==== 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)11-OCT-90 9XIA . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR H.L.CARRELL,J.P.GLUSKER . 387 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.5 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 . 2 0.5 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 . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.2 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 0 1 1 1 1 1 0 2 0 0 0 0 1 0 1 0 1 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 1 A M 0 0 202 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.7 42.8 42.1 89.1 2 2 A N - 0 0 127 2,-0.0 2,-0.3 310,-0.0 0, 0.0 -0.777 360.0-151.2-116.0 159.0 41.8 39.1 87.1 3 3 A Y + 0 0 33 -2,-0.3 308,-0.1 2,-0.0 309,-0.1 -0.799 21.4 176.2-136.2 84.0 39.4 38.8 84.2 4 4 A Q - 0 0 147 -2,-0.3 2,-0.1 307,-0.1 43,-0.1 -0.841 22.4-136.8 -97.2 122.3 37.8 35.4 84.0 5 5 A P - 0 0 16 0, 0.0 43,-0.1 0, 0.0 303,-0.0 -0.463 19.6-171.5 -76.6 152.6 35.2 34.7 81.3 6 6 A T > - 0 0 59 -2,-0.1 3,-3.5 1,-0.0 5,-0.3 -0.948 43.5 -99.0-134.8 157.1 32.1 32.8 82.3 7 7 A P G > S+ 0 0 60 0, 0.0 3,-1.8 0, 0.0 42,-0.1 0.760 120.0 71.0 -47.7 -26.1 29.4 31.4 79.9 8 8 A E G 3 S+ 0 0 152 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.728 84.3 67.3 -68.3 -18.9 27.4 34.6 80.8 9 9 A D G < S- 0 0 38 -3,-3.5 -1,-0.3 38,-0.2 275,-0.1 0.559 103.3-132.0 -77.1 -6.2 29.9 36.7 78.7 10 10 A R < + 0 0 65 -3,-1.8 274,-3.2 -4,-0.3 2,-0.5 0.796 41.0 170.2 60.4 38.1 28.6 35.0 75.6 11 11 A F E +a 284 0A 1 -5,-0.3 38,-3.4 36,-0.3 39,-1.4 -0.667 6.7 179.4 -84.3 126.4 32.0 34.1 74.2 12 12 A T E -ab 285 50A 0 272,-2.0 274,-2.7 -2,-0.5 2,-0.3 -0.899 12.2-164.9-129.2 156.0 31.9 31.8 71.1 13 13 A F E -ab 286 51A 0 37,-1.2 39,-1.6 -2,-0.3 2,-0.2 -0.986 23.3-116.9-137.8 146.2 34.4 30.2 68.8 14 14 A G E >> - b 0 52A 0 272,-1.1 3,-1.7 -2,-0.3 4,-0.8 -0.510 23.0-127.7 -78.8 147.7 34.2 28.5 65.4 15 15 A L H 3> S+ 0 0 12 37,-2.3 4,-1.1 1,-0.3 -1,-0.1 0.859 112.6 59.5 -58.0 -32.9 35.3 24.8 65.3 16 16 A W H 34 S+ 0 0 39 36,-0.2 -1,-0.3 3,-0.2 37,-0.1 0.498 97.4 61.9 -72.1 -8.4 37.6 26.0 62.4 17 17 A T H X4 S+ 0 0 0 -3,-1.7 3,-2.0 2,-0.2 -2,-0.2 0.965 116.1 23.4 -85.3 -75.0 39.5 28.5 64.6 18 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.704 124.4 61.2 -63.9 -21.2 41.1 26.4 67.4 19 19 A G T 3< S+ 0 0 23 -4,-1.1 15,-0.3 -5,-0.4 2,-0.3 0.428 72.8 126.3 -82.4 -2.1 40.9 23.6 64.8 20 20 A W < - 0 0 55 -3,-2.0 -3,-0.1 268,-0.2 -4,-0.0 -0.459 48.1-157.8 -64.2 118.8 43.1 25.4 62.2 21 21 A Q - 0 0 53 -2,-0.3 9,-2.0 9,-0.1 10,-1.6 0.547 39.1-111.3 -74.7 -12.5 45.9 23.0 61.2 22 22 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.2 270,-0.1 0.651 60.8 152.4 94.9 13.7 48.2 25.8 60.0 23 23 A R + 0 0 138 6,-0.1 -1,-0.3 8,-0.1 5,-0.2 -0.704 18.9 172.6 -78.5 130.6 48.2 25.2 56.2 24 24 A D B > -F 27 0B 65 3,-1.7 3,-1.4 -2,-0.4 5,-0.0 -0.711 52.1 -83.8-128.3 176.3 48.9 28.6 54.5 25 25 A P T 3 S+ 0 0 117 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.756 