==== 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 8XIA . 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) . 19630.0 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 . 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 . 21 5.4 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 . 147 38.0 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 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 0 198 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.2 42.9 42.0 89.3 2 2 A N - 0 0 126 2,-0.0 2,-0.4 310,-0.0 0, 0.0 -0.772 360.0-149.2-115.4 159.1 41.8 39.0 87.2 3 3 A Y + 0 0 32 -2,-0.3 308,-0.1 2,-0.0 309,-0.1 -0.807 21.6 177.9-133.4 85.7 39.5 38.7 84.3 4 4 A Q - 0 0 150 -2,-0.4 2,-0.2 307,-0.1 43,-0.1 -0.818 21.8-136.5 -97.0 124.8 37.8 35.3 84.1 5 5 A P - 0 0 16 0, 0.0 43,-0.1 0, 0.0 303,-0.0 -0.479 20.2-172.1 -76.3 150.1 35.2 34.6 81.5 6 6 A T > - 0 0 56 -2,-0.2 3,-3.3 1,-0.0 5,-0.3 -0.951 43.6-100.2-134.0 155.7 32.0 32.7 82.4 7 7 A P G > S+ 0 0 62 0, 0.0 3,-1.7 0, 0.0 42,-0.1 0.765 119.4 71.2 -48.4 -25.3 29.4 31.3 80.1 8 8 A E G 3 S+ 0 0 152 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.706 84.2 68.1 -66.2 -20.1 27.3 34.5 80.9 9 9 A D G < S- 0 0 37 -3,-3.3 -1,-0.3 38,-0.2 275,-0.1 0.577 102.1-133.2 -77.2 -9.3 29.9 36.6 78.9 10 10 A R < + 0 0 64 -3,-1.7 274,-3.0 -4,-0.3 2,-0.4 0.813 40.3 169.1 61.7 36.9 28.6 34.9 75.7 11 11 A F E +a 284 0A 1 36,-0.3 38,-3.4 -5,-0.3 39,-1.3 -0.689 7.3 178.9 -83.6 125.8 32.0 34.1 74.2 12 12 A T E -ab 285 50A 0 272,-2.1 274,-2.6 -2,-0.4 2,-0.3 -0.902 12.7-164.8-129.4 157.1 31.9 31.7 71.2 13 13 A F E -ab 286 51A 0 37,-1.2 39,-1.5 -2,-0.3 2,-0.2 -0.991 23.8-117.0-137.4 144.3 34.4 30.2 68.8 14 14 A G E >> - b 0 52A 0 272,-1.2 3,-1.8 -2,-0.3 4,-0.8 -0.490 23.8-126.7 -78.1 151.5 34.2 28.4 65.5 15 15 A L H 3> S+ 0 0 12 37,-2.2 4,-1.0 1,-0.3 -1,-0.1 0.844 112.6 60.5 -59.9 -32.2 35.4 24.8 65.4 16 16 A W H 34 S+ 0 0 41 36,-0.2 -1,-0.3 3,-0.2 37,-0.1 0.449 96.7 61.8 -72.2 -8.2 37.6 25.9 62.5 17 17 A T H X4 S+ 0 0 0 -3,-1.8 3,-1.8 2,-0.2 -2,-0.2 0.969 116.4 22.9 -86.0 -72.8 39.5 28.5 64.7 18 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.701 124.5 61.0 -64.5 -21.9 41.2 26.4 67.5 19 19 A G T 3< S+ 0 0 23 -4,-1.0 2,-0.3 -5,-0.4 15,-0.3 0.468 72.9 124.1 -83.3 -1.4 40.9 23.5 64.9 20 20 A W < - 0 0 55 -3,-1.8 -3,-0.1 1,-0.2 -4,-0.0 -0.495 49.5-157.2 -68.0 122.1 43.1 25.3 62.2 21 21 A Q - 0 0 50 -2,-0.3 9,-2.3 9,-0.1 10,-1.8 0.520 40.3-109.4 -75.7 -13.0 46.0 23.0 61.4 22 22 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.2 270,-0.1 0.626 60.8 154.0 90.6 20.3 48.2 25.8 60.1 23 23 A R + 0 0 140 6,-0.1 -1,-0.3 8,-0.1 5,-0.2 -0.686 17.5 173.5 -78.8 124.9 48.2 25.1 56.3 24 24 A D B > -F 27 0B 64 3,-1.8 3,-1.4 -2,-0.4 5,-0.0 -0.698 51.8 -85.9-125.1 177.5 48.9 28.5 54.6 25 25 A P T 3 S+ 0 0 118 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.746 130.3 35.4 -57.6 -25.6 49.6 29.3 50.9 26 26 A F T 3 S+ 0 0 195 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.244 