==== 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 1XLI . 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) . 35315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 8.8 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 . 83 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.4 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 3 1 0 2 2 2 2 2 2 0 0 0 0 2 0 0 2 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 8 1 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 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 97 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 115.9 35.3 64.9 34.8 2 3 A Q - 0 0 76 313,-0.1 2,-0.1 309,-0.0 43,-0.1 -0.992 360.0-128.3-134.7 121.8 33.1 68.0 35.4 3 4 A P - 0 0 27 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.454 22.2-171.1 -74.7 146.2 33.2 71.0 33.1 4 5 A T > - 0 0 74 -2,-0.1 3,-2.7 1,-0.0 4,-0.4 -0.950 43.5-101.5-126.3 156.4 33.7 74.5 34.5 5 6 A P G > S+ 0 0 74 0, 0.0 3,-1.1 0, 0.0 42,-0.1 0.725 119.1 73.0 -51.2 -20.3 33.4 77.7 32.4 6 7 A A G 3 S+ 0 0 80 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.731 86.1 64.6 -60.2 -30.2 37.3 77.7 32.3 7 8 A D G < S- 0 0 35 -3,-2.7 -1,-0.3 38,-0.2 281,-0.1 0.741 102.3-137.2 -70.1 -33.7 37.0 74.8 29.9 8 9 A H < + 0 0 61 -3,-1.1 280,-2.5 -4,-0.4 2,-0.4 0.822 34.3 172.2 72.4 38.0 35.4 77.1 27.3 9 10 A F E -a 288 0A 1 36,-0.4 38,-2.8 -5,-0.3 39,-1.4 -0.668 7.7-176.1 -79.1 125.2 32.6 74.8 26.1 10 11 A T E -ab 289 48A 0 278,-1.8 280,-2.2 -2,-0.4 2,-0.4 -0.908 6.3-162.1-124.4 148.5 30.3 76.8 23.8 11 12 A F E -ab 290 49A 0 37,-1.1 39,-2.2 -2,-0.3 2,-0.3 -0.992 19.9-121.5-132.7 143.1 27.1 75.4 22.2 12 13 A G E >> - b 0 50A 0 278,-1.1 3,-1.1 -2,-0.4 4,-0.8 -0.634 20.0-130.5 -80.1 150.0 25.0 76.7 19.3 13 14 A L H 3> S+ 0 0 10 37,-3.1 4,-1.5 -2,-0.3 -1,-0.1 0.883 109.6 57.5 -64.0 -37.1 21.4 77.5 20.2 14 15 A W H 34 S+ 0 0 42 36,-0.2 -1,-0.3 3,-0.2 4,-0.1 0.652 97.1 65.7 -65.6 -19.6 20.3 75.4 17.2 15 16 A T H X4 S+ 0 0 0 -3,-1.1 3,-2.0 2,-0.2 -2,-0.2 0.982 114.8 23.0 -71.6 -71.9 22.1 72.3 18.6 16 17 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.793 123.5 61.4 -64.3 -27.1 20.1 71.5 21.8 17 18 A G T 3< S+ 0 0 18 -4,-1.5 2,-0.4 -5,-0.3 15,-0.3 0.488 73.9 127.3 -74.5 -10.5 17.3 73.5 20.0 18 19 A W < - 0 0 52 -3,-2.0 -3,-0.1 274,-0.2 -4,-0.0 -0.343 47.6-158.6 -62.8 122.5 17.2 71.0 17.1 19 20 A T - 0 0 30 -2,-0.4 9,-2.9 -5,-0.1 10,-2.0 0.636 36.2-110.6 -75.4 -20.2 13.6 69.8 16.8 20 21 A G + 0 0 0 1,-0.4 2,-0.2 7,-0.3 276,-0.1 0.297 66.1 142.4 100.5 -5.3 14.2 66.6 15.0 21 22 A A + 0 0 43 8,-0.1 -1,-0.4 2,-0.1 5,-0.2 -0.463 21.5 166.5 -69.0 136.0 12.8 67.4 11.5 22 23 A D B > -F 25 0B 64 3,-2.5 3,-0.9 -2,-0.2 5,-0.0 -0.671 55.6 -78.4-133.7-170.9 15.0 65.8 8.8 23 24 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.840 128.8 42.2 -64.4 -33.3 14.4 65.3 5.1 24 25 A F T 3 S+ 0 0 199 1,-0.1 2,-0.3 2,-0.1 -3,-0.1 0.382 120.0 14.9 -97.0 4.7 12.1 62.2 5.7 25 26 A G B < S-F 22 0B 26 -3,-0.9 -3,-2.5 -5,-0.0 -1,-0.1 -0.979 71.2 -90.5-174.3 164.5 10.0 63.4 8.7 26 27 A V - 0 0 120 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.120 58.5 -67.9 -77.1 169.0 8.7 66.1 11.1 27 28 A A - 0 0 46 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.157 32.5-165.1 -54.0 147.0 10.0 67.4 14.4 28 29 A T S S+ 0 0 48 -9,-2.9 2,-0.3 1,-0.1 -8,-0.2 0.431 71.9 52.8-113.8 -6.9 10.0 65.0 17.3 29 30 A R S S- 0 0 16 -10,-2.0 -8,-0.1 270,-0.1 -1,-0.1 -0.962 86.2-108.9-129.2 148.3 10.5 67.7 20.0 30 31 A K - 0 0 76 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.308 53.1 -82.8 -70.4 158.1 8.7 71.0 20.8 31 32 A N - 0 0 146 1,-0.1 2,-0.5 -4,-0.0 -1,-0.1 -0.356 45.4-122.7 -62.4 148.6 10.6 74.2 20.1 32 33 A L - 0 0 23 -15,-0.3 -1,-0.1 -3,-0.1 -15,-0.1 -0.840 14.9-127.7 -95.4 123.1 13.1 75.3 22.8 33 34 A D > - 0 0 90 -2,-0.5 4,-1.9 1,-0.2 3,-0.3 -0.568 18.2-137.7 -68.1 134.3 12.7 78.7 24.4 34 35 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.793 103.4 59.0 -61.7 -32.9 16.1 80.4 24.0 35 36 A V H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.947 107.6 46.9 -59.7 -50.0 15.9 81.7 27.6 36 37 A E H > S+ 0 0 83 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.900 107.4 55.7 -62.5 -40.8 15.6 78.1 28.7 37 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.923 109.1 49.5 -54.2 -51.0 18.5 76.9 26.5 38 39 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.896 112.9 44.0 -53.0 -56.5 20.7 79.6 28.3 39 40 A H H X S+ 0 0 68 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.953 115.7 48.6 -60.8 -50.9 19.7 78.6 31.8 40 41 A K H X S+ 0 0 56 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.901 112.9 46.0 -58.1 -47.1 20.1 74.9 31.1 41 42 A L H X>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 4,-1.1 0.878 109.7 56.1 -64.9 -37.9 23.5 75.2 29.4 42 43 A A H ><5S+ 0 0 29 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.904 106.8 49.4 -59.2 -45.4 24.7 77.5 32.3 43 44 A E H 3<5S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 107.8 55.5 -68.7 -29.1 23.8 74.7 34.8 44 45 A L H 3<5S- 0 0 31 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.682 124.6 -98.5 -77.8 -20.1 25.7 72.0 32.7 45 46 A G T <<5 + 0 0 10 -4,-1.1 -36,-0.4 -3,-0.6 -3,-0.2 0.535 64.5 161.1 113.8 11.8 29.0 74.1 32.8 46 47 A A < - 0 0 2 -5,-2.5 -1,-0.2 1,-0.1 -36,-0.2 -0.257 31.1-156.4 -64.2 150.1 28.8 75.8 29.5 47 48 A Y - 0 0 57 -38,-2.8 36,-1.6 1,-0.3 2,-0.3 0.797 68.4 -15.9 -93.6 -43.6 31.0 78.8 29.1 48 49 A G E -bc 10 83A 0 -39,-1.4 -37,-1.1 34,-0.2 -1,-0.3 -0.934 55.4-123.6-159.0 177.4 29.0 80.4 26.4 49 50 A I E -b 11 0A 0 34,-2.4 37,-0.5 -2,-0.3 2,-0.3 -0.867 14.4-161.7-131.4 152.5 26.3 80.2 23.6 50 51 A T E +b 12 0A 0 -39,-2.2 -37,-3.1 -2,-0.3 2,-0.3 -0.903 14.1 179.0-130.7 158.8 26.3 81.0 19.9 51 52 A F E -g 87 0C 0 35,-0.7 37,-1.7 -2,-0.3 2,-0.4 -0.984 30.1-117.3-157.3 166.3 23.4 81.6 17.5 52 53 A H E >> -g 88 0C 21 -2,-0.3 3,-2.6 35,-0.2 4,-1.1 -0.889 40.6-112.7-102.4 140.2 22.2 82.4 14.1 53 54 A D H >> S+ 0 