129.8 34.0 -57.2 -26.8 49.5 29.4 50.8 26 26 A F T 3 S+ 0 0 197 2,-0.1 2,-0.3 1,-0.0 -3,-0.0 0.207 116.2 44.9-114.1 12.7 53.2 28.6 51.3 27 27 A G B < -F 24 0B 18 -3,-1.4 -3,-1.7 -5,-0.0 3,-0.1 -1.000 67.6-107.8-160.2 159.5 53.3 25.7 53.9 28 28 A D - 0 0 132 -2,-0.3 -2,-0.1 -5,-0.2 0, 0.0 -0.243 56.5 -73.6 -74.7 163.6 52.0 22.5 55.2 29 29 A A - 0 0 34 1,-0.2 -7,-0.2 -6,-0.1 -1,-0.2 -0.250 35.4-167.7 -55.9 139.3 50.0 21.8 58.3 30 30 A T S S+ 0 0 65 -9,-2.0 2,-0.3 1,-0.1 -8,-0.2 0.459 70.7 49.3-106.5 -7.8 52.0 22.3 61.6 31 31 A R S S- 0 0 16 -10,-1.6 -1,-0.1 264,-0.1 3,-0.1 -0.980 83.3-113.9-135.2 149.5 49.3 20.7 63.8 32 32 A R - 0 0 134 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.321 48.2 -88.7 -73.3 155.9 47.2 17.5 63.7 33 33 A A - 0 0 59 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.297 39.9-135.1 -68.8 148.4 43.4 17.7 63.2 34 34 A L - 0 0 23 -15,-0.3 -1,-0.1 -3,-0.1 -13,-0.0 -0.904 15.1-120.5-106.0 142.9 41.4 18.1 66.4 35 35 A D >> - 0 0 56 -2,-0.4 4,-1.8 1,-0.1 3,-1.1 -0.622 23.5-127.1 -79.6 135.0 38.2 16.1 66.9 36 36 A P H 3> S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.791 109.5 61.6 -49.2 -33.1 35.2 18.6 67.4 37 37 A V H 3> S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.903 103.8 47.4 -62.6 -44.0 34.4 16.8 70.6 38 38 A E H <> S+ 0 0 68 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.901 111.0 51.3 -63.7 -43.2 37.8 17.7 72.1 39 39 A S H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.911 108.9 51.4 -62.8 -44.3 37.4 21.3 71.0 40 40 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.921 113.0 45.1 -55.9 -49.8 34.0 21.6 72.7 41 41 A Q H X S+ 0 0 91 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 115.3 46.6 -64.0 -44.6 35.4 20.2 76.0 42 42 A R H X S+ 0 0 62 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.896 113.3 48.6 -68.2 -40.9 38.5 22.4 75.9 43 43 A L H X>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 4,-0.6 0.890 108.5 54.0 -65.0 -41.1 36.5 25.6 75.1 44 44 A A H ><5S+ 0 0 28 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.916 106.7 53.3 -60.2 -43.3 34.0 24.8 77.9 45 45 A E H 3<5S+ 0 0 144 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.820 105.4 53.3 -61.4 -28.7 36.9 24.6 80.3 46 46 A L H 3<5S- 0 0 37 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.596 124.5-100.2 -82.5 -8.9 38.2 28.0 79.3 47 47 A G T <<5 + 0 0 8 -3,-1.4 -36,-0.3 -4,-0.6 -38,-0.2 0.584 67.2 153.6 104.2 10.7 34.8 29.6 80.0 48 48 A A < - 0 0 3 -5,-2.0 -1,-0.2 1,-0.1 -36,-0.2 -0.402 39.2-145.5 -71.1 159.0 33.4 29.9 76.5 49 49 A H - 0 0 33 -38,-3.4 36,-1.7 1,-0.2 2,-0.3 0.697 66.8 -30.8 -97.6 -23.8 29.5 29.9 76.1 50 50 A G E -bc 12 85A 0 -39,-1.4 -37,-1.2 34,-0.3 2,-0.3 -0.984 52.1-113.0-176.2-178.8 29.3 28.0 72.8 51 51 A V E -b 13 0A 0 34,-2.2 37,-0.5 -2,-0.3 2,-0.3 -0.888 15.2-154.2-132.5 165.8 30.7 27.0 69.4 52 52 A T E -b 14 0A 0 -39,-1.6 -37,-2.3 -2,-0.3 2,-0.3 -0.824 15.1-166.3-134.3 166.4 29.8 27.5 65.7 53 53 A F E -g 89 0C 