116.2 46.8-111.9 8.5 53.2 28.5 51.5 27 27 A G B < -F 24 0B 16 -3,-1.4 -3,-1.8 0, 0.0 3,-0.1 -0.999 66.2-112.1-160.3 156.4 53.2 25.6 54.0 28 28 A D - 0 0 132 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.1 -0.248 56.5 -74.6 -74.3 163.9 52.0 22.3 55.3 29 29 A A - 0 0 35 1,-0.1 -7,-0.2 -6,-0.1 -1,-0.2 -0.234 34.0-167.1 -60.2 145.1 50.0 21.8 58.5 30 30 A T S S+ 0 0 65 -9,-2.3 2,-0.4 1,-0.1 -8,-0.2 0.433 70.7 49.7-111.7 -5.8 52.0 22.2 61.8 31 31 A R S S- 0 0 15 -10,-1.8 -1,-0.1 264,-0.1 3,-0.1 -0.979 83.2-113.2-137.9 149.0 49.3 20.6 64.0 32 32 A R - 0 0 133 -2,-0.4 -2,-0.1 1,-0.1 2,-0.0 -0.337 48.5 -86.4 -73.2 158.0 47.2 17.4 63.9 33 33 A A - 0 0 57 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.292 40.7-133.5 -65.8 147.2 43.5 17.6 63.4 34 34 A L - 0 0 22 -15,-0.3 -1,-0.1 -19,-0.1 -13,-0.0 -0.891 14.2-122.6-104.3 140.1 41.3 18.1 66.5 35 35 A D >> - 0 0 54 -2,-0.4 4,-1.6 1,-0.1 3,-1.6 -0.653 23.3-127.9 -77.9 130.5 38.2 16.0 67.1 36 36 A P H 3> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.783 108.9 60.3 -46.8 -34.4 35.3 18.5 67.5 37 37 A V H 3> S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.875 103.3 49.8 -64.5 -37.8 34.4 16.8 70.8 38 38 A E H <> S+ 0 0 66 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.893 109.4 51.0 -68.7 -41.5 37.8 17.6 72.2 39 39 A S H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.895 108.6 52.0 -63.3 -42.1 37.4 21.3 71.2 40 40 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.924 112.6 45.5 -57.5 -48.9 34.0 21.5 72.8 41 41 A Q H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.917 114.9 46.4 -61.3 -47.5 35.4 20.1 76.1 42 42 A R H X S+ 0 0 66 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.902 113.0 49.1 -66.5 -40.5 38.6 22.4 76.1 43 43 A L H X>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 4,-0.5 0.886 107.9 54.4 -65.9 -37.7 36.6 25.5 75.3 44 44 A A H ><5S+ 0 0 30 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.901 106.4 53.5 -61.1 -41.7 34.0 24.7 78.1 45 45 A E H 3<5S+ 0 0 151 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.780 105.8 52.5 -63.1 -29.1 37.0 24.5 80.5 46 46 A L H 3<5S- 0 0 36 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.575 124.7-100.6 -85.3 -9.4 38.2 28.0 79.4 47 47 A G T <<5 + 0 0 9 -3,-1.2 -36,-0.3 -4,-0.5 -38,-0.2 0.580 66.4 154.5 103.0 16.0 34.8 29.5 80.1 48 48 A A < - 0 0 2 -5,-2.2 -1,-0.2 1,-0.1 -36,-0.2 -0.404 39.3-144.8 -73.6 160.6 33.4 29.8 76.6 49 49 A H - 0 0 34 -38,-3.4 36,-1.7 1,-0.2 2,-0.3 0.695 66.8 -34.7 -96.6 -25.7 29.6 29.8 76.1 50 50 A G E -bc 12 85A 0 -39,-1.3 -37,-1.2 34,-0.3 2,-0.3 -0.980 50.7-110.9-176.6-176.7 29.4 27.9 72.8 51 51 A V E -b 13 0A 0 34,-2.1 37,-0.4 -2,-0.3 2,-0.3 -0.875 15.4-153.2-133.5 164.8 30.8 26.9 69.4 52 52 A T E -b 14 0A 0 -39,-1.5 -37,-2.2 -2,-0.3 2,-0.3 -0.822 15.4-168.5-131.7 167.7 29.8 27.4 65.7 53 53 A F E -g 89 0C 0 35,-0.6 37,-2.2 -2,-0.3 2,-0.3 -0.999 26.6-129.8-156.8 158.9 30.5 25.3 62.7 54 54 A H E >> -g 90 0C 