0 15 35,-1.9 4,-2.4 -2,-0.4 3,-1.2 0.827 119.2 46.5 -40.9 -54.9 20.3 85.7 13.6 54 55 A N H 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.518 97.3 70.3 -73.4 -4.4 17.1 83.6 12.8 55 56 A D H <4 S+ 0 0 52 -3,-2.6 -1,-0.3 3,-0.1 -2,-0.2 0.839 120.0 19.3 -72.2 -38.1 17.5 81.2 15.8 56 57 A L H << S+ 0 0 10 -3,-1.2 -2,-0.2 -4,-1.1 -3,-0.1 0.868 129.9 42.3 -93.9 -60.2 16.7 84.2 18.0 57 58 A I S < S- 0 0 16 -4,-2.4 -1,-0.2 -5,-0.2 9,-0.1 -0.821 83.8-128.4-102.5 112.6 14.9 86.7 15.8 58 59 A P > - 0 0 58 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.131 23.8-112.8 -54.5 155.2 12.3 85.4 13.3 59 60 A F T 3 S+ 0 0 95 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.899 117.6 38.0 -56.2 -48.2 12.7 86.5 9.7 60 61 A D T 3 S+ 0 0 133 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.090 83.9 145.7 -92.0 15.4 9.5 88.5 9.8 61 62 A A < - 0 0 25 -3,-1.7 2,-0.1 4,-0.1 -4,-0.0 -0.325 44.3-134.3 -58.1 138.5 9.9 89.9 13.4 62 63 A T > - 0 0 76 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.356 29.8-103.5 -80.5 173.2 8.5 93.5 13.9 63 64 A E H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.872 122.1 54.0 -70.8 -34.4 10.8 95.9 15.8 64 65 A A H >> S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 3,-0.5 0.994 112.6 45.7 -61.7 -57.1 8.8 95.7 19.1 65 66 A E H 3> S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.900 111.2 51.3 -52.2 -45.5 9.2 91.9 18.9 66 67 A R H 3X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 111.1 49.0 -58.0 -42.6 13.0 92.0 18.0 67 68 A E H S- 0 0 78 -4,-0.2 3,-1.9 1,-0.1 4,-0.0 -0.375 86.6-119.2 -65.5 148.0 14.2 81.0 3.5 95 96 A P G > S+ 0 0 94 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.841 109.8 73.1 -57.8 -27.5 13.2 79.9 -0.1 96 97 A V G 3 S+ 0 0 39 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.791 92.7 55.8 -53.3 -33.3 14.9 83.1 -1.4 97 98 A F G X + 0 0 1 -3,-1.9 3,-2.1 1,-0.2 -1,-0.3 0.203 69.5 118.0 -89.8 19.0 18.3 81.5 -0.6 98 99 A K T < S+ 0 0 159 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.657 86.8 33.1 -59.8 -25.3 17.6 78.4 -2.8 99 100 A D T 3 S- 0 0 34 1,-0.5 41,-0.3 -3,-0.5 -1,-0.3 0.073 130.4 -88.5-114.3 15.4 20.6 79.2 -5.1 100 101 A G < - 0 0 0 -3,-2.1 -1,-0.5 39,-0.1 39,-0.1 -0.499 26.9-108.7 106.7 178.1 22.7 80.8 -2.3 101 102 A G S > S+ 0 0 0 -2,-0.2 3,-1.4 -3,-0.1 12,-0.2 0.638 108.7 24.0-108.4 -83.2 23.1 84.2 -0.7 102 103 A F T 3 S+ 0 0 12 1,-0.3 57,-0.1 11,-0.1 -2,-0.1 0.787 135.5 35.6 -53.7 -41.0 26.5 85.6 -1.7 103 104 A T T 3 S+ 0 0 4 52,-0.1 -1,-0.3 53,-0.1 37,-0.1 0.108 81.3 136.2-108.6 24.1 26.8 83.4 -4.9 104 105 A S < - 0 0 4 -3,-1.4 -4,-0.1 2,-0.2 6,-0.1 -0.304 60.3-128.7 -60.4 151.8 23.1 83.3 -6.0 105 106 A N S S+ 0 0 104 -6,-0.1 2,-0.5 4,-0.1 -1,-0.1 0.870 92.6 82.2 -70.8 -37.8 22.7 83.9 -9.8 106 107 A D S > S- 0 0 74 1,-0.1 4,-1.9 2,-0.0 -2,-0.2 -0.597 71.2-154.3 -76.9 121.5 20.1 86.6 -9.0 107 108 A R H > S+ 0 0 157 -2,-0.5 4,-2.1 2,-0.2 5,-0.1 0.836 92.3 56.5 -64.3 -34.2 21.8 90.0 -8.2 108 109 A S