==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)09-OCT-91 1XLK . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR C.A.COLLYER,K.HENRICK,D.M.BLOW . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 40 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 8 1 2 0 2 2 1 3 1 3 0 0 0 0 2 0 1 1 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 8 3 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 . 4 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 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 V 0 0 96 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 110.8 35.7 65.1 34.8 2 3 A Q - 0 0 76 313,-0.1 2,-0.1 309,-0.0 43,-0.1 -0.997 360.0-130.5-131.0 124.8 33.6 68.2 35.5 3 4 A P - 0 0 28 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.459 23.0-168.9 -73.1 147.3 33.6 71.0 33.0 4 5 A T >> - 0 0 72 -2,-0.1 3,-3.3 1,-0.0 4,-0.5 -0.983 41.6-102.3-129.7 153.8 34.2 74.5 34.4 5 6 A P G >4 S+ 0 0 77 0, 0.0 3,-1.0 0, 0.0 42,-0.1 0.739 119.8 69.6 -42.8 -27.6 33.8 77.8 32.5 6 7 A A G 34 S+ 0 0 78 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.613 86.1 65.2 -60.2 -25.1 37.7 77.7 32.3 7 8 A D G <4 S- 0 0 37 -3,-3.3 -1,-0.3 38,-0.2 281,-0.2 0.715 100.6-139.0 -76.9 -31.6 37.4 74.8 29.8 8 9 A H << + 0 0 61 -3,-1.0 280,-2.6 -4,-0.5 2,-0.5 0.860 33.9 171.9 68.8 41.9 35.7 77.2 27.3 9 10 A F E -a 288 0A 2 36,-0.3 38,-2.8 -5,-0.2 39,-1.5 -0.726 8.8-173.3 -82.9 121.3 33.1 74.8 26.1 10 11 A T E -ab 289 48A 0 278,-1.7 280,-2.3 -2,-0.5 2,-0.3 -0.818 5.0-168.5-116.1 152.4 30.6 76.8 23.9 11 12 A F E -ab 290 49A 0 37,-1.2 39,-1.5 -2,-0.3 2,-0.3 -0.979 20.7-121.2-136.3 149.8 27.4 75.4 22.4 12 13 A G E >> - b 0 50A 0 278,-0.9 4,-1.0 -2,-0.3 3,-0.9 -0.677 17.1-128.1 -95.0 159.9 25.0 76.8 19.7 13 14 A L H 3> S+ 0 0 10 37,-2.5 4,-1.6 -2,-0.3 38,-0.1 0.843 111.5 56.6 -67.9 -37.1 21.4 77.5 20.5 14 15 A W H 34 S+ 0 0 35 36,-0.3 -1,-0.3 3,-0.2 5,-0.1 0.648 99.8 63.2 -69.1 -20.7 20.4 75.5 17.4 15 16 A T H X4 S+ 0 0 0 -3,-0.9 3,-1.5 2,-0.2 -2,-0.2 0.975 116.7 22.3 -70.8 -70.1 22.3 72.5 18.7 16 17 A V H 3< S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.837 124.7 60.5 -70.6 -24.8 20.4 71.6 21.9 17 18 A G T 3< S+ 0 0 17 -4,-1.6 2,-0.4 -5,-0.3 15,-0.4 0.470 72.7 126.0 -76.5 -7.9 17.5 73.5 20.3 18 19 A W < - 0 0 51 -3,-1.5 -3,-0.1 1,-0.2 -4,-0.0 -0.399 47.4-160.5 -61.8 118.2 17.4 71.1 17.3 19 20 A T - 0 0 29 -2,-0.4 9,-2.2 -5,-0.1 10,-2.0 0.606 39.7-103.8 -80.2 -13.5 13.8 69.9 17.2 20 21 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 276,-0.1 0.386 66.6 145.4 106.0 -4.1 14.3 66.8 15.1 21 22 A A + 0 0 50 8,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.461 17.9 163.9 -72.9 133.0 13.1 67.6 11.7 22 23 A D B > -J 25 0B 68 3,-2.3 3,-0.9 -2,-0.3 5,-0.0 -0.720 55.9 -83.2-130.4-176.5 15.2 65.9 9.0 23 24 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.690 128.8 40.9 -65.6 -23.1 14.4 65.3 5.3 24 25 A F T 3 S+ 0 0 202 1,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.405 121.1 25.3-108.0 5.7 12.3 62.2 6.0 25 26 A G B < -J 22 0B 24 -3,-0.9 -3,-2.3 -5,-0.0 -1,-0.2 -0.995 68.8-102.5-167.4 164.3 10.4 63.5 9.0 26 27 A V - 0 0 119 -2,-0.3 -2,-0.0 -5,-0.2 0, 0.0 -0.318 57.7 -71.5 -84.5 166.5 9.0 66.1 11.3 27 28 A A - 0 0 41 1,-0.1 -7,-0.3 -2,-0.1 -1,-0.2 -0.213 32.9-165.2 -52.9 147.9 10.3 67.5 14.6 28 29 A T S S+ 0 0 51 -9,-2.2 2,-0.3 270,-0.1 -8,-0.2 0.343 70.8 57.6-114.8 -4.9 10.1 65.0 17.6 29 30 A R S S- 0 0 16 -10,-2.0 -8,-0.1 270,-0.1 3,-0.1 -0.948 85.1-110.7-126.1 148.0 10.7 67.7 20.3 30 31 A K - 0 0 73 -2,-0.3 -2,-0.1 1,-0.2 2,-0.0 -0.254 52.0 -82.7 -71.6 159.9 9.0 71.0 21.2 31 32 A N - 0 0 147 1,-0.1 2,-0.4 -2,-0.0 -1,-0.2 -0.323 45.4-122.1 -65.1 152.4 10.8 74.2 20.5 32 33 A L - 0 0 27 -15,-0.4 -1,-0.1 -3,-0.1 -15,-0.1 -0.837 16.2-127.2 -95.8 135.6 13.3 75.3 23.2 33 34 A D > - 0 0 88 -2,-0.4 4,-1.7 1,-0.1 3,-0.5 -0.686 17.6-135.3 -77.3 134.8 12.9 78.7 24.9 34 35 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.818 102.4 58.3 -57.9 -37.2 16.3 80.5 24.6 35 36 A V H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.884 108.4 44.9 -60.1 -46.2 16.2 81.6 28.2 36 37 A E H > S+ 0 0 82 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.843 108.5 56.9 -68.3 -35.8 16.1 78.0 29.4 37 38 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.967 110.7 45.7 -58.0 -55.0 18.8 77.0 26.9 38 39 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.815 115.6 44.3 -54.6 -48.7 21.1 79.6 28.5 39 40 A H H X S+ 0 0 68 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.926 114.1 49.7 -68.6 -47.9 20.2 78.6 32.1 40 41 A K H X S+ 0 0 56 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.883 112.6 45.9 -58.5 -44.9 20.5 74.9 31.5 41 42 A L H X>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-1.3 0.816 108.9 57.0 -66.0 -39.8 23.9 75.1 29.8 42 43 A A H ><5S+ 0 0 29 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.919 107.8 47.9 -60.0 -48.3 25.1 77.4 32.6 43 44 A E H 3<5S+ 0 0 147 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.774 109.1 55.0 -67.4 -27.9 24.3 74.7 35.1 44 45 A L H 3<5S- 0 0 32 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.739 124.7 -95.8 -77.5 -26.2 26.1 72.0 33.0 45 46 A G T <<5 + 0 0 10 -4,-1.3 -36,-0.3 -3,-0.6 -38,-0.2 0.341 66.4 157.1 126.5 -1.8 29.4 73.9 32.9 46 47 A A < - 0 0 4 -5,-2.3 -1,-0.2 1,-0.1 -36,-0.2 -0.088 33.5-157.0 -58.6 151.9 29.3 75.8 29.6 47 48 A Y S S- 0 0 62 -38,-2.8 36,-1.6 1,-0.3 2,-0.3 0.767 70.4 -13.5 -96.1 -41.7 31.4 78.9 29.2 48 49 A G E -bc 10 83A 0 -39,-1.5 -37,-1.2 34,-0.2 -1,-0.3 -0.980 53.0-124.1-163.5 171.8 29.2 80.3 26.5 49 50 A I E -b 11 0A 0 34,-1.9 37,-0.5 -2,-0.3 2,-0.3 -0.768 18.3-164.6-119.2 153.7 26.5 80.2 23.9 50 51 A T E -bc 12 86A 0 -39,-1.5 -37,-2.5 -2,-0.3 2,-0.3 -0.959 10.8-176.7-137.8 156.2 26.4 81.0 20.1 51 52 A F E - c 0 87A 0 35,-0.9 37,-2.3 -2,-0.3 2,-0.4 -0.983 30.2-121.6-151.9 166.9 23.6 81.6 17.7 52 53 A H E >> - c 0 88A 19 -2,-0.3 3,-2.8 35,-0.2 4,-0.9 -0.911 44.7-110.8 -97.6 139.5 22.5 82.3 14.1 53 54 A D H >> S+ 0 0 17 35,-1.8 4,-2.5 -2,-0.4 3,-1.2 0.815 118.4 45.9 -39.3 -59.2 20.5 85.6 13.9 54 55 A N H 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.454 97.2 70.5 -70.8 -1.7 17.2 83.6 13.1 55 56 A D H <4 S+ 0 0 56 -3,-2.8 -1,-0.3 3,-0.1 -2,-0.2 0.832 119.3 20.8 -76.8 -34.3 17.7 81.0 15.9 56 57 A L H << S+ 0 0 8 -3,-1.2 -2,-0.2 -4,-0.9 -3,-0.1 0.825 130.5 41.5 -95.1 -56.5 16.9 83.8 18.3 57 58 A I S < S- 0 0 12 -4,-2.5 -1,-0.2 -5,-0.3 9,-0.1 -0.913 86.3-124.5-110.8 114.6 15.0 86.4 16.2 58 59 A P > - 0 0 62 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.151 22.4-115.9 -55.3 148.7 12.4 85.2 13.8 59 60 A F T 3 S+ 0 0 89 1,-0.3 -5,-0.0 -5,-0.2 -2,-0.0 0.859 115.9 37.6 -48.4 -50.1 12.9 86.2 10.1 60 61 A D T 3 S+ 0 0 135 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.219 84.2 143.1 -88.4 3.5 9.6 88.2 10.2 61 62 A A < - 0 0 25 -3,-1.7 -4,-0.0 1,-0.1 2,-0.0 -0.244 46.5-132.4 -52.6 131.1 9.9 89.6 13.7 62 63 A T > - 0 0 79 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.248 31.1-100.9 -74.3 172.8 8.5 93.2 14.2 63 64 A E H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.860 122.6 53.2 -66.0 -36.2 10.8 95.6 16.1 64 65 A A H >> S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 3,-0.8 0.998 110.6 48.8 -66.6 -56.7 8.8 95.3 19.4 65 66 A E H 3> S+ 0 0 102 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.904 110.0 51.2 -46.4 -49.1 9.2 91.5 19.2 66 67 A R H 3X S+ 0 0 90 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.845 110.7 48.3 -59.6 -40.0 13.0 91.8 18.5 67 68 A E H S- 0 0 75 -4,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.418 86.9-117.3 -68.6 146.2 14.3 80.8 3.8 95 96 A P G > S+ 0 0 96 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.825 110.3 69.9 -50.7 -32.6 13.3 80.0 0.2 96 97 A V G 3 S+ 0 0 41 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.859 95.1 56.9 -55.3 -35.4 14.9 83.2 -1.1 97 98 A F G X + 0 0 1 -3,-1.9 3,-2.3 1,-0.2 -1,-0.3 0.297 69.6 115.7 -81.0 12.9 18.3 81.6 -0.3 98 99 A K T < S+ 0 0 161 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.689 85.9 34.6 -57.3 -27.3 17.7 78.5 -2.5 99 100 A D T 3 S- 0 0 34 1,-0.6 41,-0.4 -3,-0.5 -1,-0.3 0.146 130.1 -84.8-109.9 8.5 20.6 79.4 -4.8 100 101 A G < - 0 0 0 -3,-2.3 -1,-0.6 39,-0.1 39,-0.1 -0.606 27.1-111.4 114.2 175.2 22.8 