16 -2,-0.3 3,-2.0 35,-0.2 4,-1.2 -0.812 45.1-110.6 -99.9 152.9 30.5 25.1 58.9 55 55 A D H >> S+ 0 0 14 35,-1.2 4,-2.6 -2,-0.3 3,-0.7 0.888 118.8 53.9 -49.1 -46.7 28.7 21.8 57.8 56 56 A D H 34 S+ 0 0 39 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.553 98.9 61.3 -69.3 -13.3 32.1 20.4 56.6 57 57 A D H <4 S+ 0 0 51 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.803 116.3 31.9 -79.6 -35.2 33.8 21.0 60.0 58 58 A L H << S+ 0 0 6 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.852 128.0 32.4 -88.7 -43.4 31.4 18.6 61.7 59 59 A I S < S- 0 0 15 -4,-2.6 -1,-0.3 -5,-0.2 3,-0.1 -0.967 90.2-120.7-120.8 111.7 30.5 16.1 59.0 60 60 A P > - 0 0 65 0, 0.0 3,-1.9 0, 0.0 -3,-0.1 -0.194 42.4 -91.0 -52.0 135.0 33.4 15.3 56.6 61 61 A F T 3 S+ 0 0 97 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.190 112.6 23.6 -48.1 132.6 32.5 16.1 53.0 62 62 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.379 82.2 154.4 89.2 -3.8 31.0 13.0 51.3 63 63 A S < - 0 0 18 -3,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.260 43.5-121.7 -56.6 139.8 29.8 11.2 54.4 64 64 A S > - 0 0 55 1,-0.1 4,-2.5 4,-0.0 3,-0.4 -0.431 33.7 -98.4 -78.9 165.5 26.9 8.8 53.9 65 65 A D H > S+ 0 0 106 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.761 124.6 57.7 -53.6 -26.5 23.7 9.5 56.0 66 66 A S H > S+ 0 0 83 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.931 108.7 41.3 -72.2 -50.0 25.0 6.8 58.4 67 67 A E H > S+ 0 0 84 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.891 111.5 59.3 -67.3 -35.8 28.2 8.5 59.2 68 68 A R H X S+ 0 0 46 -4,-2.5 4,-2.6 1,-0.2 3,-0.3 0.966 105.3 47.0 -53.2 -59.7 26.4 11.9 59.3 69 69 A E H X S+ 0 0 143 -4,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.851 111.8 52.6 -54.9 -36.3 24.1 10.8 62.1 70 70 A E H X S+ 0 0 113 -4,-1.4 4,-2.2 2,-0.2 -1,-0.3 0.893 108.0 48.7 -67.0 -42.7 27.1 9.4 64.0 71 71 A H H X S+ 0 0 57 -4,-2.3 4,-1.7 -3,-0.3 -2,-0.2 0.919 114.3 47.8 -65.8 -41.7 29.1 12.6 63.8 72 72 A V H X S+ 0 0 14 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.950 109.2 51.8 -65.8 -50.9 26.0 14.5 65.0 73 73 A K H X S+ 0 0 140 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.925 110.8 48.5 -52.8 -48.2 25.2 12.1 67.9 74 74 A R H X S+ 0 0 104 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.902 113.3 46.5 -59.2 -42.2 28.8 12.4 69.2 75 75 A F H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.922 110.7 53.2 -63.5 -47.1 28.8 16.2 69.0 76 76 A R H X S+ 0 0 95 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.873 106.5 52.5 -57.4 -41.4 25.4 16.4 70.7 77 77 A Q H X S+ 0 0 103 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.903 108.0 51.6 -66.7 -38.7 26.6 14.3 73.6 78 78 A A H X S+ 0 0 7 -4,-1.6 4,-1.4 2,-0.2 6,-0.3 0.905 109.5 49.7 -66.4 -35.4 29.6 16.7 74.1 79 79 A L H X>S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 5,-0.7 0.910 111.8 48.9 -67.5 -39.4 27.3 19.7 74.2 80 80 A D H <5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 109.7 52.2 -66.4 -36.8 25.1 17.9 76.8 81 81 A D H <5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 122.1 28.9 -70.7 -29.8 28.2 17.0 78.9 82 82 A T H <5S- 0 0 47 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.597 97.8-121.2-109.9 -14.3 29.4 20.6 79.0 83 83 A G T <5 + 0 0 46 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.635 58.5 153.2 80.3 14.6 26.4 22.8 78.7 84 84 A M < - 0 0 7 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.571 29.7-150.0 -79.0 146.3 27.8 24.5 75.5 85 85 A K B -c 50 0A 117 -36,-1.7 -34,-2.1 -2,-0.2 45,-0.1 -0.588 12.2-135.7-109.5 173.3 25.4 26.0 73.0 86 86 A V + 0 0 5 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.838 28.7 167.4-129.7 88.0 25.5 26.4 69.2 87 87 A P + 0 0 7 0, 0.0 45,-1.9 0, 0.0 46,-1.6 0.683 63.8 25.8 -79.5 -18.9 24.2 29.9 68.5 88 88 A M E - h 0 133C 2 -37,-0.4 -35,-0.6 43,-0.2 2,-0.3 -0.989 57.4-177.8-145.7 150.9 25.3 30.1 64.8 89 89 A A E -gh 53 134C 0 44,-1.5 46,-2.8 -2,-0.3 2,-0.3 -0.937 6.6-178.3-142.7 163.8 26.0 27.8 61.9 90 90 A T E -gh 54 135C 6 -37,-2.2 -35,-1.2 -2,-0.3 2,-0.4 -0.926 24.5-108.0-154.5 172.1 27.2 28.4 58.3 91 91 A T - 0 0 11 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.898 19.9-128.1-109.6 144.1 28.0 26.5 55.1 92 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 -38,-0.0 -0.824 42.8 154.1 -88.9 106.2 31.4 25.7 53.5 93 93 A L + 0 0 17 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.256 65.6 57.5-120.2 38.9 30.9 27.0 49.9 94 94 A F S S+ 0 0 38 45,-0.1 8,-0.1 46,-0.1 -2,-0.1 0.635 87.7 59.9-141.0 -27.6 34.6 27.6 49.4 95 95 A T S S+ 0 0 91 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.907 81.7 79.5 -77.6 -50.9 36.9 24.6 49.9 96 96 A H S > S- 0 0 69 -4,-0.2 3,-2.7 1,-0.1 4,-0.1 -0.352 85.3-122.0 -61.4 138.0 35.8 22.0 47.4 97 97 A P G > S+ 0 0 91 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.773 107.2 73.8 -50.0 -27.6 37.1 22.6 43.9 98 98 A V G 3 S+ 0 0 51 1,-0.3 3,-0.4 2,-0.1 13,-0.1 0.814 93.9 55.7 -58.7 -28.3 33.5 22.7 42.5 99 99 A F G X + 0 0 1 -3,-2.7 3,-2.3 1,-0.2 -1,-0.3 0.277 69.7 117.1 -89.2 11.7 33.3 26.1 44.2 100 100 A K T < S+ 0 0 155 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.736 86.2 33.9 -53.1 -27.5 36.3 27.6 42.4 101 101 A D T 3 S- 0 0 36 1,-0.5 41,-0.3 -3,-0.4 -1,-0.3 0.190 129.8 -83.0-110.8 13.1 34.1 30.2 40.6 102 102 A G < - 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0 0 58 -5,-2.4 2,-1.0 -6,-0.2 -1,-0.2 -0.509 40.0-140.1 -82.2 149.3 11.9 28.3 61.4 175 175 A D + 0 0 159 -2,-0.2 2,-0.4 -44,-0.1 -1,-0.1 -0.786 61.8 117.4-104.0 79.4 13.1 31.0 63.8 176 176 A I - 0 0 4 -2,-1.0 2,-0.3 -42,-0.0 -43,-0.2 -0.962 45.5-158.5-146.5 140.8 16.5 31.6 62.2 177 177 A R E -i 133 0C 98 -45,-1.7 -43,-2.6 -2,-0.4 2,-0.3 -0.850 18.3-120.8-120.9 159.2 17.8 34.8 60.6 178 178 A F E -ij 134 212C 1 33,-3.1 35,-2.4 -2,-0.3 2,-0.4 -0.763 17.1-164.5-102.1 148.3 20.6 35.2 58.1 179 179 A A E -ij 135 213C 0 -45,-2.4 -43,-2.5 -2,-0.3 2,-0.4 -0.990 10.9-149.4-132.2 118.7 23.8 37.3 58.6 180 180 A I