==== 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 22-JUL-97 1XLM . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP. NRRL; . AUTHOR T.GERCZEI,Z.S.BOCSKEI,E.SZABO,G.NARAY-SZABO,B.ASBOTH . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 8.7 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 . 1 0.1 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 . 43 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.1 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 . 20 2.5 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 0 0 2 0 4 2 1 3 0 0 0 0 2 0 0 2 2 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 V 0 0 87 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 124.6 64.2 18.1 15.0 2 3 A Q - 0 0 141 313,-0.1 2,-0.2 309,-0.0 43,-0.1 -0.991 360.0-133.7-122.1 121.7 65.1 19.4 18.5 3 4 A P - 0 0 10 0, 0.0 43,-0.1 0, 0.0 309,-0.1 -0.473 20.7-173.9 -76.1 150.4 64.9 23.2 19.2 4 5 A T > - 0 0 61 -2,-0.2 3,-2.2 1,-0.0 4,-0.4 -0.931 43.1-102.7-136.9 158.2 67.6 25.2 20.9 5 6 A P G > S+ 0 0 70 0, 0.0 3,-1.3 0, 0.0 42,-0.1 0.701 115.2 76.1 -55.6 -18.9 67.6 28.9 22.0 6 7 A A G 3 S+ 0 0 70 1,-0.3 40,-0.0 2,-0.1 41,-0.0 0.872 87.0 59.8 -59.4 -36.1 69.8 29.5 19.0 7 8 A D G < S- 0 0 35 -3,-2.2 -1,-0.3 38,-0.2 281,-0.2 0.711 106.0-135.2 -65.3 -21.5 66.6 29.3 16.9 8 9 A H < + 0 0 75 -3,-1.3 280,-2.4 -4,-0.4 2,-0.4 0.913 36.7 172.6 65.3 47.3 65.2 32.2 18.9 9 10 A F E -a 288 0A 1 36,-0.3 38,-3.3 -5,-0.3 39,-1.5 -0.722 6.8-175.7 -87.2 133.6 61.8 30.8 19.6 10 11 A T E -ab 289 48A 0 278,-1.7 280,-2.8 -2,-0.4 2,-0.3 -0.948 10.2-162.1-131.8 152.2 59.7 32.9 22.0 11 12 A F E -ab 290 49A 0 37,-1.3 39,-2.1 -2,-0.3 2,-0.3 -0.961 22.4-118.3-132.9 148.2 56.2 32.5 23.6 12 13 A G E >> - b 0 50A 0 278,-0.9 3,-1.6 -2,-0.3 4,-1.0 -0.680 21.4-128.7 -84.7 143.6 53.8 34.9 25.2 13 14 A L H 3> S+ 0 0 10 37,-3.1 4,-1.3 -2,-0.3 38,-0.1 0.841 112.0 56.1 -57.4 -32.3 53.0 34.2 28.9 14 15 A W H 34 S+ 0 0 41 36,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.610 96.6 64.6 -76.3 -16.3 49.4 34.4 27.8 15 16 A T H X4 S+ 0 0 0 -3,-1.6 3,-1.4 2,-0.2 -2,-0.2 0.991 117.4 22.7 -70.1 -68.6 49.7 31.7 25.1 16 17 A V H 3< S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.768 122.0 63.2 -68.0 -24.5 50.5 28.8 27.4 17 18 A G T 3< S+ 0 0 24 -4,-1.3 2,-0.4 -5,-0.4 15,-0.3 0.490 72.9 118.0 -79.0 -4.9 48.8 30.7 30.2 18 19 A W < - 0 0 45 -3,-1.4 -3,-0.0 -4,-0.3 -4,-0.0 -0.527 49.0-163.3 -67.0 120.8 45.4 30.7 28.5 19 20 A T - 0 0 40 -2,-0.4 9,-2.7 10,-0.1 10,-2.2 0.502 45.4 -99.5 -85.1 -7.4 43.0 28.8 30.7 20 21 A G + 0 0 0 1,-0.3 2,-0.2 7,-0.3 276,-0.1 0.340 66.9 148.4 110.6 -9.8 40.3 28.2 28.1 21 22 A A + 0 0 50 8,-0.1 -1,-0.3 3,-0.1 5,-0.2 -0.434 21.3 164.0 -63.3 124.6 37.7 30.9 28.7 22 23 A D B > -J 25 0B 65 3,-1.1 3,-0.9 -2,-0.2 5,-0.0 -0.645 54.3 -76.0-127.9-170.6 36.1 31.8 25.4 23 24 A P T 3 S+ 0 0 111 