0 35,-0.6 37,-2.3 -2,-0.3 2,-0.4 -0.999 25.9-129.6-157.8 154.6 30.5 25.4 62.7 54 54 A H E >> -g 90 0C 15 -2,-0.3 3,-2.4 35,-0.2 4,-1.1 -0.829 44.2-111.4 -95.5 149.4 30.6 25.2 58.9 55 55 A D H >> S+ 0 0 14 35,-1.3 4,-2.8 -2,-0.4 3,-0.8 0.877 117.9 51.0 -45.5 -49.8 28.8 22.0 57.7 56 56 A D H 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.579 100.1 61.6 -72.2 -9.1 32.1 20.5 56.5 57 57 A D H <4 S+ 0 0 51 -3,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.842 117.4 31.4 -80.8 -30.9 33.9 21.1 59.9 58 58 A L H << S+ 0 0 6 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.1 0.857 128.3 34.4 -87.7 -46.9 31.3 18.8 61.5 59 59 A I S < S- 0 0 13 -4,-2.8 -1,-0.3 -5,-0.2 3,-0.1 -0.955 89.5-122.6-117.0 109.8 30.5 16.3 58.7 60 60 A P > - 0 0 66 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.172 44.0 -92.5 -49.0 130.2 33.4 15.4 56.4 61 61 A F T 3 S+ 0 0 92 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.230 112.8 23.7 -48.5 136.7 32.5 16.2 52.9 62 62 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.354 82.5 157.5 86.5 -3.2 31.0 13.2 51.2 63 63 A S < - 0 0 18 -3,-2.1 -1,-0.3 1,-0.1 2,-0.1 -0.243 42.2-121.3 -54.4 141.1 29.8 11.4 54.3 64 64 A S > - 0 0 52 1,-0.1 4,-2.7 4,-0.0 3,-0.4 -0.461 32.5-101.1 -78.1 159.9 27.0 8.9 53.8 65 65 A D H > S+ 0 0 106 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.779 124.3 56.5 -52.6 -30.2 23.8 9.5 55.9 66 66 A S H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.932 109.5 41.7 -69.8 -50.3 25.0 6.8 58.3 67 67 A E H > S+ 0 0 85 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.915 112.0 58.1 -67.6 -37.4 28.3 8.5 59.0 68 68 A R H X S+ 0 0 47 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.957 105.3 48.3 -50.9 -58.8 26.4 11.9 59.2 69 69 A E H X S+ 0 0 145 -4,-2.1 4,-2.7 1,-0.3 -1,-0.2 0.839 111.2 52.0 -53.9 -40.3 24.1 10.8 62.0 70 70 A E H X S+ 0 0 109 -4,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.824 107.9 49.1 -67.1 -40.5 27.1 9.4 63.9 71 71 A H H X S+ 0 0 57 -4,-2.2 4,-1.6 -3,-0.3 -2,-0.2 0.922 114.3 48.0 -68.0 -40.3 29.1 12.7 63.7 72 72 A V H X S+ 0 0 13 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.965 109.6 51.0 -65.1 -51.3 26.0 14.6 64.9 73 73 A K H X S+ 0 0 137 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.950 111.4 48.5 -53.7 -50.1 25.2 12.2 67.8 74 74 A R H X S+ 0 0 105 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.907 113.5 46.0 -58.1 -39.5 28.8 12.5 69.1 75 75 A F H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.949 111.2 52.4 -67.3 -48.8 28.8 16.3 68.9 76 76 A R H X S+ 0 0 93 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.869 107.2 53.2 -54.0 -42.2 25.4 16.5 70.6 77 77 A Q H X S+ 0 0 101 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.921 108.2 50.0 -65.4 -39.9 26.7 14.3 73.4 78 78 A A H X S+ 0 0 3 -4,-1.8 4,-1.4 -5,-0.2 6,-0.3 0.909 110.6 49.5 -68.9 -32.8 29.6 16.7 73.9 79 79 A L H X>S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 5,-0.6 0.890 112.3 48.8 -67.2 -40.7 