H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.950 108.4 49.4 -66.6 -44.5 18.9 91.3 -6.0 109 110 A I H > S+ 0 0 30 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.873 107.9 52.7 -61.5 -41.0 19.3 88.2 -3.9 110 111 A R H X S+ 0 0 51 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 111.8 46.9 -60.8 -40.1 23.1 88.6 -3.6 111 112 A R H X S+ 0 0 156 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.931 112.3 48.7 -67.6 -45.0 22.5 92.3 -2.4 112 113 A F H X S+ 0 0 86 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.934 112.1 50.6 -60.6 -46.0 19.8 91.2 0.1 113 114 A A H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.904 111.6 45.9 -60.3 -41.6 22.1 88.5 1.4 114 115 A L H X S+ 0 0 33 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.937 112.5 51.5 -67.3 -40.4 25.1 90.9 1.9 115 116 A A H X S+ 0 0 39 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.933 107.6 52.9 -59.3 -46.5 22.7 93.4 3.6 116 117 A K H X S+ 0 0 22 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.868 111.2 47.3 -57.7 -40.2 21.5 90.6 6.0 117 118 A V H X S+ 0 0 1 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.948 109.0 53.1 -67.9 -51.1 25.1 89.9 6.9 118 119 A L H X S+ 0 0 41 -4,-2.8 4,-1.5 2,-0.2 3,-0.4 0.932 110.7 46.3 -53.0 -49.5 26.1 93.6 7.5 119 120 A H H X S+ 0 0 126 -4,-2.4 4,-2.1 1,-0.2 3,-0.5 0.969 111.1 54.1 -58.4 -48.5 23.1 94.1 9.9 120 121 A N H X S+ 0 0 5 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.822 101.8 57.8 -57.0 -31.5 24.2 90.8 11.6 121 122 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.4 -1,-0.2 0.913 105.0 51.1 -66.5 -41.4 27.7 92.1 12.1 122 123 A D H X S+ 0 0 43 -4,-1.5 4,-3.1 -3,-0.5 -2,-0.2 0.987 111.9 46.9 -55.7 -56.8 26.3 95.1 14.1 123 124 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.933 111.2 51.2 -50.9 -52.2 24.4 92.6 16.3 124 125 A A H X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.7 0.907 111.1 48.1 -53.0 -49.2 27.5 90.4 16.7 125 126 A A H ><5S+ 0 0 28 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.942 111.2 51.9 -55.5 -49.7 29.5 93.5 17.8 126 127 A E H 3<5S+ 0 0 124 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.876 108.7 49.8 -60.4 -39.4 26.6 94.4 20.2 127 128 A M H 3<5S- 0 0 25 -4,-2.5 -43,-0.3 -5,-0.2 -1,-0.3 0.555 115.4-115.1 -76.5 -9.7 26.6 90.9 21.8 128 129 A G T <<5 + 0 0 39 -3,-1.1 -3,-0.2 -4,-0.7 -44,-0.1 0.727 54.8 165.3 84.0 23.2 30.4 91.0 22.3 129 130 A A < - 0 0 4 -5,-2.2 -43,-0.2 -6,-0.2 -1,-0.2 -0.396 29.8-162.5 -68.6 150.7 31.3 88.2 19.9 130 131 A E S S+ 0 0 101 -45,-1.8 45,-2.3 1,-0.2 2,-0.4 0.635 76.0 53.1 -96.8 -31.0 35.0 87.8 18.9 131 132 A T E -hi 86 175C 7 -46,-2.1 -44,-1.5 43,-0.2 2,-0.5 -0.916 57.3-167.5-120.4 140.1 34.0 85.6 15.9 132 133 A F E -hi 87 176C 1 43,-2.7 45,-2.9 -2,-0.4 2,-0.4 -0.970 20.9-154.3-119.8 111.3 31.6 85.9 13.0 133 134 A V E -hi 88 177C 2 -46,-1.9 -44,-0.7 -2,-0.5 2,-0.5 -0.756 8.4-163.8 -95.6 137.1 31.1 82.6 11.1 134 135 A M E - i 0 178C 23 43,-2.6 45,-2.4 -2,-0.4 2,-0.6 -0.955 6.3-177.8-119.6 116.4 30.1 82.3 7.5 135 136 A W E - i 0 179C 50 -2,-0.5 2,-1.2 -46,-0.3 -44,-0.3 -0.944 12.6-159.3-110.3 108.4 28.8 78.9 6.4 136 137 A G > + 0 0 21 -2,-0.6 3,-1.0 43,-0.5 54,-0.3 -0.466 31.7 152.9 -90.9 64.0 28.0 79.0 2.6 137 138 A G T 3 S+ 0 0 1 -2,-1.2 49,-0.7 1,-0.3 -1,-0.2 0.645 72.9 42.2 -64.4 -27.9 25.6 76.0 2.6 138 139 A R T 3 S+ 0 0 75 -47,-0.3 2,-0.9 -3,-0.2 -1,-0.3 0.450 89.4 105.8-102.9 0.9 23.5 77.0 -0.4 139 140 A E < + 0 0 5 -3,-1.0 51,-2.3 51,-0.1 2,-0.3 -0.678 69.0 41.8 -83.4 105.1 26.6 78.2 -2.4 140 141 A G E S-L 189 0D 0 -2,-0.9 2,-0.3 -41,-0.3 49,-0.2 -0.990 77.0 -99.1 156.0-151.6 27.2 75.6 -5.1 141 142 A S E -L 188 0D 7 47,-2.2 47,-1.5 -2,-0.3 3,-0.1 -0.973 9.4-140.0-160.6 167.7 25.2 73.5 -7.6 142 143 A E S S+ 0 0 86 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.507 96.6 44.2 -99.8 -26.6 23.7 70.2 -8.4 143 144 A Y S > S- 0 0 164 45,-0.1 3,-1.1 1,-0.1 4,-0.2 -0.941 79.0-129.4-125.3 142.9 24.7 70.5 -12.1 144 145 A D T 3 S+ 0 0 140 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.749 104.3 51.5 -68.2 -24.5 28.1 71.6 -13.7 145 146 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.2 3,-0.1 -4,-0.0 0.413 84.8 89.9 -92.6 1.5 26.6 74.1 -16.1 146 147 A S S < S+ 0 0 49 -3,-1.1 2,-0.3 2,-0.0 -1,-0.2 0.668 89.4 37.0 -65.0 -27.2 24.6 76.0 -13.5 147 148 A K - 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0 0 62 -5,-1.6 2,-1.3 -6,-0.2 -1,-0.2 -0.423 44.9-128.4 -74.7 147.2 34.7 96.1 15.7 173 174 A N + 0 0 135 -44,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.702 67.2 126.9 -97.9 77.6 36.9 93.4 17.4 174 175 A L - 0 0 6 -2,-1.3 2,-0.3 -10,-0.1 -43,-0.2 -0.995 43.1-164.9-141.5 135.0 35.6 90.7 15.1 175 176 A R E -i 131 0C 111 -45,-2.3 -43,-2.7 -2,-0.4 2,-0.4 -0.876 22.6-127.0-117.7 149.1 37.2 88.2 12.8 176 177 A I E -ij 132 210C 0 33,-2.4 35,-3.1 -2,-0.3 2,-0.5 -0.808 19.0-163.4 -95.5 133.9 35.4 86.2 10.1 177 178 A A E -ij 133 211C 0 -45,-2.9 -43,-2.6 -2,-0.4 2,-0.3 -0.992 8.2-149.1-122.6 121.2 35.7 82.4 10.1 178 179 A L E -ij 134 212C 12 33,-3.0 35,-2.9 -2,-0.5 -43,-0.2 -0.698 9.0-149.9 -88.3 144.0 34.7 80.6 6.9 179 180 A E E -i 135 0C 19 -45,-2.4 -43,-0.5 -2,-0.3 2,-0.1 -0.965 7.1-149.3-125.5 112.5 33.2 77.1 7.4 180 181 A P + 0 0 4 0, 0.0 35,-0.3 0, 0.0 38,-0.1 -0.449 21.3 166.9 -76.9 152.5 33.7 74.5 4.7 181 182 A K - 0 0 10 10,-0.5 12,-0.1 9,-0.2 3,-0.1 -0.844 25.8-148.0-162.3 130.9 31.3 71.7 3.9 182 183 A P S S- 0 0 12 0, 0.0 7,-2.3 0, 0.0 2,-0.3 0.753 71.5 -11.4 -79.5 -32.5 31.7 69.7 0.7 183 184 A N S S+ 0 0 57 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.927 75.6 106.5-160.2 167.7 28.1 68.8 -0.1 184 185 A E S S+ 0 0 61 2,-3.3 -1,-0.2 -2,-0.3 3,-0.1 0.879 89.7 23.2 71.0 107.5 24.5 68.9 1.5 185 186 A P S S+ 0 0 52 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.985 131.3 40.3 -80.9 -13.1 22.4 70.8 0.8 186 187 A R S S- 0 0 13 -49,-0.7 -2,-3.3 1,-0.1 3,-0.2 -0.649 85.8-120.2 -88.6 160.6 23.8 71.5 -2.6 187 188 A G S S+ 0 0 40 1,-0.3 