0.1 3,-0.1 0.774 107.4 47.1 -63.5 -26.9 -5.8 -17.3 -11.6 74 76 A Y G <4 S- 0 0 4 -3,-1.7 -45,-2.5 1,-0.3 -44,-0.5 0.665 117.4-103.0 -91.6 -14.4 -7.8 -14.0 -11.9 75 77 A G << - 0 0 20 -4,-1.0 -1,-0.3 -3,-0.7 2,-0.2 -0.953 46.5 -46.5 133.7-154.2 -9.4 -14.7 -15.2 76 78 A T > - 0 0 74 -2,-0.4 4,-1.7 -3,-0.1 3,-0.4 -0.642 55.2 -96.7-116.0 172.5 -9.0 -13.7 -18.8 77 79 A M H > S+ 0 0 40 1,-0.2 4,-3.1 -2,-0.2 5,-0.2 0.887 125.6 60.7 -57.6 -37.2 -8.5 -10.3 -20.5 78 80 A E H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 102.7 49.4 -53.8 -44.3 -12.3 -10.4 -21.1 79 81 A D H > S+ 0 0 44 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.860 111.0 49.7 -64.5 -37.8 -12.9 -10.5 -17.3 80 82 A F H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.928 111.1 49.6 -65.0 -42.1 -10.6 -7.6 -16.9 81 83 A D H X S+ 0 0 64 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.905 110.9 49.9 -62.1 -40.9 -12.5 -5.7 -19.7 82 84 A R H X S+ 0 0 113 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.922 107.0 54.6 -65.6 -44.2 -15.8 -6.6 -17.9 83 85 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.947 111.3 45.2 -50.9 -52.1 -14.4 -5.3 -14.6 84 86 A M H X S+ 0 0 22 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.954 113.3 49.0 -59.5 -48.3 -13.6 -1.9 -16.2 85 87 A A H X S+ 0 0 49 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.907 112.7 47.9 -58.7 -42.0 -16.9 -1.7 -18.0 86 88 A E H X S+ 0 0 41 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.870 111.3 50.4 -71.2 -34.8 -18.8 -2.5 -14.7 87 89 A L H ><>S+ 0 0 2 -4,-2.6 5,-2.8 -5,-0.3 3,-0.6 0.919 110.9 49.8 -59.2 -44.1 -16.7 0.1 -12.8 88 90 A K H ><5S+ 0 0 169 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.882 102.2 61.0 -69.8 -30.4 -17.5 2.7 -15.4 89 91 A K H 3<5S+ 0 0 153 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.863 108.5 45.3 -59.0 -34.2 -21.2 1.8 -15.3 90 92 A R T <<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.264 118.6-109.0 -99.8 11.2 -21.0 2.9 -11.6 91 93 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.741 77.6 134.9 71.6 24.1 -19.0 6.1 -12.2 92 94 A M < - 0 0 7 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.729 44.8-138.6-109.5 155.0 -16.1 4.4 -10.6 93 95 A R E -c 46 0A 90 -48,-1.6 -46,-2.8 -2,-0.3 2,-0.5 -0.772 4.8-135.8-117.4 155.4 -12.4 4.3 -11.7 94 96 A L E -c 47 0A 6 -2,-0.3 99,-1.6 97,-0.2 100,-1.1 -0.933 11.6-170.9-110.0 131.2 -9.7 1.7 -11.8 95 97 A M E -cd 48 194A 0 -48,-3.4 -46,-2.6 -2,-0.5 2,-0.3 -0.975 15.3-158.1-110.2 131.4 -6.1 2.1 -10.7 96 98 A V E -cd 49 195A 0 98,-2.4 100,-2.9 -2,-0.5 2,-0.3 -0.735 19.0-111.6-106.4 160.6 -3.7 -0.7 -11.6 97 99 A D E - d 0 196A 0 -48,-0.6 2,-0.5 -2,-0.3 -45,-0.3 -0.719 25.0-156.9 -88.3 136.6 -0.4 -1.7 -10.1 98 100 A V E - d 0 197A 3 98,-3.4 100,-2.7 -2,-0.3 2,-0.7 -0.978 8.5-174.2-120.4 119.2 2.7 -1.2 -12.3 99 101 A V + 0 0 1 -2,-0.5 -35,-0.2 98,-0.2 100,-0.1 -0.860 29.4 138.0-116.4 89.0 5.7 -3.3 -11.3 100 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.203 49.0 84.9-128.2 19.3 8.6 -2.2 -13.5 101 103 A N S S- 0 0 0 1,-0.3 68,-2.3 97,-0.2 2,-0.3 0.773 112.2 -3.7 -73.4 -30.1 11.5 -2.2 -11.2 102 104 A H B -J 168 0C 6 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.966 63.9-147.3-157.9 156.7 11.8 -5.9 -12.0 103 105 A S - 0 0 0 64,-1.9 -38,-0.2 -2,-0.3 2,-0.1 -0.739 40.2 -82.8-115.2 176.3 10.2 -8.7 -13.9 104 106 A S > - 0 0 0 -40,-2.2 3,-1.0 -2,-0.2 6,-0.3 -0.406 36.0-121.2 -65.7 154.5 9.8 -12.4 -13.2 105 107 A D T 3 S+ 0 0 29 60,-1.6 -1,-0.1 1,-0.2 61,-0.1 0.483 114.0 65.1 -73.6 -2.0 12.8 -14.5 -14.3 106 108 A Q T 3 S+ 0 0 82 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.425 73.1 114.2 -96.5 -3.0 10.3 -16.3 -16.5 107 109 A H S X> S- 0 0 13 -3,-1.0 4,-2.2 -43,-0.2 3,-0.6 -0.448 77.4-124.7 -62.9 141.3 9.7 -13.2 -18.6 108 110 A E H 3> S+ 0 0 122 -43,-0.5 4,-2.5 1,-0.3 5,-0.2 0.795 109.3 64.3 -62.5 -30.4 10.9 -13.8 -22.1 109 111 A W H 3> S+ 0 0 28 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.917 108.2 41.0 -57.1 -41.8 13.1 -10.7 -21.9 110 112 A F H <> S+ 0 0 5 -3,-0.6 4,-2.3 -6,-0.3 -2,-0.2 0.888 109.4 57.7 -78.1 -37.5 15.0 -12.5 -19.1 111 113 A K H < S+ 0 0 95 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.909 115.7 38.1 -56.7 -40.3 15.0 -15.8 -20.8 112 114 A S H >X S+ 0 0 39 -4,-2.5 3,-2.1 1,-0.2 4,-0.5 0.930 111.3 58.6 -71.2 -49.0 16.7 -14.1 -23.8 113 115 A S H 3< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.3 6,-0.2 0.846 104.2 52.8 -49.3 -37.8 19.0 -11.8 -21.6 114 116 A R T 3< S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.655 88.5 82.3 -78.2 -10.7 20.5 -14.8 -19.9 115 117 A A T <4 S- 0 0 40 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.876 105.9 -25.3 -65.3 -42.8 21.5 -16.6 -23.1 116 118 A S >< - 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0 0 7 -4,-0.4 -2,-0.3 -5,-0.4 -1,-0.2 -0.965 48.4-144.6-144.8 159.6 -14.8 -19.3 -1.4 431 433 A T S S+ 0 0 139 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.1 0.497 94.0 45.3 -97.6 -8.3 -16.7 -22.6 -1.7 432 434 A G S S- 0 0 25 1,-0.1 -2,-0.2 -6,-0.1 -408,-0.1 -0.027 113.9 -50.7-108.0-147.1 -13.4 -24.5 -1.7 433 435 A K - 0 0 104 -410,-0.4 -2,-0.1 -2,-0.1 -1,-0.1 -0.840 59.7-125.0 -94.7 115.8 -10.3 -24.3 0.4 434 436 A P - 0 0 16 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.269 11.9-125.6 -68.5 149.0 -8.9 -20.8 0.7 435 437 A W S S+ 0 0 61 -410,-2.4 2,-0.3 -419,-0.2 -409,-0.1 0.812 103.6 23.2 -63.0 -31.0 -5.3 -20.2 -0.3 436 438 A L S S- 0 0 19 -411,-0.3 -1,-0.1 -20,-0.1 -57,-0.1 -0.951 105.1 -98.0-124.8 148.0 -4.7 -18.6 3.1 437 439 A K - 0 0 109 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.324 34.9-112.6 -68.5 151.4 -7.0 -19.5 6.1 438 440 A V - 0 0 13 -21,-0.1 -1,-0.1 1,-0.1 -19,-0.1 -0.541 36.2-103.9 -77.2 142.4 -9.9 -17.3 7.1 439 441 A N > - 0 0 4 -21,-0.4 3,-1.9 -2,-0.2 -1,-0.1 -0.572 25.8-131.0 -64.4 127.1 -9.5 -15.6 10.4 440 442 A P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.649 101.2 76.3 -52.1 -20.7 -11.8 -17.5 12.9 441 443 A N G >> + 0 0 38 1,-0.2 4,-2.6 2,-0.1 3,-1.5 0.423 64.4 96.8 -75.9 3.5 -13.2 -14.1 14.0 442 444 A Y G <4 + 0 0 51 -3,-1.9 -1,-0.2 1,-0.3 -3,-0.0 0.714 69.5 70.4 -65.1 -20.0 -15.3 -14.0 10.8 443 445 A T G <4 S+ 0 0 91 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.880 115.8 24.1 -61.2 -32.9 -18.2 -15.3 12.8 444 446 A E T <4 S+ 0 0 63 -3,-1.5 2,-0.7 1,-0.2 -2,-0.2 0.760 123.8 52.0 -99.4 -32.9 -18.3 -11.9 14.5 445 447 A I S < S+ 0 0 3 -4,-2.6 2,-0.3 -23,-0.1 -1,-0.2 -0.894 73.7 124.7-114.2 104.5 -16.7 -9.6 11.9 446 448 A N > - 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