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.900 128.3 31.2 -59.9 -37.4 33.0 33.6 24.3 24 25 A F T 3 S+ 0 0 198 2,-0.1 2,-0.3 -3,-0.0 -3,-0.1 0.202 121.4 32.1-107.4 17.8 30.6 30.7 25.1 25 26 A G B < S-J 22 0B 30 -3,-0.9 -3,-1.1 -5,-0.0 2,-0.1 -0.977 72.1-104.7-161.1 171.7 32.3 29.0 28.0 26 27 A V - 0 0 115 -2,-0.3 -4,-0.1 -5,-0.2 -2,-0.1 -0.411 57.6 -64.7 -96.3 174.4 34.4 29.3 31.2 27 28 A A - 0 0 47 -2,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.259 36.0-165.8 -59.8 145.0 38.1 28.4 31.7 28 29 A T + 0 0 61 -9,-2.7 2,-0.3 2,-0.1 -8,-0.2 0.486 69.0 53.4-110.6 -9.9 38.9 24.7 31.4 29 30 A R S S- 0 0 22 -10,-2.2 -8,-0.1 1,-0.1 -10,-0.1 -0.804 80.0-112.4-124.6 165.6 42.4 24.8 33.0 30 31 A K - 0 0 178 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.045 52.6 -59.7 -86.6-171.6 43.9 26.2 36.4 31 32 A N - 0 0 163 1,-0.0 2,-0.6 -12,-0.0 -1,-0.1 -0.682 46.9-146.6 -84.8 107.6 46.3 29.1 37.2 32 33 A L - 0 0 16 -2,-0.7 -13,-0.0 -15,-0.3 -1,-0.0 -0.639 19.7-128.7 -75.2 113.6 49.7 28.7 35.4 33 34 A D > - 0 0 79 -2,-0.6 4,-2.9 1,-0.1 5,-0.2 -0.477 7.5-136.8 -66.6 129.3 52.4 30.1 37.6 34 35 A P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.810 106.6 50.5 -60.7 -29.6 54.6 32.6 35.7 35 36 A V H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.864 110.5 48.5 -74.8 -37.5 57.6 31.2 37.3 36 37 A E H > S+ 0 0 91 2,-0.2 4,-2.9 -3,-0.2 5,-0.2 0.943 110.3 52.1 -67.0 -46.0 56.6 27.6 36.4 37 38 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.917 107.9 51.5 -55.6 -46.7 55.9 28.8 32.8 38 39 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.892 113.4 45.2 -59.7 -40.1 59.4 30.3 32.6 39 40 A H H X S+ 0 0 79 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.902 113.7 47.7 -71.9 -40.4 61.0 27.0 33.8 40 41 A K H X S+ 0 0 51 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.926 113.1 48.1 -66.4 -45.6 58.9 24.8 31.5 41 42 A L H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.8 0.892 111.2 50.4 -61.6 -43.1 59.6 26.9 28.4 42 43 A A H ><5S+ 0 0 27 -4,-1.8 3,-1.6 -5,-0.3 -2,-0.2 0.965 110.6 50.6 -57.8 -50.3 63.3 27.0 29.2 43 44 A E H 3<5S+ 0 0 142 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.851 106.6 56.1 -54.9 -38.9 63.2 23.3 29.6 44 45 A L H 3<5S- 0 0 14 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.633 123.3-100.3 -72.7 -16.1 61.4 23.0 26.2 45 46 A G T <<5 + 0 0 10 -3,-1.6 -36,-0.3 -4,-0.8 -3,-0.2 0.561 67.1 155.1 107.5 9.7 64.2 24.9 24.3 46 47 A A < - 0 0 5 -5,-2.4 -1,-0.2 -6,-0.1 -36,-0.2 -0.337 36.3-151.4 -69.5 152.0 62.6 28.3 24.1 47 48 A Y - 0 0 44 -38,-3.3 36,-1.9 1,-0.2 2,-0.3 0.760 69.0 -11.1 -92.6 -35.1 64.9 31.4 23.8 48 49 A G E -bc 10 83A 0 -39,-1.5 -37,-1.3 34,-0.2 2,-0.3 -0.951 55.2-127.0-157.0 177.7 62.6 33.9 25.4 49 50 A I E -b 11 0A 0 34,-2.6 37,-0.5 -2,-0.3 2,-0.3 -0.921 15.6-164.3-134.2 152.5 59.3 34.9 26.9 50 51 A T E +bc 12 86A 0 -39,-2.1 -37,-3.1 -2,-0.3 2,-0.3 -0.873 11.9 173.5-130.7 165.3 56.9 37.8 26.3 51 52 A F E - c 0 87A 0 35,-0.6 37,-1.8 -2,-0.3 2,-0.2 -0.963 33.8-109.5-171.5 154.0 53.9 39.2 28.2 52 53 A H E >> - c 0 88A 13 -2,-0.3 3,-1.7 35,-0.2 4,-1.2 -0.537 45.8-108.7 -79.8 152.8 51.3 41.9 28.6 53 54 A D H >> S+ 0 0 17 35,-1.4 4,-2.7 1,-0.3 3,-0.6 0.940 121.8 46.3 -52.4 -42.4 51.9 44.2 31.6 54 55 A N H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.512 96.3 71.1 -79.7 -7.2 48.9 42.5 33.3 55 56 A D H <4 S+ 0 0 48 -3,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.881 117.5 24.1 -71.3 -38.1 49.9 38.9 32.4 56 57 A L H << S+ 0 0 7 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.1 0.918 132.4 33.9 -89.6 -57.8 52.6 39.4 35.0 57 58 A I S < S- 0 0 13 -4,-2.7 -1,-0.3 -5,-0.2 9,-0.1 -0.905 87.1-124.0-108.8 118.3 51.3 42.1 37.3 58 59 A P > - 0 0 50 0, 0.0 3,-2.0 0, 0.0 -3,-0.1 -0.190 20.1-116.1 -58.2 147.9 47.5 42.3 38.0 59 60 A F T 3 S+ 0 0 90 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.860 116.3 40.4 -51.5 -42.7 45.6 45.5 37.3 60 61 A D T 3 S+ 0 0 133 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.024 86.0 142.0 -99.2 27.5 44.7 45.9 41.0 61 62 A A < - 0 0 27 -3,-2.0 2,-0.2 4,-0.1 -4,-0.0 -0.423 43.2-137.6 -73.1 142.3 48.1 44.8 42.4 62 63 A T >> - 0 0 80 -2,-0.1 4,-3.0 1,-0.1 3,-0.8 -0.592 31.6 -99.6 -92.9 160.5 49.5 46.6 45.5 63 64 A E H 3> S+ 0 0 147 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.832 123.6 50.4 -47.6 -44.2 53.2 47.6 45.7 64 65 A A H 3> S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.854 113.3 46.4 -65.4 -35.6 54.1 44.6 47.9 65 66 A E H <> S+ 0 0 92 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.934 112.8 48.9 -71.9 -45.7 52.4 42.3 45.4 66 67 A R H X S+ 0 0 101 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.944 112.5 49.9 -58.3 -47.8 54.0 43.9 42.4 67 68 A E H X S+ 0 0 119 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.877 111.5 46.0 -60.5 -41.3 57.4 43.7 44.1 68 69 A K H X S+ 0 0 129 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.887 112.9 50.6 -72.5 -35.0 57.2 40.0 45.0 69 70 A I H X S+ 0 0 38 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.975 114.2 42.4 -63.9 -56.8 55.9 39.0 41.5 70 71 A L H X S+ 0 0 24 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.887 113.6 54.6 -57.7 -41.1 58.7 40.9 39.7 71 72 A G H X S+ 0 0 40 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.947 112.1 41.4 -58.7 -52.1 61.2 39.6 42.2 72 73 A D H X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 115.3 52.1 -61.4 -44.1 60.2 35.9 41.7 73 74 A F H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.909 108.9 48.9 -60.3 -45.7 60.0 36.4 37.9 74 75 A N H X S+ 0 0 54 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.853 110.6 50.6 -65.2 -35.0 63.5 38.0 37.7 75 76 A Q H X S+ 0 0 92 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.903 