2,-0.4 -2,-0.2 -45,-0.2 0.808 104.4 14.4 -66.7 -36.3 25.3 68.6 -4.5 188 189 A D E S-L 141 0D 90 -47,-1.5 -47,-2.2 -5,-0.1 2,-0.3 -0.965 78.0-156.7-139.7 126.6 28.7 70.4 -4.6 189 190 A I E -L 140 0D 6 -7,-2.3 -49,-0.3 -2,-0.4 2,-0.2 -0.857 24.9-110.8-106.6 145.6 29.4 73.3 -2.3 190 191 A F S S+ 0 0 22 -51,-2.3 -9,-0.2 -2,-0.3 -54,-0.2 -0.434 101.2 21.7 -74.9 151.5 32.1 75.9 -3.0 191 192 A L S S+ 0 0 26 -2,-0.2 -10,-0.5 -11,-0.1 -1,-0.2 0.996 80.8 178.3 54.6 65.1 35.2 75.9 -0.8 192 193 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.545 51.1 26.6 -74.9 -17.8 34.5 72.3 0.2 193 194 A T S > S- 0 0 20 -12,-0.1 4,-2.0 -11,-0.1 5,-0.2 -0.900 88.9 -95.0-138.2 168.2 37.4 71.5 2.5 194 195 A V H > S+ 0 0 3 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.904 122.0 57.5 -51.5 -47.6 39.8 73.4 4.9 195 196 A G H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 108.9 43.1 -50.9 -52.9 42.4 73.5 2.0 196 197 A H H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.843 112.3 55.0 -62.7 -38.8 40.0 75.4 -0.3 197 198 A G H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.963 112.1 43.0 -58.9 -55.0 38.9 77.7 2.6 198 199 A L H X S+ 0 0 15 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.924 113.0 52.1 -59.1 -45.0 42.6 78.6 3.2 199 200 A A H < S+ 0 0 61 -4,-2.6 3,-0.4 -5,-0.2 4,-0.3 0.924 109.3 49.4 -60.2 -47.1 43.4 79.1 -0.5 200 201 A F H >< S+ 0 0 16 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.903 102.5 61.6 -61.8 -41.2 40.4 81.4 -1.0 201 202 A I H >< S+ 0 0 1 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.886 95.4 62.5 -51.8 -42.4 41.4 83.6 2.0 202 203 A E T 3< S+ 0 0 131 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.617 99.6 54.1 -63.0 -11.0 44.7 84.4 0.3 203 204 A Q T < S+ 0 0 123 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.3 0.234 87.6 108.5-102.2 2.8 42.9 86.2 -2.6 204 205 A L X - 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0 0 19 -4,-1.3 4,-2.3 -3,-0.2 3,-0.4 -0.419 62.6-150.6 -63.5 121.3 27.4 46.9 34.5 722 329 B P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.813 97.6 58.0 -65.3 -29.9 24.0 47.3 36.1 723 330 B E H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.890 109.9 46.0 -63.2 -42.3 23.8 51.0 35.0 724 331 B V H > S+ 0 0 0 -3,-0.4 4,-3.1 -6,-0.2 -1,-0.2 0.879 109.2 53.3 -66.5 -44.3 24.1 49.7 31.4 725 332 B Q H X S+ 0 0 94 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.912 113.1 44.2 -59.1 -44.7 21.6 46.9 31.9 726 333 B E H X S+ 0 0 125 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.895 112.4 51.7 -65.3 -45.0 19.0 49.5 33.2 727 334 B A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.946 110.6 50.6 -57.9 -46.2 20.0 51.9 30.3 728 335 B M H <>S+ 0 0 8 -4,-3.1 5,-2.1 2,-0.2 6,-0.4 0.843 109.3 49.6 -56.5 -44.8 19.3 49.0 27.9 729 336 B K H ><5S+ 0 0 159 -4,-1.5 3,-1.2 2,-0.2 -2,-0.2 0.935 110.8 49.4 -64.3 -48.8 15.9 48.3 29.4 730 337 B T H 3<5S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 109.8 52.1 -58.6 -41.9 14.9 