==== 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)07-MAR-94 1XIJ . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR H.L.CARRELL,J.P.GLUSKER . 385 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 2 1 0 1 1 1 1 0 2 0 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 1 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 . 2 1 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 . 1 0 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 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 Y 0 0 106 0, 0.0 308,-0.2 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 56.8 39.4 38.7 83.9 2 4 A Q - 0 0 147 307,-0.1 2,-0.2 304,-0.0 43,-0.1 -0.755 360.0-135.0 -96.0 123.7 37.8 35.3 83.8 3 5 A P - 0 0 14 0, 0.0 43,-0.1 0, 0.0 303,-0.0 -0.535 18.5-169.6 -73.4 146.0 35.2 34.5 81.3 4 6 A T > - 0 0 58 -2,-0.2 3,-2.6 1,-0.0 5,-0.4 -0.914 42.1-100.0-123.7 163.6 32.0 32.8 82.1 5 7 A P G > S+ 0 0 60 0, 0.0 3,-2.2 0, 0.0 42,-0.1 0.796 118.2 69.3 -50.1 -30.1 29.3 31.3 79.8 6 8 A E G 3 S+ 0 0 154 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.683 84.1 69.8 -66.9 -18.9 27.3 34.5 80.5 7 9 A D G < S- 0 0 35 -3,-2.6 -1,-0.3 38,-0.2 275,-0.1 0.601 102.8-133.0 -67.2 -11.3 29.8 36.6 78.5 8 10 A R < + 0 0 63 -3,-2.2 274,-3.0 -4,-0.2 2,-0.4 0.782 40.7 169.8 65.4 30.7 28.5 34.9 75.4 9 11 A F E +a 282 0A 1 -5,-0.4 38,-3.2 36,-0.3 39,-1.4 -0.656 7.1 178.8 -76.9 128.1 32.0 34.0 74.0 10 12 A T E -ab 283 48A 0 272,-2.1 274,-2.5 -2,-0.4 2,-0.3 -0.893 12.4-162.2-130.8 157.6 31.8 31.6 71.0 11 13 A F E -ab 284 49A 0 37,-1.3 39,-1.7 -2,-0.3 2,-0.2 -0.996 21.6-118.2-138.9 141.5 34.4 30.1 68.7 12 14 A G E >> - b 0 50A 0 272,-1.4 3,-1.6 -2,-0.3 4,-0.7 -0.552 22.6-127.8 -75.1 146.1 34.3 28.4 65.3 13 15 A L H 3> S+ 0 0 13 37,-2.2 4,-1.2 1,-0.3 -1,-0.1 0.810 111.7 58.3 -47.9 -37.9 35.4 24.7 65.1 14 16 A W H 34 S+ 0 0 43 2,-0.2 -1,-0.3 36,-0.2 4,-0.1 0.466 97.5 63.1 -74.5 -11.6 37.7 25.9 62.3 15 17 A T H X4 S+ 0 0 0 -3,-1.6 3,-1.9 2,-0.2 -2,-0.2 0.969 115.7 22.3 -85.7 -74.1 39.5 28.4 64.5 16 18 A V H 3< S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.707 125.2 61.8 -59.7 -21.7 41.2 26.4 67.3 17 19 A G T 3< S+ 0 0 21 -4,-1.2 15,-0.3 -5,-0.3 2,-0.3 0.403 72.1 124.1 -78.7 -4.7 40.9 23.5 64.7 18 20 A W < - 0 0 53 -3,-1.9 -3,-0.1 1,-0.1 12,-0.0 -0.490 50.2-156.3 -67.3 124.2 43.1 25.2 62.1 19 21 A Q - 0 0 54 -2,-0.3 9,-1.9 9,-0.1 10,-1.6 0.502 40.3-110.1 -78.2 -5.6 46.0 22.9 61.2 20 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.541 61.2 153.1 87.2 14.0 48.2 25.7 60.0 21 23 A R + 0 0 143 6,-0.1 -1,-0.3 8,-0.1 5,-0.2 -0.587 18.3 175.0 -70.7 127.8 48.3 25.1 56.2 22 24 A D B > -F 25 0B 64 3,-1.7 3,-1.1 -2,-0.3 5,-0.0 -0.667 51.9 -87.1-127.6 175.1 48.9 28.5 54.5 23 25 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.734 129.7 36.0 -63.1 -13.8 49.5 29.2 50.7 24 26 A F T 3 S+ 0 0 191 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.315 115.6 42.3-118.2 10.4 53.2 28.5 51.4 25 27 A G B < -F 22 0B 18 -3,-1.1 -3,-1.7 -5,-0.0 3,-0.1 -0.997 69.3-108.2-160.3 151.7 53.4 25.7 53.9 26 28 A D - 0 0 132 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.286 