E -ij 136 214C 7 33,-2.8 35,-2.5 -2,-0.4 -43,-0.2 -0.760 9.8-151.6 -88.3 135.6 25.9 38.2 55.5 181 181 A E - 0 0 14 -45,-2.7 -43,-0.5 -2,-0.4 2,-0.1 -0.926 9.4-149.9-112.7 119.8 29.6 38.5 56.2 182 182 A P + 0 0 2 0, 0.0 35,-0.3 0, 0.0 38,-0.1 -0.445 19.2 172.0 -83.9 155.8 31.6 40.9 53.9 183 183 A K - 0 0 8 10,-0.7 8,-0.2 9,-0.3 12,-0.1 -0.914 26.4-143.9-159.3 132.7 35.3 40.6 52.9 184 184 A P S S- 0 0 13 0, 0.0 7,-2.1 0, 0.0 2,-0.3 0.824 73.7 -20.0 -75.7 -30.4 36.9 42.8 50.3 185 185 A N S S+ 0 0 58 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.937 73.9 112.7-164.0 171.1 39.3 40.2 48.8 186 186 A E S S+ 0 0 67 2,-2.8 -1,-0.2 -2,-0.3 3,-0.1 0.875 87.1 23.9 74.0 110.4 41.0 36.9 49.4 187 187 A P S S+ 0 0 54 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.958 129.0 43.3 -77.2 -15.7 40.5 34.2 48.1 188 188 A R S S- 0 0 17 -49,-0.7 -2,-2.8 -47,-0.1 3,-0.2 -0.542 89.7-113.8 -87.9 157.0 39.2 36.0 45.0 189 189 A G S S+ 0 0 38 1,-0.3 2,-0.3 -2,-0.2 -45,-0.2 0.882 105.9 4.6 -54.1 -43.2 40.9 39.1 43.6 190 190 A D E S-L 143 0D 116 -47,-1.4 -47,-2.0 -5,-0.1 2,-0.3 -0.960 79.5-146.9-144.0 135.5 37.9 41.1 44.5 191 191 A I E -L 142 0D 10 -7,-2.1 -49,-0.2 -2,-0.3 2,-0.2 -0.777 23.9-110.0-106.1 146.0 34.9 39.7 46.5 192 192 A L S S+ 0 0 26 -51,-2.2 -9,-0.3 -2,-0.3 -54,-0.2 -0.524 103.0 24.0 -73.5 146.9 31.2 40.8 45.9 193 193 A L S S- 0 0 17 -2,-0.2 -10,-0.7 -11,-0.1 -1,-0.2 0.985 81.0-177.4 57.1 64.8 29.7 42.8 48.8 194 194 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.650 53.0 23.2 -69.9 -21.1 33.1 43.9 49.9 195 195 A T S > S- 0 0 19 -12,-0.1 4,-2.1 -11,-0.1 5,-0.2 -0.889 87.6 -95.1-136.9 172.7 32.3 45.9 53.0 196 196 A V H > S+ 0 0 3 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.851 123.7 55.4 -54.7 -42.8 29.5 46.2 55.7 197 197 A G H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 107.2 47.6 -58.6 -48.3 28.0 49.1 53.6 198 198 A H H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.883 114.0 48.0 -59.6 -42.3 27.8 47.0 50.4 199 199 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.901 110.9 50.1 -68.3 -42.8 26.1 44.2 52.4 200 200 A L H X S+ 0 0 16 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.888 111.7 49.0 -62.4 -39.4 23.6 46.5 54.1 201 201 A A H < S+ 0 0 67 -4,-2.2 3,-0.4 -5,-0.2 4,-0.3 0.902 109.7 51.6 -64.8 -40.9 22.6 48.1 50.7 202 202 A F H >< S+ 0 0 19 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.872 102.2 59.8 -63.9 -43.4 22.1 44.7 49.1 203 203 A I H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.814 94.4 65.6 -55.8 -35.2 19.8 43.5 51.9 204 204 A E T 3< S+ 0 0 103 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.633 99.1 53.1 -65.1 -14.0 17.4 46.4 51.1 205 205 A R T < S+ 0 0 187 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.319 86.0 106.3-101.4 3.8 16.7 44.8 47.7 206 206 A L S < S- 0 0 7 -3,-1.9 -46,-0.1 -4,-0.1 -47,-0.0 -0.502 80.3-118.0 -81.9 157.8 15.8 41.4 49.1 207 207 A E S S+ 0 0 133 1,-0.3 -1,-0.1 -48,-0.2 -44,-0.0 0.841 110.7 25.1 -62.5 -39.3 12.1 40.3 49.1 208 208 A R S > S+ 0 0 93 1,-0.1 3,-1.9 -5,-0.0 -1,-0.3 -0.716 71.0 175.9-127.2 79.5 12.0 40.0 53.0 209 209 A P G > S+ 0 0 33 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.735 71.4 72.5 -54.6 -26.3 14.7 42.4 54.3 210 210 A E G 3 S+ 0 0 126 1,-0.3 -7,-0.0 -33,-0.0 -2,-0.0 0.727 88.9 61.1 -68.6 -16.0 13.8 41.7 57.9 211 211 A L G < S+ 0 0 24 -3,-1.9 -33,-3.1 -34,-0.1 2,-0.4 0.545 98.8 70.2 -85.0 -3.9 15.3 38.2 57.8 212 212 A Y E < +j 178 0C 0 -3,-1.8 -33,-0.2 -35,-0.2 2,-0.2 -0.966 47.3 148.9-128.3 140.0 18.8 39.5 57.0 213 213 A G E -j 179 0C 0 -35,-2.4 -33,-2.8 -2,-0.4 2,-0.3 -0.559 41.5 -87.4-137.4-164.5 21.5 41.3 58.8 214 214 A V E -jk 180 241C 0 26,-2.7 29,-1.4 -35,-0.3 28,-1.2 -0.838 10.6-158.3-118.9 156.3 25.3 41.5 58.8 215 215 A N - 0 0 0 -35,-2.5 29,-0.2 -2,-0.3 26,-0.1 -0.792 28.5-168.7-124.4 78.1 28.1 39.5 60.5 216 216 A P - 0 0 0 0, 0.0 29,-2.8 0, 0.0 2,-0.4 -0.408 8.6-146.7 -70.2 152.5 31.0 42.1 60.2 217 217 A E B > -d 245 0A 0 -35,-0.3 4,-1.6 27,-0.2 5,-0.3 -0.973 12.3-135.2-121.3 133.6 34.5 40.9 61.0 218 218 A V H > S+ 0 0 10 27,-2.0 4,-1.3 -2,-0.4 3,-0.2 0.907 104.8 44.6 -46.4 -61.2 37.1 43.2 62.5 219 219 A G H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.785 107.2 59.9 -59.1 -33.7 40.0 42.2 60.2 220 220 A H H >4 S+ 0 0 5 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.908 106.7 43.2 -67.2 -42.6 37.9 42.3 57.0 221 221 A E H ><>S+ 0 0 7 -4,-1.6 5,-2.3 -3,-0.2 3,-1.0 0.847 112.3 55.7 -69.4 -30.1 36.9 46.0 57.1 222 222 A Q H ><5S+ 0 0 15 -4,-1.3 3,-1.3 -5,-0.3 -1,-0.2 0.730 93.9 68.3 -70.6 -20.9 40.5 46.8 58.2 223 223 A M T <<5S+ 0 0 5 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.585 104.7 43.8 -67.9 -16.4 41.7 45.0 54.9 224 224 A A T < 5S- 0 0 41 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.235 121.4-112.5-110.7 6.8 40.0 48.0 53.1 225 225 A G T < 5 + 0 0 50 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.715 69.0 147.0 67.7 22.5 41.6 50.5 55.7 226 226 A L < - 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0 0 28 -4,-1.2 4,-2.2 -3,-0.7 3,-1.0 -0.555 63.2-147.7 -73.2 124.6 34.5 59.2 84.9 324 324 A P H 3> S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.802 100.0 57.2 -59.8 -31.8 33.1 62.6 85.8 325 325 A E H 3> S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 53,-0.1 0.844 107.7 47.1 -69.6 -31.0 36.1 64.3 84.2 326 326 A V H <> S+ 0 0 0 -3,-1.0 4,-2.8 -6,-0.2 5,-0.2 0.900 109.0 54.6 -73.5 -44.8 35.3 62.5 80.9 327 327 A Q H X S+ 0 0 77 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.904 110.3 46.5 -57.4 -41.7 31.6 63.5 81.2 328 328 A E H X S+ 0 0 106 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.888 111.2 52.5 -68.4 -37.1 32.6 67.1 81.5 329 329 A A H X S+ 0 0 4 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.896 106.1 53.3 -64.6 -39.8 35.1 66.7 78.5 330 330 A L H <>S+ 0 0 33 -4,-2.8 5,-2.8 2,-0.2 6,-0.5 0.869 111.3 46.8 -62.2 -37.1 32.3 65.2 76.4 331 331 A R H ><5S+ 0 0 140 -4,-1.6 3,-1.3 -5,-0.2 -2,-0.2 0.903 108.7 54.7 -69.9 -37.7 30.2 68.3 77.2 332 332 A A H 3<5S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.823 110.9 45.8 -63.9 -30.4 33.2 70.6 76.4 333 333 A S T 3<5S- 0 0 4 -4,-1.6 -1,-0.3 38,-0.1 -2,-0.2 0.294 116.7-116.4 -93.1 2.3 33.4 68.9 73.0 334 334 A R T <>5 + 0 0 52 -3,-1.3 4,-1.5 -5,-0.2 3,-0.3 0.779 64.8 146.3 67.6 30.6 29.7 69.2 72.4 335 335 A L H >4 S+ 0 0 112 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.804 102.2 60.5 -70.2 -30.5 24.7 69.0 71.1 338 338 A L H 3< S+ 0 0 143 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 101.7 56.1 -67.2 -30.3 25.4 66.3 68.4 339 339 A A T 3< S+ 0 0 87 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.489 93.1 84.9 -78.3 -8.1 22.6 64.3 70.0 340 340 A R S < S- 0 0 134 -3,-1.1 0, 0.0 -4,-0.2 0, 0.0 -0.817 91.6 -99.5 -98.2 146.6 20.0 67.1 69.7 341 341 A P - 0 0 101 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.202 21.5-140.9 -58.7 142.6 18.0 67.6 66.5 342 342 A T S S+ 0 0 146 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.841 94.7 11.9 -72.9 -33.7 19.4 70.4 64.3 343 343 A A > + 0 0 34 1,-0.1 3,-1.9 2,-0.0 -1,-0.2 -0.354 62.1 148.0-147.4 65.1 15.9 71.6 63.4 344 344 A A T 3 S+ 0 0 90 -3,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.771 77.3 70.9 -67.3 -22.3 13.0 70.2 65.4 345 345 A D T 3 S- 0 0 95 1,-0.2 4,-0.5 -3,-0.1 -1,-0.3 0.613 109.2-123.9 -66.7 -16.6 11.4 73.6 64.8 346 346 A G <> - 0 0 30 -3,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.046 25.8 -65.2 93.6 166.2 11.0 72.5 61.1 347 347 A L H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 127.3 50.4 -56.2 -53.0 11.9 73.7 57.7 348 348 A Q H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 111.5 49.6 -57.9 -42.3 9.9 76.9 57.6 349 349 A A H > S+ 0 0 39 -4,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.913 111.1 49.4 -60.9 -43.6 11.3 78.0 61.1 350 350 A L H < S+ 0 0 73 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.896 110.1 51.6 -61.8 -44.2 14.8 77.3 59.9 351 351 A L H < S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 114.1 42.9 -63.2 -31.9 14.2 79.4 56.7 352 352 A D H < S+ 0 0 113 -4,-1.8 2,-1.0 -5,-0.2 -1,-0.2 0.604 88.9 104.8 -89.9 -10.2 12.9 82.3 58.7 353 353 A D >< - 0 0 58 -4,-1.1 3,-1.4 -3,-0.5 5,-0.2 -0.612 47.8-172.6 -77.0 103.2 15.6 82.1 61.4 354 354 A R G > >S+ 0 0 126 -2,-1.0 5,-3.3 1,-0.3 3,-1.2 0.693 81.4 68.9 -68.5 -17.5 18.1 84.9 60.9 355 355 A S G 3 5S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.649 94.7 57.2 -75.1 -15.1 20.3 83.5 63.6 356 356 A A G < 5S- 0 0 43 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.512 133.0 -16.7 -87.5 -10.6 21.0 80.6 61.3 357 357 A F T X 5S+ 0 0 179 -3,-1.2 3,-1.2 -4,-0.2 5,-0.1 0.157 125.8 51.1-150.1 -75.0 22.3 82.8 58.4 358 358 A E T 3 5S+ 0 0 101 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.915 129.8 23.1 -50.7 -45.2 21.9 86.5 57.9 359 359 A E T 3 + 0 0 97 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 -0.796 24.8 178.6 -92.8 92.3 28.6 