80.9 -2.1 101 102 A G S > S+ 0 0 0 -2,-0.2 3,-1.2 -3,-0.1 12,-0.2 0.614 109.9 23.5-111.2 -80.7 23.1 84.3 -0.4 102 103 A F T 3 S+ 0 0 13 1,-0.2 57,-0.1 11,-0.1 -2,-0.1 0.713 135.6 35.9 -59.7 -31.8 26.5 85.7 -1.5 103 104 A T T 3 S+ 0 0 4 52,-0.1 -1,-0.2 -4,-0.1 37,-0.1 0.029 80.2 136.5-116.1 23.0 26.7 83.6 -4.7 104 105 A S < - 0 0 3 -3,-1.2 -4,-0.1 2,-0.2 -3,-0.1 -0.374 59.1-130.9 -60.9 151.3 23.1 83.5 -5.7 105 106 A N S S+ 0 0 105 -5,-0.1 2,-0.5 41,-0.0 -1,-0.1 0.841 92.1 82.8 -74.6 -38.5 22.7 84.1 -9.6 106 107 A D S > S- 0 0 79 1,-0.1 4,-2.2 2,-0.0 -2,-0.2 -0.513 71.8-155.1 -73.5 120.7 20.0 86.7 -8.7 107 108 A R H > S+ 0 0 157 -2,-0.5 4,-2.1 2,-0.2 -1,-0.1 0.877 90.9 55.6 -66.8 -35.7 21.7 90.1 -7.8 108 109 A S H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.968 109.4 49.0 -67.9 -45.6 18.9 91.5 -5.6 109 110 A I H > S+ 0 0 29 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.944 107.7 54.2 -55.5 -45.2 19.2 88.3 -3.4 110 111 A R H X S+ 0 0 54 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.929 111.8 46.1 -53.8 -45.0 23.0 88.8 -3.3 111 112 A R H X S+ 0 0 155 -4,-2.1 4,-3.0 -3,-0.3 5,-0.3 0.938 110.9 50.5 -64.6 -48.1 22.3 92.3 -1.9 112 113 A F H X S+ 0 0 89 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.960 111.0 50.7 -54.5 -49.3 19.7 91.2 0.6 113 114 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.946 111.8 45.7 -56.5 -48.8 22.1 88.6 1.8 114 115 A L H X S+ 0 0 32 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.919 113.4 49.1 -64.8 -40.0 25.0 91.0 2.3 115 116 A A H X S+ 0 0 39 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.966 109.9 53.2 -60.2 -49.9 22.7 93.6 4.0 116 117 A K H X S+ 0 0 22 -4,-3.3 4,-1.3 -5,-0.3 -1,-0.2 0.828 111.3 46.1 -52.1 -40.8 21.4 90.8 6.3 117 118 A V H X S+ 0 0 2 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.894 109.6 53.6 -71.5 -49.3 25.1 90.0 7.2 118 119 A L H X S+ 0 0 39 -4,-2.8 4,-1.4 2,-0.2 3,-0.2 0.922 109.4 47.0 -55.6 -48.5 26.1 93.6 7.8 119 120 A H H >X S+ 0 0 134 -4,-2.3 4,-2.1 1,-0.2 3,-0.6 0.956 110.5 53.9 -58.1 -49.3 23.3 94.2 10.3 120 121 A N H 3X S+ 0 0 6 -4,-1.3 4,-2.7 -5,-0.3 -1,-0.2 0.858 101.3 59.3 -59.8 -30.7 24.2 90.9 12.0 121 122 A I H 3X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.2 -1,-0.2 0.915 104.9 50.9 -61.6 -40.2 27.9 92.2 12.4 122 123 A D H S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 4,-0.5 0.896 110.3 48.5 -54.5 -45.5 27.5 90.4 17.1 125 126 A A H ><5S+ 0 0 27 -4,-2.2 3,-1.6 2,-0.2 -1,-0.2 0.961 110.8 50.5 -62.1 -49.8 29.5 93.5 18.2 126 127 A E H 3<5S+ 0 0 131 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.925 108.8 53.9 -56.3 -44.8 26.7 94.5 20.7 127 128 A M T 3<5S- 0 0 21 -4,-3.1 -43,-0.3 -5,-0.1 -1,-0.3 0.485 113.5-115.5 -67.7 -10.6 26.8 90.9 22.1 128 129 A