56.3 -71.6 -78.1 167.9 52.1 22.4 55.2 27 29 A A - 0 0 36 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.290 36.6-168.8 -54.1 143.7 50.0 21.7 58.3 28 30 A T + 0 0 64 -9,-1.9 2,-0.3 -3,-0.1 -8,-0.2 0.438 69.8 48.9-109.6 -4.7 52.0 22.2 61.6 29 31 A R S S- 0 0 16 -10,-1.6 -8,-0.1 264,-0.1 -1,-0.1 -0.966 83.9-111.7-140.6 145.9 49.3 20.6 63.8 30 32 A R - 0 0 125 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.360 47.7 -88.0 -69.8 157.1 47.2 17.5 63.8 31 33 A A - 0 0 56 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.377 41.2-134.4 -68.3 142.0 43.5 17.7 63.2 32 34 A L - 0 0 20 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.0 -0.890 14.6-119.8 -95.3 142.1 41.4 18.1 66.3 33 35 A D >> - 0 0 54 -2,-0.4 4,-1.8 1,-0.1 3,-0.9 -0.665 22.3-128.8 -66.4 126.0 38.2 16.1 67.0 34 36 A P H 3> S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.798 109.8 56.9 -41.9 -37.7 35.2 18.5 67.3 35 37 A V H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 105.5 50.4 -72.3 -29.0 34.3 16.8 70.7 36 38 A E H <> S+ 0 0 68 -3,-0.9 4,-2.8 1,-0.2 5,-0.2 0.878 110.5 49.6 -65.9 -44.1 37.8 17.6 72.0 37 39 A S H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.888 108.6 52.5 -63.3 -41.0 37.4 21.2 71.0 38 40 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 112.9 44.8 -57.4 -50.2 34.0 21.5 72.7 39 41 A Q H X S+ 0 0 82 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 115.1 47.3 -60.0 -47.3 35.4 20.1 76.0 40 42 A R H X S+ 0 0 65 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.925 113.1 46.9 -65.6 -41.5 38.5 22.3 75.9 41 43 A L H X>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-0.7 0.925 109.5 55.7 -67.5 -38.8 36.6 25.5 75.0 42 44 A A H ><5S+ 0 0 29 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.886 105.9 51.5 -58.3 -45.4 34.1 24.7 77.8 43 45 A E H 3<5S+ 0 0 142 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.808 105.5 55.4 -64.4 -25.0 36.9 24.5 80.3 44 46 A L H 3<5S- 0 0 34 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.611 125.0 -99.6 -82.6 -10.8 38.2 27.9 79.2 45 47 A G T <<5 + 0 0 7 -3,-1.1 -36,-0.3 -4,-0.7 -38,-0.2 0.548 67.9 152.7 108.2 7.9 34.8 29.6 79.9 46 48 A A < - 0 0 3 -5,-2.1 -1,-0.2 1,-0.1 -36,-0.2 -0.368 39.8-146.3 -68.7 158.2 33.3 29.8 76.4 47 49 A H - 0 0 36 -38,-3.2 36,-2.1 1,-0.3 2,-0.3 0.722 67.0 -31.5 -95.6 -28.0 29.5 29.8 75.9 48 50 A G E -bc 10 83A 0 -39,-1.4 -37,-1.3 34,-0.3 2,-0.3 -0.988 50.6-113.0-173.9-177.1 29.4 27.9 72.6 49 51 A V E -b 11 0A 0 34,-2.2 37,-0.5 -2,-0.3 2,-0.3 -0.879 15.4-153.0-128.4 166.3 30.7 26.9 69.3 50 52 A T E -b 12 0A 0 -39,-1.7 -37,-2.2 -2,-0.3 2,-0.3 -0.814 15.4-166.6-131.0 170.6 29.8 27.3 65.6 51 53 A F E -g 87 0C 0 35,-0.5 37,-2.4 -2,-0.3 2,-0.4 -0.994 25.8-129.5-156.3 148.5 30.5 25.3 62.5 52 54 A H E >> -g 88 0C 16 -2,-0.3 3,-1.9 35,-0.2 4,-1.2 -0.815 43.5-112.9 -77.7 147.6 30.5 24.9 58.8 53 55 A D H >> S+ 0 0 13 35,-1.4 4,-2.5 -2,-0.4 3,-1.2 0.890 119.4 50.3 -41.1 -52.6 28.7 21.8 57.6 54 56 A D H 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.592 100.8 62.7 -80.1 -8.0 32.1 20.4 56.4 55 57 A D H <4 S+ 0 0 50 