85.0 63.3 362 362 A V H > S+ 0 0 89 -2,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.827 76.4 54.8 -60.5 -42.9 30.7 82.6 61.4 363 363 A D H > S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.819 108.6 47.1 -63.2 -37.5 34.0 84.0 62.8 364 364 A A H 4 S+ 0 0 49 -3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.904 114.8 47.0 -70.0 -43.3 33.0 83.5 66.4 365 365 A A H >< S+ 0 0 21 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.902 111.0 52.2 -62.8 -45.7 31.7 80.0 65.7 366 366 A A H 3< S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 102.7 59.2 -61.1 -31.4 34.9 79.1 63.8 367 367 A A T 3< S+ 0 0 84 -4,-1.3 2,-0.6 -3,-0.1 -1,-0.3 0.602 79.9 106.0 -76.4 -11.8 37.1 80.3 66.7 368 368 A R < - 0 0 149 -3,-1.4 2,-0.1 -4,-0.4 -3,-0.0 -0.575 69.0-136.6 -74.6 120.1 35.6 77.8 69.1 369 369 A G - 0 0 58 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 -0.415 2.0-140.9 -73.2 148.7 38.0 75.0 69.7 370 370 A M - 0 0 77 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.672 19.7-145.0 -83.5 -19.2 36.6 71.4 69.8 371 371 A A > + 0 0 51 1,-0.1 4,-1.5 3,-0.0 -38,-0.1 0.718 50.7 141.6 57.9 28.7 38.8 70.2 72.7 372 372 A F H > + 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.796 62.1 56.8 -69.4 -30.5 39.1 66.8 71.0 373 373 A E H > S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 105.5 49.9 -72.4 -37.1 42.7 66.2 72.0 374 374 A R H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.928 113.6 48.0 -62.9 -45.3 42.1 66.6 75.7 375 375 A L H X S+ 0 0 24 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.931 111.2 49.6 -59.0 -45.8 39.2 64.1 75.3 376 376 A D H X S+ 0 0 46 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.844 108.2 53.4 -66.2 -32.2 41.4 61.7 73.4 377 377 A Q H X S+ 0 0 100 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.865 106.2 52.9 -70.3 -34.1 44.2 61.8 76.0 378 378 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.903 109.4 49.9 -63.3 -38.1 41.7 61.0 78.7 379 379 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.870 111.6 47.6 -65.9 -37.9 40.6 58.0 76.7 380 380 A M H X S+ 0 0 48 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.940 110.7 51.6 -66.8 -46.3 44.3 56.9 76.3 381 381 A D H X>S+ 0 0 37 -4,-3.0 5,-3.0 1,-0.2 4,-0.7 0.903 112.2 47.7 -56.0 -45.1 44.9 57.4 80.0 382 382 A H H ><5S+ 0 0 10 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.942 110.2 49.9 -64.9 -47.1 41.9 55.2 80.7 383 383 A L H 3<5S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.2 44.5 -57.7 -41.7 42.9 52.4 78.3 384 384 A L H 3<5S- 0 0 115 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.463 110.6-118.1 -81.2 -5.2 46.4 52.2 79.7 385 385 A G T <<5S+ 0 0 44 -3,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.858 78.4 128.5 71.5 35.5 45.3 52.3 83.4 386 386 A A < 0 0 67 -5,-3.0 -4,-0.2 1,-0.3 -5,-0.1 -0.151 360.0 360.0-110.3 29.3 47.2 55.6 83.9 387 387 A R 0 0 118 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.700 360.0 360.0-172.2 360.0 43.8 56.6 85.2