G T < 5 + 0 0 38 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.575 57.6 157.9 84.7 8.5 30.6 90.9 22.8 129 130 A A < - 0 0 4 -5,-1.8 -1,-0.2 1,-0.1 -43,-0.2 -0.361 31.8-163.5 -63.5 149.3 31.5 88.1 20.3 130 131 A E S S+ 0 0 96 -45,-1.4 45,-1.7 1,-0.1 2,-0.4 0.622 74.3 55.0 -96.4 -29.4 35.1 88.0 19.1 131 132 A T E -de 86 175A 7 -46,-1.7 -44,-1.5 43,-0.2 2,-0.5 -0.937 58.1-165.6-119.6 137.1 34.3 85.7 16.1 132 133 A F E -de 87 176A 0 43,-2.5 45,-2.6 -2,-0.4 2,-0.4 -0.981 20.7-155.4-117.4 108.1 31.8 86.1 13.2 133 134 A V E -de 88 177A 2 -46,-1.5 -44,-0.7 -2,-0.5 2,-0.5 -0.738 9.3-163.3 -95.3 141.1 31.3 82.8 11.3 134 135 A M E - e 0 178A 23 43,-2.4 45,-2.1 -2,-0.4 2,-0.6 -0.976 7.1-179.2-120.0 116.4 30.2 82.4 7.7 135 136 A W - 0 0 42 -2,-0.5 2,-1.6 -46,-0.3 -44,-0.3 -0.899 13.2-159.9-112.8 99.8 28.9 78.9 6.7 136 137 A G > + 0 0 24 -2,-0.6 3,-1.4 43,-0.4 54,-0.3 -0.415 28.5 157.1 -83.2 64.5 28.0 79.2 3.0 137 138 A G T 3 S+ 0 0 1 -2,-1.6 49,-0.7 1,-0.3 -1,-0.2 0.616 72.3 43.2 -58.2 -25.9 25.7 76.1 2.9 138 139 A R T 3 S+ 0 0 74 -47,-0.3 2,-0.9 -3,-0.2 -1,-0.3 0.449 86.7 107.1-104.3 2.2 23.6 77.2 -0.2 139 140 A E < + 0 0 4 -3,-1.4 51,-2.3 51,-0.1 2,-0.3 -0.711 68.2 44.8 -80.1 108.0 26.6 78.4 -2.2 140 141 A G E S-K 189 0C 0 -2,-0.9 2,-0.3 -41,-0.4 49,-0.2 -0.974 76.3-101.1 157.4-151.8 27.2 75.8 -4.9 141 142 A S E -K 188 0C 7 47,-1.9 47,-1.6 -2,-0.3 46,-0.1 -0.948 7.7-141.1-160.2 167.9 25.2 73.8 -7.5 142 143 A E S S+ 0 0 83 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.470 95.9 44.8-103.3 -26.8 23.7 70.4 -8.2 143 144 A Y S > S- 0 0 166 1,-0.1 3,-1.1 45,-0.1 4,-0.2 -0.917 80.7-128.5-123.5 141.9 24.7 70.6 -11.9 144 145 A D G > S+ 0 0 137 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.807 104.0 53.0 -68.0 -29.7 27.9 71.7 -13.5 145 146 A G G 3 S+ 0 0 80 1,-0.2 -1,-0.2 3,-0.1 -4,-0.0 0.402 85.1 88.0 -88.1 6.0 26.4 74.3 -16.0 146 147 A S G < S+ 0 0 48 -3,-1.1 2,-0.3 2,-0.0 -1,-0.2 0.636 89.6 39.6 -68.7 -21.9 24.5 76.3 -13.3 147 148 A K < - 0 0 20 -3,-0.5 2,-0.8 -4,-0.2 3,-0.0 -0.959 68.9-131.7-133.6 150.8 27.3 78.6 -12.4 148 149 A D > - 0 0 110 -2,-0.3 4,-2.5 1,-0.1 -3,-0.1 -0.937 34.5-155.8 -98.2 108.3 30.1 80.6 -13.9 149 150 A L H > S+ 0 0 82 -2,-0.8 4,-1.3 2,-0.2 -1,-0.1 0.712 85.9 50.3 -66.8 -29.9 32.6 79.4 -11.4 150 151 A A H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 113.9 47.7 -77.2 -39.7 35.1 82.3 -11.6 151 152 A A H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.909 105.0 60.0 -67.5 -37.6 32.2 84.7 -11.1 152 153 A A H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 109.7 43.2 -55.7 -46.4 30.9 82.5 -8.2 153 154 A L H X S+ 0 0 70 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.787 111.7 52.0 -71.5 -31.1 34.3 83.2 -6.4 154 155 A D H X S+ 0 0 63 