==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-JAN-03 1OAD . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR U.A.RAMAGOPAL,M.DAUTER,Z.DAUTER . 773 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 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 . 41 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 6 4 2 0 2 2 4 0 0 4 0 0 0 0 2 0 2 2 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 8 4 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 0 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 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 N 0 0 72 0, 0.0 306,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.2 45.4 28.0 6.6 2 3 A Y + 0 0 57 1,-0.2 308,-0.2 308,-0.1 309,-0.1 0.844 360.0 176.3 52.7 51.8 46.2 31.0 4.4 3 4 A Q - 0 0 145 307,-0.1 2,-0.2 304,-0.0 -1,-0.2 -0.753 21.7-136.8 -95.1 118.2 49.4 29.4 3.1 4 5 A P - 0 0 19 0, 0.0 43,-0.1 0, 0.0 303,-0.0 -0.533 21.8-176.5 -72.7 154.9 51.2 31.5 0.5 5 6 A T > - 0 0 60 -2,-0.2 3,-2.8 1,-0.0 5,-0.4 -0.930 45.0 -94.5-138.0 168.4 52.7 30.0 -2.6 6 7 A P G > S+ 0 0 57 0, 0.0 3,-2.1 0, 0.0 42,-0.1 0.791 117.8 69.8 -54.6 -31.1 54.7 31.6 -5.5 7 8 A E G 3 S+ 0 0 154 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.739 86.0 67.4 -62.6 -18.6 51.5 32.0 -7.6 8 9 A D G < S- 0 0 37 -3,-2.8 -1,-0.3 38,-0.2 275,-0.2 0.580 102.8-134.9 -77.2 -7.8 50.4 34.7 -5.1 9 10 A R < + 0 0 53 -3,-2.1 274,-2.6 -4,-0.3 2,-0.4 0.729 39.8 168.1 62.4 38.0 53.3 36.9 -6.3 10 11 A F E +a 283 0A 1 -5,-0.4 38,-3.1 36,-0.3 39,-1.6 -0.497 7.6 177.2 -83.9 132.2 54.5 38.0 -2.9 11 12 A T E -ab 284 49A 0 272,-2.2 274,-2.7 -2,-0.4 2,-0.4 -0.913 12.8-159.0-131.4 160.0 58.0 39.7 -3.1 12 13 A F E -ab 285 50A 0 37,-1.0 39,-1.8 -2,-0.3 274,-0.1 -1.000 23.2-113.1-143.0 142.7 60.3 41.3 -0.5 13 14 A G E >> - b 0 51A 0 272,-1.5 3,-1.9 -2,-0.4 4,-0.8 -0.452 23.3-130.0 -65.0 139.7 63.1 43.7 -0.6 14 15 A L H 3> S+ 0 0 11 37,-2.6 4,-1.1 1,-0.3 -1,-0.2 0.860 111.8 57.1 -55.4 -32.8 66.5 42.3 0.4 15 16 A W H 34 S+ 0 0 53 36,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.434 98.3 65.3 -75.3 -5.6 66.7 45.3 2.7 16 17 A T H X4 S+ 0 0 0 -3,-1.9 3,-2.5 2,-0.2 -2,-0.1 0.923 114.0 22.4 -84.6 -76.9 63.5 44.4 4.5 17 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.783 125.1 60.3 -62.9 -23.6 64.2 41.1 6.2 18 19 A G T 3< S+ 0 0 20 -4,-1.1 15,-0.4 -5,-0.4 -1,-0.3 0.467 72.0 128.4 -83.8 4.8 67.9 42.2 6.1 19 20 A W < - 0 0 43 -3,-2.5 -3,-0.1 1,-0.1 12,-0.0 -0.479 49.7-154.8 -66.9 122.9 67.3 45.3 8.1 20 21 A E - 0 0 80 -2,-0.3 9,-2.0 9,-0.1 10,-2.0 0.499 39.8-110.5 -77.6 -6.9 69.9 45.3 10.9 21 22 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.3 270,-0.1 0.488 61.0 154.3 91.7 14.8 67.7 47.5 13.2 22 23 A R + 0 0 63 8,-0.1 -1,-0.3 390,-0.1 5,-0.2 -0.544 19.6 171.6 -76.0 118.1 69.9 50.7 13.1 23 24 A D B > -J 26 0B 14 3,-1.5 3,-1.2 -2,-0.4 5,-0.0 -0.621 51.2 -79.7-117.4-177.7 67.3 53.5 13.9 24 25 A P T 3 S+ 0 0 26 0, 0.0 386,-0.1 0, 