109.4 51.8 -68.7 -39.7 65.0 35.2 39.7 76 77 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.921 110.8 48.1 -60.9 -44.6 63.3 32.7 37.4 77 78 A L H X>S+ 0 0 18 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.924 111.1 49.7 -61.9 -48.0 64.8 34.5 34.4 78 79 A K H <5S+ 0 0 137 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.861 114.1 46.6 -60.5 -37.3 68.3 34.5 35.9 79 80 A D H <5S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.977 120.5 35.1 -69.0 -55.3 68.1 30.8 36.6 80 81 A T H <5S- 0 0 39 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.805 98.7-130.9 -69.9 -34.0 66.8 29.6 33.3 81 82 A G T <5 + 0 0 53 -4,-3.0 -3,-0.2 -5,-0.3 -4,-0.1 0.539 50.1 157.7 90.2 8.5 68.6 32.1 31.2 82 83 A L < - 0 0 14 -5,-0.5 -1,-0.3 -6,-0.3 -34,-0.2 -0.407 31.6-140.2 -68.6 144.3 65.5 33.1 29.3 83 84 A K E -c 48 0A 106 -36,-1.9 -34,-2.6 -2,-0.1 3,-0.1 -0.522 6.7-141.4-100.2 164.1 65.3 36.4 27.6 84 85 A V E + 0 0 6 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.714 29.3 166.2-125.5 77.5 62.4 38.9 27.4 85 86 A P E + 0 0 2 0, 0.0 45,-2.5 0, 0.0 46,-1.7 0.718 63.8 28.5 -66.8 -21.4 62.8 40.2 23.8 86 87 A M E -cd 50 131A 2 -37,-0.5 -35,-0.6 43,-0.2 2,-0.3 -0.999 56.6-177.4-148.5 144.2 59.3 41.9 23.7 87 88 A V E -cd 51 132A 0 44,-1.7 46,-1.7 -2,-0.3 2,-0.3 -0.951 9.3-174.1-134.7 152.1 56.7 43.4 26.1 88 89 A T E -cd 52 133A 2 -37,-1.8 -35,-1.4 -2,-0.3 2,-0.3 -0.968 22.4-115.8-146.7 158.5 53.3 44.8 25.4 89 90 A T - 0 0 10 44,-0.7 2,-0.9 -2,-0.3 46,-0.3 -0.691 21.6-128.1 -96.2 148.9 50.4 46.6 27.2 90 91 A N + 0 0 11 -2,-0.3 4,-0.2 1,-0.1 44,-0.0 -0.856 40.0 157.4 -98.9 101.9 47.0 45.2 27.9 91 92 A L + 0 0 20 -2,-0.9 47,-0.4 44,-0.3 10,-0.1 -0.307 64.6 52.3-116.8 47.3 44.5 47.9 26.6 92 93 A F S S+ 0 0 30 45,-0.1 8,-0.1 8,-0.1 -1,-0.1 0.547 87.8 64.3-149.5 -30.8 41.5 45.6 26.1 93 94 A S S S+ 0 0 79 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.887 81.4 80.4 -73.8 -45.1 40.5 43.4 29.0 94 95 A H S > S- 0 0 67 -4,-0.2 3,-2.5 1,-0.1 4,-0.0 -0.473 84.6-124.1 -66.9 137.5 39.5 46.0 31.6 95 96 A P G > S+ 0 0 92 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.701 107.4 71.8 -54.3 -21.5 35.9 47.4 31.1 96 97 A V G 3 S+ 0 0 42 1,-0.3 3,-0.4 2,-0.1 -3,-0.0 0.788 95.1 54.7 -65.7 -25.1 37.3 50.9 31.0 97 98 A F G X + 0 0 0 -3,-2.5 3,-2.7 1,-0.2 -1,-0.3 0.215 69.7 118.1 -93.1 15.0 38.7 50.0 27.6 98 99 A K T < S+ 0 0 164 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.749 86.4 35.2 -54.2 -26.9 35.3 48.9 26.2 99 100 A D T 3 S- 0 0 38 1,-0.5 -1,-0.3 -3,-0.4 6,-0.2 0.024 129.1 -90.0-114.9 24.7 35.6 51.6 23.5 100 101 A G < - 0 0 0 -3,-2.7 -1,-0.5 4,-0.1 39,-0.1 -0.270 27.9-108.8 94.5 173.9 39.3 51.4 23.1 101 102 A G S > S+ 0 0 0 -10,-0.1 3,-0.9 -3,-0.1 12,-0.3 0.767 105.4 25.9-106.0 -73.1 42.3 53.0 24.7 102 103 A F T 3 S+ 0 0 15 1,-0.2 57,-0.1 11,-0.1 56,-0.1 0.785 134.7 34.8 -64.2 -33.4 44.1 