27.3 19.8 74.0 80 80 A D H <5S+ 0 0 105 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.890 110.1 51.9 -66.7 -36.8 25.1 17.9 76.6 81 81 A D H <5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 122.0 29.2 -70.8 -26.8 28.1 17.0 78.7 82 82 A T H <5S- 0 0 48 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.607 97.0-121.5-110.6 -13.6 29.4 20.6 78.8 83 83 A G T <5 + 0 0 45 -4,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.626 59.1 153.5 81.2 13.7 26.3 22.8 78.6 84 84 A M < - 0 0 6 -5,-0.6 -1,-0.3 -6,-0.3 -34,-0.3 -0.542 30.1-150.0 -76.6 144.9 27.8 24.5 75.4 85 85 A K B -c 50 0A 116 -36,-1.7 -34,-2.2 -2,-0.2 45,-0.1 -0.622 11.7-136.7-108.9 174.2 25.4 26.0 72.9 86 86 A V + 0 0 5 43,-0.5 -34,-0.1 -36,-0.2 -36,-0.1 -0.874 28.6 167.4-130.3 88.8 25.5 26.5 69.1 87 87 A P + 0 0 7 0, 0.0 45,-2.0 0, 0.0 46,-1.6 0.675 63.8 26.8 -80.6 -16.6 24.2 30.0 68.4 88 88 A M E - h 0 133C 2 -37,-0.5 -35,-0.6 43,-0.2 2,-0.3 -0.985 57.7-177.5-148.0 148.1 25.3 30.2 64.7 89 89 A A E -gh 53 134C 0 44,-1.4 46,-2.9 -2,-0.3 2,-0.3 -0.922 8.7-179.0-138.5 161.5 26.0 27.9 61.9 90 90 A T E -gh 54 135C 4 -37,-2.3 -35,-1.3 -2,-0.3 2,-0.4 -0.938 24.6-104.9-157.0 172.7 27.2 28.5 58.3 91 91 A T - 0 0 12 44,-0.7 2,-1.1 -2,-0.3 46,-0.3 -0.891 17.0-133.4-109.8 139.4 28.1 26.7 55.0 92 92 A N + 0 0 10 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.794 40.9 154.2 -87.7 101.8 31.5 25.9 53.5 93 93 A L + 0 0 16 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.239 65.0 58.5-116.0 37.4 30.9 27.1 49.8 94 94 A F S S+ 0 0 36 45,-0.1 8,-0.1 46,-0.1 -2,-0.1 0.651 87.2 59.6-137.8 -27.7 34.7 27.7 49.3 95 95 A T S S+ 0 0 94 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.930 81.6 79.6 -76.4 -51.5 37.0 24.7 49.8 96 96 A H S > S- 0 0 67 -4,-0.2 3,-2.9 1,-0.1 4,-0.0 -0.365 85.3-121.8 -58.5 137.2 35.9 22.0 47.4 97 97 A P G > S+ 0 0 90 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.750 107.2 74.0 -51.9 -25.5 37.2 22.7 43.9 98 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -2,-0.0 0.779 93.5 55.5 -60.6 -26.2 33.6 22.7 42.5 99 99 A F G X + 0 0 0 -3,-2.9 3,-2.2 1,-0.2 -1,-0.3 0.208 70.0 118.9 -91.9 14.8 33.3 26.2 44.2 100 100 A K T < S+ 0 0 151 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.675 86.0 32.3 -53.7 -28.0 36.3 27.6 42.3 101 101 A D T 3 S- 0 0 37 1,-0.5 41,-0.3 -3,-0.4 -1,-0.3 0.089 130.3 -80.6-112.3 15.4 34.2 30.3 40.6 102 102 A G < - 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0 0 56 -5,-2.5 2,-1.0 -6,-0.2 -1,-0.2 -0.518 40.0-138.7 -82.5 149.3 11.9 28.3 61.3 175 175 A D + 0 0 162 -2,-0.2 2,-0.4 -44,-0.1 -1,-0.1 -0.774 61.4 119.1-100.9 81.0 13.1 31.0 63.7 176 176 A I - 0 0 4 -2,-1.0 2,-0.3 -42,-0.0 -43,-0.2 -0.965 45.3-156.9-146.7 142.1 16.4 31.7 62.1 177 177 A R E -i 133 0C 113 -45,-1.8 -43,-2.6 -2,-0.4 2,-0.3 -0.859 17.2-124.0-120.2 159.6 17.8 34.9 60.6 178 178 A F E -ij 134 212C 2 33,-3.0 35,-2.2 -2,-0.3 2,-0.4 -0.755 17.4-167.2-102.0 147.1 20.6 35.3 58.0 179 179 A A E -ij 135 213C 0 -45,-2.4 -43,-2.4 -2,-0.3 2,-0.4 -0.990 11.1-149.7-133.2 121.5 23.7 37.4 58.4 180 180 A I E -ij 136 214C 7 33,-2.7 35,-2.6 -2,-0.4 -43,-0.2 -0.737 9.6-150.9 -91.2 137.1 26.0 38.2 55.4 181 181 A E - 0 0 14 -45,-2.7 -43,-0.4 -2,-0.4 2,-0.1 -0.912 11.3-147.5-110.0 122.5 29.6 38.6 56.2 182 182 A P + 0 0 1 0, 0.0 35,-0.3 0, 0.0 14,-0.1 -0.399 20.2 172.8 -85.5 157.8 31.5 41.0 53.9 183 183 A K - 0 0 7 10,-0.8 12,-0.1 9,-0.3 8,-0.1 -0.913 25.7-144.5-159.7 134.3 35.2 40.6 52.9 184 184 A P S S- 0 0 12 0, 0.0 7,-1.9 0, 0.0 2,-0.3 0.803 73.2 -19.7 -78.4 -29.6 36.9 42.8 50.2 185 185 A N S S+ 0 0 55 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.954 73.0 113.3-163.2 170.4 39.3 40.2 48.6 186 186 A E S S+ 0 0 62 2,-2.9 -1,-0.2 -2,-0.3 3,-0.1 0.855 87.6 21.9 77.2 109.2 41.0 36.9 49.3 187 187 A P S S+ 0 0 55 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.950 128.3 46.4 -80.2 -15.7 40.6 34.3 48.0 188 188 A R S S- 0 0 17 -49,-0.8 -2,-2.9 -47,-0.1 3,-0.2 -0.493 89.1-115.1 -84.2 157.1 39.2 36.0 45.0 189 189 A G S S+ 0 0 38 1,-0.3 2,-0.3 -4,-0.2 -45,-0.2 0.889 105.5 2.8 -54.3 -47.9 40.9 39.1 43.4 190 190 A D E S-L 143 0D 117 -47,-1.5 -47,-2.0 -5,-0.1 2,-0.3 -0.971 79.8-146.3-139.4 137.4 37.9 41.2 44.4 191 191 A I E -L 142 0D 9 -7,-1.9 -49,-0.3 -2,-0.3 2,-0.1 -0.801 23.9-109.6-106.1 143.4 34.9 39.7 46.3 192 192 A L S S+ 0 0 27 -51,-2.7 -9,-0.3 -2,-0.3 -54,-0.1 -0.502 102.0 23.4 -70.9 150.8 31.2 40.9 45.8 193 193 A L S S- 0 0 18 -11,-0.1 -10,-0.8 -2,-0.1 -1,-0.2 0.978 81.5-177.5 53.0 67.8 29.6 42.9 48.7 194 194 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.615 52.0 24.5 -72.4 -17.6 33.1 43.9 49.8 195 195 A T S > S- 0 0 19 -12,-0.1 4,-2.3 -11,-0.1 5,-0.2 -0.905 88.5 -94.8-139.1 169.2 32.3 45.9 52.9 196 196 A V H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.857 124.1 53.8 -54.6 -42.6 29.5 46.3 55.6 197 197 A G H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.927 106.9 49.1 -64.9 -43.9 28.0 49.1 53.5 198 198 A H H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 114.2 47.0 -59.6 -41.0 27.8 47.1 50.3 199 199 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.893 111.5 50.3 -67.7 -43.0 26.1 44.2 52.3 200 200 A L H X S+ 0 0 18 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.880 111.8 47.6 -61.0 -40.5 23.6 46.6 54.0 201 201 A A H < S+ 0 0 66 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.908 110.6 52.5 -67.5 -38.2 22.6 48.2 50.6 202 202 A F H >< S+ 0 0 19 -4,-1.8 3,-1.9 -5,-0.2 4,-0.2 0.907 101.7 59.4 -64.1 -41.5 22.2 44.8 49.0 203 203 A I H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.831 94.4 65.7 -53.4 -39.3 19.9 43.6 51.8 204 204 A E T 3< S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.579 98.4 53.5 -64.5 -14.7 17.4 46.4 51.0 205 205 A R T < S+ 0 0 187 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.352 86.0 105.8 -99.8 3.1 16.7 44.9 47.6 206 206 A L S < S- 0 0 7 -3,-1.9 -46,-0.1 -4,-0.2 -47,-0.0 -0.497 81.5-116.4 -80.9 159.0 15.8 41.4 49.0 207 207 A E S S+ 0 0 