0.0 -1,-0.0 0.908 129.7 27.3 -55.3 -31.6 67.7 57.3 14.6 25 26 A F T 3 S+ 0 0 28 456,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.088 117.0 56.0-120.7 20.9 68.6 56.6 18.2 26 27 A G B < -J 23 0B 0 -3,-1.2 -3,-1.5 548,-0.0 456,-0.2 -0.998 66.2-115.4-163.4 153.2 70.2 53.1 18.2 27 28 A D - 0 0 64 455,-2.4 -4,-0.1 -2,-0.3 -2,-0.1 -0.208 55.6 -71.2 -79.5 167.0 72.7 50.6 17.0 28 29 A A - 0 0 39 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.426 34.3-168.9 -59.6 144.4 72.0 47.5 15.0 29 30 A T + 0 0 34 -9,-2.0 2,-0.3 -3,-0.1 -8,-0.2 0.377 69.9 45.6-109.4 -8.9 70.4 44.7 16.8 30 31 A R S S- 0 0 16 -10,-2.0 -8,-0.1 264,-0.1 -1,-0.1 -0.984 82.7-111.1-131.0 154.5 70.9 41.9 14.2 31 32 A R - 0 0 128 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.296 48.2 -87.6 -76.7 158.6 73.8 40.8 12.0 32 33 A A - 0 0 56 1,-0.1 2,-0.4 -12,-0.0 -1,-0.1 -0.459 41.6-131.4 -63.8 146.5 73.7 41.4 8.3 33 34 A L - 0 0 25 -15,-0.4 -1,-0.1 -2,-0.1 -15,-0.0 -0.782 12.5-124.6 -99.2 138.8 72.1 38.7 6.2 34 35 A D >> - 0 0 55 -2,-0.4 4,-1.8 1,-0.1 3,-0.9 -0.667 24.1-125.8 -74.7 135.2 73.7 37.3 3.1 35 36 A P H 3> S+ 0 0 27 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.848 109.7 61.8 -51.1 -29.8 71.2 37.7 0.2 36 37 A V H 3> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 103.6 49.2 -59.7 -42.6 71.5 33.9 -0.4 37 38 A E H <> S+ 0 0 64 -3,-0.9 4,-2.8 1,-0.2 5,-0.3 0.928 111.7 48.4 -62.4 -43.2 70.1 33.2 3.0 38 39 A S H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.944 110.0 50.8 -65.0 -43.5 67.2 35.7 2.5 39 40 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.941 114.2 44.5 -58.5 -43.1 66.3 34.2 -0.9 40 41 A R H X S+ 0 0 116 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.914 114.4 47.4 -71.2 -40.0 66.2 30.7 0.4 41 42 A R H X S+ 0 0 81 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.915 112.4 49.2 -65.9 -39.3 64.3 31.5 3.6 42 43 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.3 4,-0.5 0.926 109.1 52.4 -64.9 -38.0 61.7 33.5 1.8 43 44 A A H ><5S+ 0 0 29 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.923 105.4 55.6 -63.9 -36.3 61.2 30.8 -0.7 44 45 A E H 3<5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 106.3 52.6 -61.5 -32.6 60.6 28.4 2.1 45 46 A L T 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.538 127.9 -95.7 -78.8 -3.0 57.9 30.7 3.4 46 47 A G T < 5 + 0 0 8 -3,-1.5 -36,-0.3 -4,-0.5 -38,-0.2 0.582 69.9 152.7 103.3 12.0 56.1 30.8 0.1 47 48 A A < - 0 0 3 -5,-2.6 -1,-0.2 -6,-0.1 -36,-0.2 -0.281 38.3-149.7 -72.3 162.6 57.5 34.0 -1.5 48 49 A H - 0 0 37 -38,-3.1 36,-2.4 1,-0.2 2,-0.3 0.677 66.2 -36.1 -97.5 -29.8 57.7 34.4 -5.3 49 50 A G E -bc 11 84A 0 -39,-1.6 -37,-1.0 34,-0.2 2,-0.3 -0.976 49.8-113.9-174.1-173.8 60.7 36.7 -5.4 50 51 A V E -b 12 0A 0 34,-2.1 37,-0.5 -2,-0.3 2,-0.3 -0.832 15.2-149.3-135.9 166.7 62.9 39.4 -4.0 51 52 A T E -bc 13 87A 0 -39,-1.8 -37,-2.6 -2,-0.3 2,-0.3 -0.881 16.7-163.6-134.1 167.7 63.9 42.9 -5.1 52 53 A F E - c 0 88A 0 35,-0.8 37,-2.1 -2,-0.3 2,-0.4 -1.000 24.3-130.8-153.0 148.5 67.1 44.9 -4.4 53 54 A H E >> - c 0 89A 17 -2,-0.3 3,-2.2 35,-0.2 4,-1.2 -0.797 43.6-111.6 -84.2 149.1 68.9 48.1 -4.3 54 55 A D H >> S+ 0 0 12 35,-1.7 4,-2.7 -2,-0.4 3,-1.0 0.913 119.0 49.8 -40.6 -49.3 72.3 48.0 -6.1 55 56 A D H 34 S+ 0 0 39 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.531 100.4 63.0 -77.5 -11.1 74.1 48.4 -2.8 56 57 A D H <4 S+ 0 0 48 -3,-2.2 -1,-0.3 3,-0.1 -2,-0.2 0.718 116.4 30.7 -74.2 -34.7 72.1 45.6 -1.1 57 58 A L H << S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-1.0 -3,-0.1 0.837 129.9 33.9 -94.1 -35.4 73.6 43.1 -3.6 58 59 A I S < S- 0 0 10 -4,-2.7 -1,-0.3 -5,-0.3 3,-0.1 -0.942 89.4-123.0-124.2 108.5 77.0 44.6 -4.3 59 60 A P > - 0 0 64 0, 0.0 3,-1.9 0, 0.0 -3,-0.1 -0.118 42.4 -92.3 -47.8 138.8 78.7 46.5 -1.4 60 61 A F T 3 S+ 0 0 100 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.210 112.1 21.2 -53.1 134.6 79.4 50.0 -2.4 61 62 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.556 85.6 159.8 82.9 8.4 83.0 50.4 -3.8 62 63 A S < - 0 0 22 -3,-1.9 -1,-0.2 -4,-0.1 -4,-0.0 -0.349 41.6-117.2 -63.5 147.1 83.3 46.7 -4.8 63 64 A S > - 0 0 54 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.233 31.1-105.6 -71.3 165.1 85.9 45.7 -7.4 64 65 A D H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.881 123.0 55.0 -61.5 -36.3 84.6 44.1 -10.6 65 66 A S H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 110.2 44.3 -63.1 -46.1 85.8 40.8 -9.3 66 67 A E H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 111.1 54.9 -63.6 -39.7 83.9 41.1 -6.1 67 68 A R H X S+ 0 0 46 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.925 106.1 52.2 -57.1 -50.2 80.8 42.3 -8.0 68 69 A E H X S+ 0 0 129 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.902 110.9 46.5 -57.9 -41.6 80.9 39.2 -10.3 69 70 A E H X S+ 0 0 88 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.859 110.4 52.4 -71.3 -34.6 81.0 36.8 -7.3 70 71 A H H X S+ 0 0 66 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.937 113.6 43.6 -62.9 -44.4 78.2 38.6 -5.5 71 72 A V H X S+ 0 0 17 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.929 111.2 55.0 -67.4 -39.7 76.0 38.4 -8.5 72 73 A K H X S+ 0 0 100 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.916 109.7 46.7 -57.3 -46.4 76.9 34.8 -9.2 73 74 A R H X S+ 0 0 94 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.907 112.7 49.0 -63.7 -36.8 75.9 33.8 -5.7 74 75 A F H X S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.966 112.0 47.2 -64.8 -48.9 72.6 35.6 -5.9 75 76 A R H X S+ 0 0 102 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.895 109.6 56.6 -61.1 -32.2 71.7 34.2 -9.3 76 77 A Q H X S+ 0 0 93 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.925 107.7 46.5 -61.8 -44.2 72.7 30.8 -7.9 77 78 A A H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 6,-0.4 0.905 112.2 49.9 -65.1 -41.0 70.2 31.1 -5.0 78 79 A L H X>S+ 0 0 14 -4,-2.3 4,-2.2 -5,-0.2 5,-0.7 0.944 113.4 46.8 -59.1 -44.9 67.5 32.3 -7.3 79 80 A D H <5S+ 0 0 129 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.879 111.3 50.7 -66.7 -38.1 68.1 29.4 -9.7 80 81 A D H <5S+ 0 0 107 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 122.2 32.0 -67.1 -30.5 68.2 26.8 -6.9 81 82 A T H <5S- 0 0 43 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.691 101.2-119.3-103.2 -15.7 64.9 28.1 -5.4 82 83 A G T <5 + 0 0 46 -4,-2.2 -3,-0.2 1,-0.3 -4,-0.1 0.542 60.0 151.1 86.9 5.1 62.8 29.2 -8.3 83 84 A M < - 0 0 7 -5,-0.7 -1,-0.3 -6,-0.4 -34,-0.2 -0.420 31.2-148.7 -73.8 152.6 62.7 32.8 -7.0 84 85 A K E -c 49 0A 115 -36,-2.4 -34,-2.1 -2,-0.1 45,-0.1 -0.630 12.4-138.2-113.3 173.0 62.3 35.7 -9.3 85 86 A V E + 0 0 5 43,-0.5 -34,-0.1 -36,-0.2 -36,-0.1 -0.804 28.8 166.3-129.7 87.1 63.5 39.4 -9.3 86 87 A P E + 0 0 5 0, 0.0 45,-1.9 0, 0.0 46,-1.5 0.629 63.7 24.6 -80.4 -21.7 60.6 41.5 -10.6 87 88 A M E -cd 51 132A 1 -37,-0.5 -35,-0.8 43,-0.2 2,-0.3 -0.997 57.8-179.9-146.2 147.9 61.9 44.9 -9.5 88 89 A A E -cd 52 133A 0 44,-1.6 46,-2.7 -2,-0.3 2,-0.3 -0.940 5.8-175.2-141.2 169.2 65.1 46.6 -8.7 89 90 A T E -cd 53 134A 6 -37,-2.1 -35,-1.7 -2,-0.3 2,-0.3 -0.937 24.3-107.9-157.4 170.4 66.1 50.2 -7.6 90 91 A T - 0 0 10 44,-0.7 2,-1.1 -2,-0.3 46,-0.3 -0.888 22.7-126.4-110.8 137.7 69.2 52.3 -6.9 91 92 A N + 0 0 9 -2,-0.3 4,-0.2 1,-0.1 44,-0.0 -0.849 42.7 155.5 -84.0 106.4 70.5 53.5 -3.5 92 93 A L + 0 0 15 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.261 66.1 52.5-115.1 36.5 70.7 57.2 -4.0 93 94 A F S S+ 0 0 16 45,-0.1 -1,-0.1 46,-0.1 322,-0.1 0.628 88.3 64.4-143.7 -21.6 70.3 58.0 -0.3 94 95 A T S S+ 0 0 36 320,-0.2 321,-2.3 3,-0.0 317,-0.1 0.936 82.7 77.7 -80.1 -48.5 72.8 56.2 2.0 95 96 A H S > S- 0 0 64 -4,-0.2 3,-2.4 319,-0.2 322,-0.1 -0.334 85.0-123.3 -67.1 136.6 76.2 57.5 0.9 96 97 A P G > S+ 0 0 37 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.742 106.5 73.6 -53.3 -19.5 77.1 61.0 2.3 97 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.742 95.0 54.6 -64.3 -27.5 77.6 62.3 -1.3 98 99 A F G X S+ 0 0 1 -3,-2.4 3,-1.9 1,-0.2 -1,-0.3 0.155 70.2 117.8 -87.3 18.0 73.8 62.1 -1.6 99 100 A K T < S+ 0 0 70 -3,-2.0 -1,-0.2 1,-0.3 581,-0.1 0.790 86.5 31.9 -64.1 -17.1 73.1 64.3 1.4 100 101 A D T 3 S- 0 0 26 1,-0.4 41,-0.4 -3,-0.4 -1,-0.3 0.296 131.5 -73.6-119.8 24.0 71.4 67.0 -0.7 101 102 A G < - 0 0 0 -3,-1.9 -1,-0.4 4,-0.1 39,-0.1 -0.566 27.7-119.2 115.7 165.5 69.9 64.6 -3.3 102 103 A G S > S+ 0 0 0 -2,-0.2 3,-1.4 -3,-0.1 12,-0.2 0.661 107.0 18.5-106.1 -84.0 70.9 62.4 -6.2 103 104 A F T 3 S+ 0 0 13 1,-0.3 57,-0.2 11,-0.1 8,-0.1 0.663 140.1 35.3 -64.5 -24.2 69.0 63.6 -9.3 104 105 A T T 3 S+ 0 0 3 53,-0.1 -1,-0.3 6,-0.1 37,-0.1 0.172 80.6 139.5-117.2 23.8 68.2 67.0 -7.7 105 106 A A < - 0 0 3 -3,-1.4 6,-0.2 1,-0.2 -4,-0.1 -0.261 59.6-128.4 -56.5 139.3 71.5 67.5 -5.7 106 107 A N S S+ 0 0 93 -6,-0.2 2,-0.5 41,-0.1 -1,-0.2 0.884 93.7 82.3 -60.8 -32.5 72.5 71.2 -6.0 107 108 A D S > S- 0 0 96 1,-0.2 4,-1.6 -6,-0.1 3,-0.4 -0.604 72.8-153.5 -73.9 119.4 76.0 70.0 -7.1 108 109 A R H > S+ 0 0 150 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.869 93.3 59.4 -65.1 -33.9 75.8 69.2 -10.8 109 110 A D H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.851 105.3 50.6 -62.8 -32.8 78.7 66.6 -10.5 110 111 A V H > S+ 0 0 12 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.904 107.4 52.3 -70.4 -39.9 76.5 64.7 -8.0 111 112 A R H X S+ 0 0 49 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.901 110.3 48.9 -61.8 -40.8 73.5 64.7 -10.3 112 113 A R H X S+ 0 0 148 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 111.7 48.3 -66.5 -41.7 75.7 63.2 -13.1 113 114 A Y H X S+ 0 0 84 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.927 107.7 56.2 -64.4 -41.6 77.1 60.5 -10.8 114 115 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.924 109.2 46.6 -55.6 -45.1 73.5 59.6 -9.6 115 116 A L H X S+ 0 0 26 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.915 111.6 50.2 -67.2 -41.0 72.5 59.0 -13.2 116 117 A R H X S+ 0 0 184 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.887 111.6 49.0 -61.3 -37.6 75.6 56.9 -13.9 117 118 A K H X S+ 0 0 16 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.896 112.8 48.3 -70.4 -41.0 75.0 54.8 -10.8 118 119 A T H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.918 110.0 50.6 -58.7 -50.3 71.4 54.3 -11.8 119 120 A I H X S+ 0 0 37 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.887 106.5 55.2 -61.4 -42.3 72.2 53.3 -15.4 120 121 A R H X S+ 0 0 122 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.880 111.5 44.9 -57.4 -39.8 74.7 50.7 -14.3 121 122 A N H X S+ 0 0 1 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.782 103.4 62.8 -78.0 -26.2 72.1 49.0 -12.1 122 123 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.947 102.5 52.2 -59.5 -41.4 69.4 49.2 -14.8 123 124 A D H X S+ 0 0 44 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.901 112.4 44.6 -59.8 -40.9 71.6 46.9 -16.9 124 125 A L H X S+ 0 0 7 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.899 109.8 55.6 -68.6 -41.1 71.9 44.4 -14.0 125 126 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.3 0.942 109.2 46.8 -54.9 -45.7 68.2 44.6 -13.2 126 127 A V H ><5S+ 0 0 46 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.896 108.1 56.0 -67.7 -37.8 67.4 43.6 -16.8 127 128 A E H 3<5S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 108.8 48.7 -55.9 -37.3 69.9 40.8 -16.7 128 129 A L T 3<5S- 0 0 19 -4,-2.0 -43,-0.5 -5,-0.1 -1,-0.3 0.420 123.2-104.3 -87.2 4.1 68.0 39.5 -13.6 129 130 A G T < 5 + 0 0 45 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.600 59.0 163.8 94.8 10.0 64.6 39.7 -15.3 130 131 A A < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -43,-0.2 -0.445 23.3-171.6 -67.2 142.7 63.2 42.8 -13.6 131 132 A E S S+ 0 0 115 -45,-1.9 45,-2.0 1,-0.1 2,-0.4 0.548 71.9 46.7-100.9 -17.9 