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.752 116.3 29.6 -71.1 -32.6 33.7 21.1 59.8 56 58 A L H << S+ 0 0 5 -4,-1.2 -2,-0.2 -3,-1.2 -3,-0.1 0.865 128.1 36.5 -98.1 -43.9 31.4 18.7 61.5 57 59 A I S < S- 0 0 12 -4,-2.5 -1,-0.3 -5,-0.2 3,-0.1 -0.957 90.4-118.6-116.7 111.0 30.6 16.2 58.8 58 60 A P > - 0 0 64 0, 0.0 3,-2.2 0, 0.0 -3,-0.1 -0.179 42.2 -95.3 -50.3 131.1 33.4 15.2 56.4 59 61 A F T 3 S+ 0 0 96 1,-0.3 -5,-0.0 -5,-0.3 -6,-0.0 -0.310 113.2 24.1 -54.9 133.6 32.5 16.1 52.8 60 62 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.272 84.5 157.7 82.9 -3.6 31.0 13.1 51.2 61 63 A S < - 0 0 20 -3,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.146 42.2-117.4 -43.3 134.6 29.8 11.3 54.4 62 64 A S > - 0 0 51 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.364 30.9-102.3 -68.5 161.5 27.1 8.8 54.1 63 65 A D H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.837 125.3 51.7 -61.5 -25.7 23.8 9.4 55.8 64 66 A S H > S+ 0 0 76 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.891 110.9 44.1 -80.9 -41.2 25.0 6.8 58.4 65 67 A E H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 111.4 56.8 -62.9 -42.6 28.3 8.5 59.1 66 68 A R H X S+ 0 0 47 -4,-3.2 4,-2.4 1,-0.2 3,-0.3 0.956 107.0 47.5 -51.8 -52.3 26.5 11.9 59.1 67 69 A E H X S+ 0 0 139 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.834 111.3 51.9 -65.7 -30.7 24.2 10.7 61.9 68 70 A E H X S+ 0 0 106 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.889 109.4 48.3 -66.0 -43.5 27.2 9.4 63.9 69 71 A H H X S+ 0 0 53 -4,-2.2 4,-1.7 -3,-0.3 -2,-0.2 0.903 113.9 47.1 -67.7 -42.6 29.1 12.6 63.7 70 72 A V H X S+ 0 0 12 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.931 110.6 52.6 -65.3 -47.7 26.1 14.6 64.8 71 73 A K H X S+ 0 0 132 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.901 110.6 46.2 -55.7 -46.4 25.3 12.2 67.7 72 74 A R H X S+ 0 0 100 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.902 113.1 50.7 -60.8 -36.6 28.8 12.4 69.1 73 75 A F H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.959 109.3 50.1 -61.9 -51.6 28.8 16.2 68.8 74 76 A R H X S+ 0 0 92 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.886 106.4 55.6 -59.9 -41.5 25.4 16.4 70.5 75 77 A Q H X S+ 0 0 100 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.3 0.918 106.9 50.9 -58.5 -40.0 26.7 14.3 73.4 76 78 A A H X S+ 0 0 2 -4,-2.0 4,-1.2 1,-0.2 6,-0.3 0.871 110.1 49.0 -66.4 -34.2 29.6 16.7 73.9 77 79 A L H X>S+ 0 0 12 -4,-2.0 4,-2.2 2,-0.2 5,-0.6 0.904 112.4 48.2 -65.4 -44.1 27.3 19.7 74.0 78 80 A D H <5S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 111.1 51.1 -61.8 -38.4 25.1 17.9 76.5 79 81 A D H <5S+ 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.773 122.6 29.4 -73.8 -20.9 28.1 17.0 78.6 80 82 A T H <5S- 0 0 46 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.633 97.1-121.5-114.7 -16.8 29.4 20.6 78.7 81 83 A G T <5 + 0 0 46 -4,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.535 59.0 153.8 76.1 10.8 26.4 22.8 78.5 82 84 A M < - 0 0 7 -5,-0.6 -1,-0.3 -6,-0.3 -34,-0.3 -0.465 30.2-147.8 -74.7 145.0 27.9 24.4 75.3 83 85 A K B -c 48 0A 111 -36,-2.1 -34,-2.2 -2,-0.2 45,-0.1 -0.687 12.4-137.8-104.5 170.5 25.5 26.0 72.8 84 86 A V + 0 0 6 43,-0.5 -34,-0.1 -36,-0.2 -36,-0.1 -0.861 30.0 164.6-127.6 87.4 25.5 26.3 69.0 85 87 A P + 0 0 5 0, 0.0 45,-2.1 0, 0.0 46,-1.5 0.648 63.8 23.4 -80.4 -21.4 24.2 29.9 68.3 86 88 A M E + h 0 131C 1 -37,-0.5 -35,-0.5 43,-0.2 2,-0.3 -0.982 58.1 179.3-145.9 148.1 25.3 30.1 64.7 87 89 A A E -gh 51 132C 0 44,-1.5 46,-2.3 -2,-0.3 2,-0.3 -0.948 6.1-175.4-142.5 168.9 26.1 27.8 61.8 88 90 A T E -gh 52 133C 6 -37,-2.4 -35,-1.4 -2,-0.3 2,-0.4 -0.895 24.4-105.6-156.3 172.4 27.2 28.3 58.2 89 91 A T - 0 0 12 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.889 22.1-129.3-106.9 139.1 27.9 26.4 54.9 90 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.793 42.8 153.8 -78.4 100.6 31.4 25.7 53.3 91 93 A L + 0 0 17 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.172 66.5 55.9-112.7 36.6 30.9 27.0 49.7 92 94 A F S S+ 0 0 36 45,-0.1 8,-0.1 8,-0.1 -1,-0.1 0.608 89.4 59.7-136.4 -32.8 34.6 27.7 49.3 93 95 A T S S+ 0 0 90 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.925 83.0 78.8 -74.7 -51.6 36.9 24.7 49.9 94 96 A H S > S- 0 0 68 -4,-0.2 3,-2.3 1,-0.1 4,-0.0 -0.418 84.4-122.6 -63.0 142.0 35.8 22.1 47.4 95 97 A P G > S+ 0 0 91 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.703 107.4 72.6 -52.1 -30.4 37.1 22.6 43.8 96 98 A V G 3 S+ 0 0 51 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.816 95.8 54.4 -55.6 -27.8 33.5 22.6 42.4 97 99 A F G X + 0 0 1 -3,-2.3 3,-1.9 1,-0.2 -1,-0.3 0.150 70.0 118.0 -91.2 16.7 33.2 26.1 44.1 98 100 A K T < S+ 0 0 152 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.741 85.8 34.2 -61.2 -25.4 36.3 27.6 42.3 99 101 A D T 3 S- 0 0 35 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.123 130.8 -80.2-112.1 13.8 34.1 30.3 40.6 100 102 A G < - 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0 0 0 -35,-2.1 29,-0.2 -2,-0.3 2,-0.1 -0.773 28.0-167.8-121.3 81.1 28.0 39.5 60.2 214 216 A P - 0 0 0 0, 0.0 29,-2.9 0, 0.0 2,-0.4 -0.423 7.5-148.7 -72.6 152.1 31.0 41.9 60.0 215 217 A E B > -d 243 0A 0 -35,-0.3 4,-1.8 27,-0.2 5,-0.3 -0.981 13.1-135.7-120.8 135.1 34.6 40.8 60.8 216 218 A V H > S+ 0 0 9 27,-1.8 4,-1.8 -2,-0.4 -1,-0.2 0.881 105.7 43.4 -42.9 -63.5 37.2 43.1 62.3 217 219 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.843 108.5 59.6 -65.2 -30.8 40.0 42.0 59.9 218 220 A H H >4 S+ 0 0 4 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.924 109.0 40.9 -63.6 -48.8 37.8 42.0 56.8 219 221 A E H ><>S+ 0 0 5 -4,-1.8 5,-1.9 1,-0.2 3,-1.4 0.863 112.5 57.2 -66.2 -38.3 36.8 45.7 57.0 220 222 A Q H ><5S+ 0 0 15 -4,-1.8 3,-2.1 -5,-0.3 -1,-0.2 0.768 92.7 68.7 -66.0 -22.6 40.5 46.6 58.0 221 223 A M T <<5S+ 0 0 5 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.559 102.5 46.2 -67.0 -18.1 41.7 44.9 54.8 222 224 A A T < 5S- 0 0 44 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.238 120.6-112.5 -97.1 8.8 40.0 47.8 53.0 223 225 A G T < 5 + 0 0 52 -3,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.690 68.9 149.3 68.0 23.3 41.6 50.4 55.5 224 226 A L < - 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