133 1,-0.3 -1,-0.1 -48,-0.2 -44,-0.0 0.827 110.6 25.1 -62.8 -37.0 12.1 40.3 49.0 208 208 A R S > S+ 0 0 92 1,-0.1 3,-2.0 -5,-0.1 -1,-0.3 -0.696 70.1 175.5-129.3 79.1 12.0 40.0 52.9 209 209 A P G > S+ 0 0 31 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.733 71.5 72.2 -53.7 -27.0 14.8 42.4 54.2 210 210 A E G 3 S+ 0 0 129 1,-0.3 -6,-0.0 -6,-0.1 -7,-0.0 0.722 89.7 60.2 -67.7 -16.5 13.8 41.8 57.8 211 211 A L G < S+ 0 0 25 -3,-2.0 -33,-3.0 -34,-0.1 2,-0.4 0.506 99.9 69.0 -86.0 -5.6 15.3 38.3 57.7 212 212 A Y E < +j 178 0C 1 -3,-1.7 -33,-0.2 -4,-0.2 2,-0.2 -0.967 48.3 148.5-128.2 139.9 18.8 39.5 56.9 213 213 A G E -j 179 0C 0 -35,-2.2 -33,-2.7 -2,-0.4 2,-0.3 -0.610 42.3 -85.3-137.6-166.2 21.5 41.5 58.7 214 214 A V E -jk 180 241C 0 26,-2.8 29,-1.2 -35,-0.3 28,-1.2 -0.837 11.5-159.0-116.1 153.6 25.3 41.6 58.7 215 215 A N - 0 0 0 -35,-2.6 29,-0.2 -2,-0.3 2,-0.1 -0.841 28.3-168.4-123.0 80.3 28.1 39.6 60.4 216 216 A P - 0 0 0 0, 0.0 29,-3.0 0, 0.0 2,-0.4 -0.485 8.1-147.0 -74.2 152.9 31.0 42.2 60.1 217 217 A E B > -d 245 0A 0 -35,-0.3 4,-1.4 27,-0.2 3,-0.3 -0.982 13.0-133.1-120.0 133.7 34.5 41.0 60.9 218 218 A V H > S+ 0 0 9 27,-2.2 4,-1.3 -2,-0.4 3,-0.2 0.894 104.9 43.8 -47.0 -61.2 37.1 43.2 62.5 219 219 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.798 106.9 62.6 -59.3 -33.0 40.0 42.3 60.1 220 220 A H H >4 S+ 0 0 3 -3,-0.3 3,-0.5 1,-0.2 4,-0.3 0.917 105.7 40.9 -67.2 -45.5 37.8 42.4 56.9 221 221 A E H ><>S+ 0 0 6 -4,-1.4 5,-2.3 1,-0.2 3,-1.2 0.839 113.8 55.9 -67.9 -31.0 36.9 46.1 57.0 222 222 A Q H ><5S+ 0 0 16 -4,-1.3 3,-1.6 -5,-0.3 -1,-0.2 0.791 94.5 67.0 -67.3 -25.9 40.5 46.8 58.1 223 223 A M T <<5S+ 0 0 5 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.639 105.3 44.2 -68.1 -15.2 41.7 45.0 54.8 224 224 A A T < 5S- 0 0 44 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.307 120.9-113.4-108.2 10.0 40.0 48.0 53.0 225 225 A G T < 5 + 0 0 52 -3,-1.6 -3,-0.2 1,-0.2 2,-0.1 0.675 69.3 144.6 67.4 19.9 41.6 50.5 55.5 226 226 A L < - 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0 0 28 -4,-1.1 4,-2.1 -3,-0.7 3,-1.0 -0.588 62.5-148.0 -75.0 122.8 34.6 59.3 84.8 324 324 A P H 3> S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.798 100.5 57.0 -55.9 -36.3 33.1 62.7 85.7 325 325 A E H 3> S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 53,-0.1 0.840 107.7 47.1 -65.9 -33.3 36.1 64.4 84.1 326 326 A V H <> S+ 0 0 0 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.909 109.2 53.7 -73.5 -43.1 35.3 62.6 80.8 327 327 A Q H X S+ 0 0 79 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.910 110.3 48.4 -55.1 -41.4 31.6 63.5 81.0 328 328 A E H X S+ 0 0 119 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.902 110.8 50.0 -64.0 -44.5 32.7 67.1 81.4 329 329 A A H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.895 107.0 55.1 -64.2 -38.3 35.1 66.8 78.4 330 330 A L H <>S+ 0 0 32 -4,-2.9 5,-2.6 2,-0.2 6,-0.4 0.898 110.6 45.7 -62.0 -39.8 32.3 65.3 76.3 331 331 A R H ><5S+ 0 0 157 