60.1 44.4 -15.3 132 133 A T E -de 87 176A 8 -46,-1.5 -44,-1.6 43,-0.2 2,-0.5 -0.976 59.8-162.0-132.6 137.8 60.0 47.5 -13.1 133 134 A Y E -de 88 177A 2 43,-2.7 45,-2.4 -2,-0.4 2,-0.3 -0.979 20.1-154.2-119.6 111.0 62.8 49.9 -12.0 134 135 A V E -de 89 178A 2 -46,-2.7 -44,-0.7 -2,-0.5 2,-0.5 -0.645 8.7-162.4 -93.2 147.8 61.8 52.0 -8.9 135 136 A A E - e 0 179A 16 43,-2.5 45,-2.8 -2,-0.3 2,-0.5 -0.993 5.9-176.7-126.1 121.2 63.1 55.4 -8.0 136 137 A W - 0 0 30 -2,-0.5 2,-1.8 -46,-0.3 -44,-0.3 -0.962 12.8-158.6-114.8 108.0 62.6 56.6 -4.4 137 138 A G > + 0 0 25 -2,-0.5 3,-1.6 43,-0.4 54,-0.3 -0.425 30.6 155.9 -84.5 66.5 64.0 60.2 -4.2 138 139 A G T 3 S+ 0 0 1 -2,-1.8 49,-0.9 1,-0.3 -1,-0.2 0.704 73.8 44.0 -68.1 -29.3 64.4 60.1 -0.4 139 140 A R T 3 S+ 0 0 3 -47,-0.3 2,-0.8 -3,-0.2 -1,-0.3 0.382 87.2 105.8 -95.3 9.3 67.1 62.8 -0.5 140 141 A E S < S+ 0 0 3 -3,-1.6 51,-2.5 51,-0.1 2,-0.3 -0.726 70.0 40.0 -94.8 116.3 65.3 65.1 -3.0 141 142 A G E S-K 190 0C 1 -2,-0.8 2,-0.3 -41,-0.4 49,-0.2 -0.984 76.2 -99.5 152.3-148.4 64.0 68.0 -1.0 142 143 A A E -K 189 0C 16 47,-2.0 47,-1.5 -2,-0.3 3,-0.1 -0.990 11.3-141.0-165.0 164.8 65.0 70.3 1.8 143 144 A E S S+ 0 0 38 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.522 94.3 37.4-106.7 -17.0 64.9 71.3 5.5 144 145 A S S > S- 0 0 71 45,-0.1 3,-0.9 1,-0.1 4,-0.4 -0.962 79.9-119.8-138.7 159.2 64.8 75.1 4.7 145 146 A G G > S+ 0 0 76 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.793 105.9 49.4 -75.8 -28.1 63.2 77.3 2.1 146 147 A G G 3 S+ 0 0 85 1,-0.2 -1,-0.2 3,-0.1 3,-0.2 0.506 96.0 73.7 -77.8 -23.4 66.3 78.9 0.5 147 148 A A G < S+ 0 0 36 -3,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.699 101.2 33.1 -70.0 -22.6 68.2 75.6 -0.0 148 149 A K < - 0 0 12 -3,-0.6 2,-0.7 -4,-0.4 -1,-0.2 -0.961 62.0-152.4-142.5 119.9 66.2 74.3 -2.9 149 150 A D > - 0 0 74 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 -0.819 20.3-155.8 -84.0 114.8 64.4 76.2 -5.7 150 151 A V H > S+ 0 0 71 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.820 87.8 52.4 -71.2 -40.9 61.7 73.6 -6.4 151 152 A R H > S+ 0 0 191 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 112.9 46.3 -63.7 -37.4 61.0 74.6 -10.0 152 153 A D H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.915 113.4 50.0 -62.8 -43.6 64.7 74.3 -10.8 153 154 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.912 109.1 50.8 -67.7 -35.1 64.8 70.9 -8.9 154 155 A L H X S+ 0 0 57 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.856 108.0 53.4 -65.0 -39.3 61.7 69.7 -10.9 155 156 A D H X S+ 0 0 81 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.912 111.7 45.4 -58.8 -41.4 63.5 70.7 -14.1 156 157 A R H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.890 112.1 51.6 -70.9 -34.4 66.5 68.6 -13.0 157 158 A M H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.919 111.5 46.6 -67.3 -43.2 64.3 65.7 -11.9 158 159 A K H X S+ 0 0 47 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.911 