55.5 22.4 103 104 A T T 3 S+ 0 0 4 53,-0.1 -1,-0.2 6,-0.1 2,-0.1 0.121 81.0 138.4-111.1 19.8 40.9 56.1 20.3 104 105 A S < - 0 0 2 -3,-0.9 6,-0.2 1,-0.1 -4,-0.1 -0.429 58.3-131.2 -63.9 138.3 38.3 55.9 23.0 105 106 A N S S+ 0 0 98 -6,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.830 91.5 84.1 -60.5 -29.0 35.7 58.7 22.6 106 107 A D S > S- 0 0 75 1,-0.1 4,-1.5 -7,-0.1 3,-0.3 -0.647 72.0-154.0 -79.2 119.5 36.2 59.5 26.3 107 108 A R H > S+ 0 0 151 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.835 90.4 54.7 -63.7 -39.2 39.2 61.7 26.8 108 109 A S H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.849 107.8 51.8 -65.8 -31.2 40.1 60.7 30.3 109 110 A I H > S+ 0 0 29 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.881 107.2 52.7 -71.1 -37.6 40.2 57.1 29.2 110 111 A R H X S+ 0 0 53 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.931 110.4 47.7 -62.7 -44.9 42.6 58.1 26.4 111 112 A R H X S+ 0 0 151 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.899 113.0 48.4 -62.6 -41.7 44.9 59.8 28.9 112 113 A F H X S+ 0 0 87 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 110.7 50.5 -65.0 -44.1 44.8 56.8 31.2 113 114 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 -12,-0.3 -2,-0.2 0.883 112.6 46.9 -61.9 -40.4 45.5 54.4 28.4 114 115 A L H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 111.7 49.8 -69.3 -42.1 48.5 56.4 27.3 115 116 A A H X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.886 108.5 53.9 -62.9 -39.8 49.9 56.8 30.8 116 117 A K H X S+ 0 0 26 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.887 111.1 46.7 -61.0 -39.0 49.5 53.0 31.3 117 118 A V H X S+ 0 0 2 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.928 108.4 53.6 -70.0 -45.8 51.6 52.6 28.1 118 119 A L H X S+ 0 0 40 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.879 111.2 47.2 -57.5 -39.8 54.3 55.1 29.1 119 120 A H H >X S+ 0 0 133 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.906 108.9 53.9 -69.0 -39.8 54.7 53.2 32.4 120 121 A N H 3X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.799 100.8 61.5 -65.5 -28.0 54.9 49.9 30.6 121 122 A I H 3X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.862 102.3 51.3 -66.4 -34.0 57.7 51.3 28.4 122 123 A D H S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.9 0.903 108.8 53.0 -56.1 -43.0 60.1 46.9 29.1 125 126 A A H ><5S+ 0 0 32 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.909 111.2 45.5 -59.6 -42.7 63.3 48.9 29.3 126 127 A E H 3<5S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 110.0 54.6 -70.1 -32.1 64.1 47.2 32.7 127 128 A M H 3<5S- 0 0 24 -4,-2.4 -43,-0.4 -5,-0.2 -1,-0.2 0.641 114.2-121.2 -74.5 -14.5 63.2 43.8 31.2 128 129 A G T <<5 + 0 0 50 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.670 51.5 168.6 81.6 18.0 65.7 44.5 28.5 129 130 A A < - 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