52.0 29.1 731 338 B S T 3<5S- 0 0 3 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.521 115.2-115.5 -73.6 -10.2 16.0 52.0 25.4 732 339 B G T <>5 + 0 0 11 -3,-1.2 4,-2.1 -4,-0.3 -3,-0.2 0.582 69.0 140.4 81.6 17.6 13.9 48.9 24.6 733 340 B V T 44 S+ 0 0 72 -6,-0.4 3,-1.8 1,-0.2 4,-0.3 0.893 110.4 62.3 -75.8 -39.7 15.1 43.6 25.5 735 342 B E G >4 S+ 0 0 94 1,-0.3 3,-1.9 -6,-0.2 -2,-0.2 0.831 91.8 64.7 -58.5 -33.9 11.6 44.8 24.2 736 343 B L G 3< S+ 0 0 155 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.792 94.0 64.4 -56.6 -29.2 12.8 44.3 20.6 737 344 B G G < S+ 0 0 48 -3,-1.8 -1,-0.3 -4,-0.3 2,-0.3 0.580 82.0 91.3 -67.3 -23.3 13.0 40.6 21.6 738 345 B E S < S- 0 0 132 -3,-1.9 2,-0.1 -4,-0.3 3,-0.0 -0.638 87.8-110.6 -80.3 143.0 9.3 40.2 22.2 739 346 B T - 0 0 119 -2,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.348 17.8-130.9 -68.2 154.9 7.3 39.1 19.1 740 347 B T S S+ 0 0 131 -4,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.899 91.1 56.9 -70.9 -45.1 5.1 41.8 17.6 741 348 B L S S- 0 0 69 4,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.635 91.5-114.2 -88.4 153.0 2.0 39.5 17.4 742 349 B N > - 0 0 111 -2,-0.2 3,-2.3 1,-0.1 8,-0.1 -0.489 51.7 -77.5 -81.3 155.9 0.6 37.7 20.5 743 350 B A T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.366 123.3 8.4 -53.3 126.8 0.8 33.9 20.5 744 351 B G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.027 92.4 134.5 82.7 -21.1 -2.0 32.9 18.2 745 352 B E < - 0 0 34 -3,-2.3 -1,-0.2 4,-0.1 2,-0.2 -0.317 41.5-151.4 -61.9 141.2 -2.9 36.4 16.9 746 353 B S > - 0 0 52 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.655 30.2-101.9-105.4 172.9 -3.3 36.4 13.0 747 354 B A H > S+ 0 0 76 2,-0.2 4,-1.5 -2,-0.2 5,-0.2 0.929 128.5 43.3 -57.3 -52.2 -2.8 39.2 10.5 748 355 B A H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.929 108.3 59.9 -65.8 -43.1 -6.7 39.7 10.4 749 356 B D H 4 S+ 0 0 90 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.928 111.2 38.6 -52.0 -52.7 -6.8 39.4 14.3 750 357 B L H >< S+ 0 0 56 -4,-2.1 3,-0.6 2,-0.2 6,-0.3 0.837 111.0 57.8 -67.3 -35.2 -4.3 42.6 14.9 751 358 B M H 3< S+ 0 0 137 -4,-1.5 7,-0.3 -3,-0.3 -1,-0.2 0.869 111.4 43.0 -56.9 -45.6 -5.8 44.8 12.0 752 359 B N T 3< S+ 0 0 131 -4,-1.2 2,-1.2 -3,-0.3 -1,-0.3 0.330 87.2 106.8 -77.7 -16.9 -9.2 44.5 13.6 753 360 B D X> - 0 0 59 -3,-0.6 3,-1.2 -4,-0.3 4,-0.6 -0.628 57.9-161.0 -83.1 98.2 -7.6 45.1 17.1 754 361 B S G >4>S+ 0 0 78 -2,-1.2 5,-3.3 1,-0.2 3,-0.8 0.836 84.5 68.3 -42.8 -37.6 -8.8 48.7 17.7 755 362 B A G 345S+ 0 0 66 1,-0.3 -1,-0.2 3,-0.1 6,-0.2 0.775 109.5 37.6 -56.8 -51.5 -5.7 48.9 20.8 756 363 B S G <45S+ 0 0 52 -3,-1.2 -1,-0.3 -6,-0.3 -2,-0.2 0.316 133.7 2.5-105.0 2.1 -3.1 48.8 18.0 757 364 B F T X<5S+ 0 0 160 -3,-0.8 3,-1.9 -4,-0.6 -3,-0.2 0.144 121.1 36.2-138.9 -85.2 -4.5 50.8 15.0 758 365 B A T 3 5S+ 0 0 87 -7,-0.3 -3,-0.1 1,-0.3 -4,-0.1 0.859 130.9 27.7 -49.9 -49.6 -7.8 52.7 14.9 759 366 B G T 3 + 0 0 94 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 -0.661 33.7 169.1 -97.6 94.3 -2.4 57.1 20.3 762 369 B A H > S+ 0 0 50 -2,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.918 79.1 53.4 -64.4 -44.4 0.5 57.7 17.9 763 370 B E H 4 S+ 0 0 150 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.956 112.5 45.0 -63.5 -43.5 1.1 61.3 19.2 764 371 B A H >4 S+ 0 0 54 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.968 112.1 51.0 -63.8 -48.1 1.4 59.8 22.8 765 372 B A H >< S+ 0 0 49 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.914 100.7 64.9 -57.5 -38.0 3.6 56.9 21.7 766 373 B A T 3< S+ 0 0 70 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.616 86.5 72.6 -61.3 -11.3 6.0 59.4 19.8 767 374 B E T < + 0 0 144 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.705 66.5 123.8 -80.7 -22.0 7.0 61.0 23.2 768 375 B R < - 0 0 91 -3,-1.6 2,-1.0 -4,-0.3 3,-0.1 -0.105 59.1-141.8 -44.3 125.6 9.1 58.1 24.3 769 376 B N - 0 0 42 1,-0.2 -471,-0.2 -471,-0.1 -1,-0.1 -0.841 14.5-169.9 -91.2 105.5 12.6 59.1 25.1 770 377 B F - 0 0 69 -473,-1.8 -472,-0.2 -2,-1.0 -1,-0.2 0.740 19.3-149.2 -68.5 -27.5 14.6 56.1 23.7 771 378 B A > + 0 0 9 -474,-0.2 4,-1.8 -472,-0.1 -40,-0.2 0.847 42.3 150.3 59.5 41.9 17.7 57.5 25.3 772 379 B F H > + 0 0 85 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.812 69.2 55.0 -71.7 -33.6 20.0 56.0 22.6 773 380 B I H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.963 108.3 47.5 -65.7 -52.0 22.6 58.8 23.1 774 381 B R H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.928 112.5 49.4 -54.6 -50.9 22.9 58.1 26.9 775 382 B L H X S+ 0 0 25 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.840 111.6 49.3 -59.2 -37.1 23.3 54.3 26.1 776 383 B N H X S+ 0 0 43 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.882 107.7 55.0 -71.2 -38.5 26.0 55.1 23.5 777 384 B Q H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.878 105.7 52.1 -58.1 -40.6 27.8 57.4 26.1 778 385 B L H X S+ 0 0 4 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.900 109.5 49.8 -65.5 -41.8 27.9 54.4 28.6 779 386 B A H >X S+ 0 0 1 -4,-1.5 4,-3.0 2,-0.2 3,-0.5 0.960 111.7 47.2 -62.3 -51.2 29.5 52.2 25.9 780 387 B I H 3X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.943 111.4 51.6 -57.2 -48.2 32.2 54.8 25.1 781 388 B E H 3<>S+ 0 0 18 -4,-2.3 5,-2.0 2,-0.2 6,-1.0 0.814 111.1 47.1 -57.8 -34.1 32.9 55.3 28.8 782 389 B H H X<5S+ 0 0 9 -4,-1.7 3,-1.0 -3,-0.5 -2,-0.2 0.889 112.8 51.0 -72.1 -40.4 33.4 51.5 29.3 783 390 B L H 3<5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.855 107.0 51.8 -63.7 -38.4 35.6 51.6 26.1 784 391 B L T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.496 114.8-117.4 -78.5 -2.1 37.7 54.5 27.5 785 392 B G T < 5S+ 0 0 38 -3,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.701 79.8 128.1 67.6 28.1 38.2 52.4 30.7 786 393 B S < 0 0 48 -5,-2.0 -4,-0.2 -6,-0.2 -5,-0.1 0.799 360.0 360.0 -80.6 -36.4 36.4 55.3 32.5 787 394 B R 0 0 121 -6,-1.0 -1,-0.1 -9,-0.1 -2,-0.1 -0.826 360.0 360.0 -94.3 360.0 33.8 53.1 34.3