110.3 54.3 -65.5 -42.7 62.5 65.7 -15.3 159 160 A E H X S+ 0 0 90 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.906 110.7 46.0 -52.4 -50.6 66.0 65.9 -17.1 160 161 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.956 113.5 46.7 -64.7 -45.8 67.1 62.8 -15.2 161 162 A F H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.868 112.5 51.1 -65.2 -36.6 64.0 60.7 -15.8 162 163 A D H X S+ 0 0 20 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.899 109.6 49.5 -70.6 -38.2 64.0 61.7 -19.5 163 164 A L H X S+ 0 0 82 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.878 110.9 50.6 -60.8 -43.4 67.7 60.6 -19.9 164 165 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.895 109.4 50.1 -65.4 -36.3 66.9 57.3 -18.2 165 166 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.890 109.7 52.5 -67.5 -36.2 63.9 56.8 -20.6 166 167 A E H X S+ 0 0 107 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.863 110.7 48.1 -61.7 -43.2 66.4 57.6 -23.5 167 168 A Y H X S+ 0 0 48 -4,-2.1 4,-1.8 2,-0.2 6,-0.2 0.945 112.3 46.3 -66.5 -48.4 68.7 54.9 -22.1 168 169 A V H <>S+ 0 0 2 -4,-2.4 5,-2.1 1,-0.2 4,-0.3 0.901 117.5 43.1 -64.5 -38.4 66.1 52.2 -21.7 169 170 A T H ><5S+ 0 0 55 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.923 111.1 54.9 -78.0 -35.6 64.6 52.7 -25.2 170 171 A S H 3<5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 112.1 45.4 -58.1 -37.5 68.1 53.1 -26.9 171 172 A Q T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.476 112.4-121.3 -86.7 -6.9 69.0 49.7 -25.4 172 173 A G T < 5 + 0 0 58 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.1 0.669 55.1 159.7 69.4 27.1 65.6 48.1 -26.4 173 174 A Y < - 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0 0 0 -35,-2.4 29,-0.2 -2,-0.3 2,-0.2 -0.773 28.9-164.8-120.0 79.5 55.1 52.5 -6.8 215 216 A P - 0 0 0 0, 0.0 29,-2.6 0, 0.0 2,-0.4 -0.454 6.3-147.9 -68.8 146.8 52.9 53.8 -3.9 216 217 A E B >> -h 244 0A 0 -35,-0.4 4,-1.8 27,-0.2 3,-0.6 -0.918 12.2-135.2-117.9 130.2 53.7 52.6 -0.4 217 218 A V H 3> S+ 0 0 7 27,-2.2 4,-1.8 -2,-0.4 3,-0.1 0.913 103.5 45.0 -45.4 -55.7 51.0 52.2 2.2 218 219 A G H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.781 106.8 58.9 -66.5 -29.7 52.8 54.0 5.0 219 220 A H H <4 S+ 0 0 3 -3,-0.6 4,-0.4 2,-0.2 3,-0.3 0.933 107.7 43.9 -74.8 -34.0 54.0 56.9 2.9 220 221 A E H ><>S+ 0 0 5 -4,-1.8 5,-2.1 1,-0.3 3,-1.4 0.918 112.6 54.3 -71.1 -32.9 50.6 58.1 1.9 221 222 A Q H ><5S+ 0 0 15 -4,-1.8 3,-2.0 -5,-0.3 -1,-0.3 0.786 94.8 68.7 -71.7 -25.8 49.5 57.6 5.5 222 223 A M T 3<5S+ 0 0 5 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.594 104.2 44.2 -59.9 -24.8 52.4 59.8 6.7 223 224 A A T < 5S- 0 0 43 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.204 121.1-112.0 -99.6 9.3 50.4 62.6 5.0 224 225 A G T < 5 + 0 0 51 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.696 69.9 144.0 68.4 17.9 47.1 61.4 6.6 225 226 A L < - 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