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.916 109.2 55.3 -68.8 -38.0 30.2 68.4 77.1 332 332 A A H 3<5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.837 110.2 45.9 -63.3 -30.3 33.2 70.6 76.3 333 333 A S T 3<5S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.386 116.2-117.0 -94.1 6.4 33.5 69.0 72.8 334 334 A R T <>5 + 0 0 58 -3,-1.5 4,-1.7 -4,-0.2 3,-0.4 0.737 65.3 145.0 65.8 29.8 29.7 69.3 72.3 335 335 A L H >4 S+ 0 0 111 -3,-0.4 3,-1.2 1,-0.2 -2,-0.2 0.813 102.3 61.3 -73.6 -29.3 24.7 69.1 71.0 338 338 A L H 3< S+ 0 0 142 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 102.3 54.8 -64.0 -31.1 25.4 66.4 68.3 339 339 A A T 3< S+ 0 0 88 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.484 93.2 86.6 -76.5 -8.2 22.6 64.4 69.9 340 340 A R S < S- 0 0 135 -3,-1.2 -3,-0.0 -4,-0.2 0, 0.0 -0.777 91.7 -98.7 -97.2 146.2 20.0 67.2 69.6 341 341 A P - 0 0 99 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.191 21.7-140.9 -58.2 140.8 18.0 67.7 66.4 342 342 A T S S+ 0 0 146 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.859 94.1 9.5 -71.6 -35.5 19.4 70.4 64.1 343 343 A A > + 0 0 35 1,-0.1 3,-1.9 2,-0.0 -1,-0.2 -0.379 62.6 149.6-149.5 67.7 15.9 71.7 63.2 344 344 A A T 3 S+ 0 0 90 -3,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.757 76.5 71.1 -68.5 -20.9 13.1 70.3 65.3 345 345 A D T 3> S- 0 0 97 1,-0.2 4,-0.5 -3,-0.1 -1,-0.3 0.534 109.5-120.9 -68.7 -16.3 11.4 73.7 64.6 346 346 A G H <> - 0 0 29 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 -0.023 26.3 -67.5 93.8 161.8 10.9 72.6 61.0 347 347 A L H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.880 127.2 51.0 -55.6 -49.4 12.0 73.8 57.6 348 348 A Q H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.6 48.9 -58.9 -43.8 9.9 77.1 57.5 349 349 A A H X S+ 0 0 38 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.925 112.0 48.7 -60.4 -45.4 11.3 78.1 60.9 350 350 A L H < S+ 0 0 74 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.934 110.7 51.4 -63.5 -41.2 14.8 77.4 59.8 351 351 A L H < S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 114.1 43.1 -62.7 -33.1 14.3 79.4 56.6 352 352 A D H < S+ 0 0 113 -4,-2.0 2,-0.9 -5,-0.1 -1,-0.2 0.540 88.1 107.5 -88.2 -11.6 12.9 82.4 58.6 353 353 A D >< - 0 0 58 -4,-1.3 3,-1.2 -3,-0.4 5,-0.2 -0.575 46.9-173.1 -73.4 104.6 15.7 82.1 61.2 354 354 A R G > >S+ 0 0 129 -2,-0.9 5,-3.7 1,-0.2 3,-1.1 0.725 83.1 65.3 -67.0 -24.3 18.1 85.1 60.7 355 355 A S G 3 5S+ 0 0 71 1,-0.3 -1,-0.2 3,-0.2 6,-0.1 0.646 95.7 59.2 -73.6 -18.1 20.5 83.6 63.4 356 356 A A G < 5S- 0 0 43 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 0.513 134.0 -20.8 -85.6 -8.0 21.1 80.6 61.1 357 357 A F T X 5S+ 0 0 177 -3,-1.1 3,-1.4 -4,-0.2 -3,-0.1 0.192 127.0 53.9-155.6 -73.3 22.4 82.8 58.3 358 358 A E T 3 5S+ 0 0 103 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.887 129.2 21.8 -50.3 -47.7 21.8 86.5 57.8 359 359 A E T 3 + 0 0 98 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 -0.774 24.2 179.7 -93.8 96.5 28.7 85.2 63.2 362 362 A V H > S+ 0 0 87 -2,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.838 76.6 54.2 -64.1 -44.4 30.8 82.7 61.3 363 363 A D H > S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.785 109.1 47.9 -63.0 -36.4 34.2 84.0 62.7 364 364 A A H 4 S+ 0 0 49 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.893 114.9 44.7 -70.8 -46.0 33.0 83.6 66.3 365 365 A A H >< S+ 0 0 20 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.927 112.4 53.5 -64.9 -41.7 31.8 80.0 65.6 366 366 A A H 3< S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.1 57.4 -58.1 -32.8 35.0 79.2 63.6 367 367 A A T 3< S+ 0 0 83 -4,-1.3 2,-0.6 -3,-0.2 -1,-0.3 0.599 79.8 105.5 -76.8 -15.5 37.2 80.3 66.5 368 368 A R < - 0 0 151 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.533 69.1-138.1 -73.0 121.0 35.7 77.9 69.0 369 369 A G - 0 0 59 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 -0.387 3.3-139.7 -70.4 150.1 38.1 75.0 69.5 370 370 A M - 0 0 76 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.664 20.5-142.7 -87.5 -13.7 36.6 71.5 69.6 371 371 A A > + 0 0 50 1,-0.1 4,-1.5 3,-0.0 5,-0.1 0.752 52.2 141.3 58.2 30.3 38.8 70.3 72.5 372 372 A F H > + 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.830 62.2 57.4 -71.3 -30.5 39.1 66.7 70.9 373 373 A E H > S+ 0 0 156 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 106.3 48.1 -69.9 -38.1 42.8 66.2 71.8 374 374 A R H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 114.0 48.2 -65.5 -46.6 42.2 66.6 75.5 375 375 A L H X S+ 0 0 22 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.952 111.4 50.1 -58.3 -46.2 39.2 64.2 75.2 376 376 A D H X S+ 0 0 45 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.874 108.4 52.1 -64.1 -34.3 41.4 61.7 73.2 377 377 A Q H X S+ 0 0 102 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.865 106.5 54.3 -69.7 -34.3 44.2 61.8 75.8 378 378 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 109.4 47.9 -61.0 -43.0 41.6 61.0 78.5 379 379 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.888 112.2 49.7 -63.3 -36.9 40.6 58.0 76.5 380 380 A M H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.947 109.4 50.4 -65.7 -48.8 44.3 57.0 76.1 381 381 A D H X>S+ 0 0 35 -4,-2.9 5,-3.3 1,-0.2 4,-0.7 0.887 113.0 47.3 -56.7 -45.1 44.9 57.4 79.9 382 382 A H H ><5S+ 0 0 10 -4,-2.4 3,-1.1 -5,-0.2 -2,-0.2 0.945 110.2 51.0 -66.1 -45.0 41.9 55.2 80.6 383 383 A L H 3<5S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 116.1 42.5 -55.6 -45.3 42.9 52.5 78.1 384 384 A L H 3<5S- 0 0 113 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.435 110.8-119.5 -80.5 -4.1 46.4 52.3 79.6 385 385 A G T <<5S+ 0 0 43 -3,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.848 77.0 130.1 70.3 37.2 45.2 52.4 83.2 386 386 A A < 0 0 68 -5,-3.3 -4,-0.2 1,-0.3 -5,-0.1 -0.222 360.0 360.0-110.9 31.9 47.2 55.7 83.7 387 387 A R 0 0 115 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.3 -0.670 360.0 360.0-171.8 360.0 43.8 56.6 85.1