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.956 112.7 46.6 -67.7 -46.7 34.4 87.0 -7.3 155 156 A R H X S+ 0 0 76 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.933 112.5 49.7 -60.3 -44.4 30.9 87.3 -5.8 156 157 A M H X S+ 0 0 16 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.947 113.6 47.0 -55.2 -53.2 32.0 85.3 -2.7 157 158 A R H X S+ 0 0 85 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.882 108.5 54.5 -55.8 -45.8 35.0 87.6 -2.3 158 159 A E H X S+ 0 0 102 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.924 111.6 44.2 -60.7 -45.1 33.0 90.7 -2.8 159 160 A G H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.921 116.7 44.7 -68.3 -47.5 30.6 89.8 0.1 160 161 A V H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.928 115.6 46.9 -62.7 -43.2 33.4 88.6 2.5 161 162 A D H X S+ 0 0 18 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.906 111.0 52.6 -67.9 -36.6 35.7 91.7 1.8 162 163 A T H X S+ 0 0 60 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.868 110.6 48.0 -62.5 -42.2 32.7 94.1 2.2 163 164 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.874 115.4 43.7 -63.3 -45.1 31.9 92.5 5.6 164 165 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.829 111.1 54.4 -68.9 -38.0 35.6 92.8 6.7 165 166 A G H X S+ 0 0 12 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.986 108.8 49.7 -60.4 -56.3 35.8 96.3 5.3 166 167 A Y H X S+ 0 0 51 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.928 109.7 50.7 -51.6 -49.3 32.8 97.2 7.5 167 168 A I H X>S+ 0 0 3 -4,-2.0 5,-1.3 2,-0.2 4,-0.9 0.929 113.0 45.7 -54.8 -50.8 34.4 95.6 10.6 168 169 A K H ><5S+ 0 0 80 -4,-2.3 3,-1.7 2,-0.2 -2,-0.2 0.985 113.9 49.5 -57.7 -58.0 37.6 97.6 10.1 169 170 A D H 3<5S+ 0 0 143 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.805 113.9 44.6 -47.2 -46.2 35.7 100.8 9.4 170 171 A K H 3<5S- 0 0 113 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.445 106.9-124.9 -79.6 -11.7 33.5 100.4 12.5 171 172 A G T <<5 + 0 0 56 -3,-1.7 -3,-0.2 -4,-0.9 -4,-0.1 0.575 50.8 161.4 69.1 22.3 36.4 99.5 14.8 172 173 A Y < - 0 0 66 -5,-1.3 2,-1.1 -6,-0.2 -1,-0.2 -0.357 47.2-126.3 -72.1 146.1 34.8 96.2 16.0 173 174 A N + 0 0 133 -44,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.623 66.7 127.8 -94.4 67.7 36.9 93.5 17.6 174 175 A L - 0 0 7 -2,-1.1 2,-0.3 -10,-0.1 -43,-0.2 -0.998 40.2-168.8-134.6 136.6 35.7 90.8 15.2 175 176 A R E -e 131 0A 112 -45,-1.7 -43,-2.5 -2,-0.4 2,-0.3 -0.912 24.3-126.7-121.2 140.7 37.5 88.4 13.1 176 177 A I E -ef 132 210A 0 33,-2.4 35,-2.6 -2,-0.3 2,-0.5 -0.723 18.2-161.9 -92.9 139.9 35.6 86.4 10.3 177 178 A A E -ef 133 211A 0 -45,-2.6 -43,-2.4 -2,-0.3 2,-0.3 -0.998 8.4-147.5-127.8 120.9 35.9 82.6 10.3 178 179 A L E -ef 134 212A 13 33,-3.2 35,-2.6 -2,-0.5 -43,-0.2 -0.708 10.2-150.7 -86.7 140.6 34.9 80.7 7.1 179 180 A E - 0 0 18 -45,-2.1 -43,-0.4 -2,-0.3 2,-0.1 -0.962 8.4-148.0-123.4 112.3 33.4 77.2 7.5 180 181 A P + 0 0 4 0, 0.0 35,-0.3 0, 0.0 14,-0.1 -0.367 21.6 166.7 -74.7 153.1 33.9 74.6 4.8 181 182 A K - 0 0 9 10,-0.5 12,-0.1 9,-0.3 8,-0.1 -0.882 25.2-150.1-164.2 130.0 31.5 71.9 3.9 182 183 A P S S- 0 0 14 0, 0.0 7,-2.1 0, 0.0 2,-0.3 0.795 73.2 -12.5 -76.3 -33.4 31.9 69.7 0.7 183 184 A N S S+ 0 0 55 5,-0.2 4,-0.2 1,-0.2 5,-0.1 -0.946 74.6 108.1-162.7 164.8 28.2 69.0 0.1 184 185 A E S S+ 0 0 63 2,-3.3 -1,-0.2 -2,-0.3 3,-0.1 0.868 88.6 20.7 72.0 114.1 24.7 69.1 1.7 185 186 A P S S+ 0 0 53 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.985 131.1 44.3 -72.3 -19.9 22.4 70.9 1.1 186 187 A R S S- 0 0 17 -49,-0.7 -2,-3.3 1,-0.1 3,-0.2 -0.570 85.5-121.7 -84.6 162.3 23.9 71.6 -2.3 187 188 A G S S+ 0 0 38 1,-0.3 2,-0.4 -4,-0.2 -45,-0.2 0.816 103.6 13.1 -64.7 -39.7 25.3 68.8 -4.4 188 189 A D E S-K 141 0C 89 -47,-1.6 -47,-1.9 -5,-0.1 2,-0.4 -0.963 78.2-153.1-142.7 126.4 28.7 70.6 -4.4 189 190 A I E -K 140 0C 11 -7,-2.1 -49,-0.3 -2,-0.4 -52,-0.1 -0.848 24.4-110.5-104.7 139.3 29.5 73.5 -2.1 190 191 A F S S+ 0 0 25 -51,-2.3 -9,-0.3 -2,-0.4 -54,-0.1 -0.339 102.0 17.8 -67.1 148.0 32.0 76.2 -3.0 191 192 A L S S- 0 0 29 -11,-0.1 -10,-0.5 1,-0.1 -1,-0.2 0.974 81.2-179.0 51.6 66.0 35.2 76.1 -0.9 192 193 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.530 51.6 26.9 -71.8 -20.4 34.6 72.5 0.2 193 194 A T S > S- 0 0 21 -12,-0.1 4,-2.0 -11,-0.1 5,-0.2 -0.827 89.1 -94.6-134.3 174.4 37.5 71.7 2.6 194 195 A V H > S+ 0 0 2 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.928 123.7 59.7 -54.8 -47.0 40.0 73.5 4.9 195 196 A G H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 107.1 42.6 -51.3 -55.4 42.4 73.6 2.0 196 197 A H H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 113.4 53.4 -62.5 -37.9 39.9 75.6 -0.3 197 198 A G H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.959 111.7 44.8 -62.6 -51.2 39.0 77.9 2.6 198 199 A L H X S+ 0 0 15 -4,-3.4 4,-1.1 1,-0.2 -2,-0.2 0.930 112.9 51.4 -60.6 -41.9 42.7 78.7 3.2 199 200 A A H >< S+ 0 0 62 -4,-2.5 3,-0.6 -5,-0.3 4,-0.4 0.948 108.9 50.5 -58.7 -49.8 43.4 79.2 -0.5 200 201 A F H >< S+ 0 0 15 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.897 101.4 61.6 -57.1 -43.1 40.5 81.6 -0.9 201 202 A I H >< S+ 0 0 2 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.845 95.6 62.8 -52.9 -38.7 41.5 83.9 2.1 202 203 A E T << S+ 0 0 125 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.630 99.4 54.0 -66.0 -13.3 44.8 84.6 0.3 203 204 A Q T < S+ 0 0 124 -3,-2.0 2,-0.4 -4,-0.4 -1,-0.3 0.202 88.4 106.6-101.9 2.6 42.9 86.3 -2.6 204 205 A L X - 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