==== 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 02-MAY-06 2GVE . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR A.K.KATZ,X.LI,H.L.CARRELL,B.L.HANSON,P.LANGAN,L.COATES, . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.0 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 . 0 0.0 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 . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.1 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 2 2 1 0 1 1 1 1 1 0 1 0 0 0 1 0 0 1 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 1 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 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 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.1 42.7 42.0 89.1 2 2 A N - 0 0 123 2,-0.0 2,-0.6 310,-0.0 306,-0.0 -0.686 360.0-136.1-103.9 159.3 42.1 39.1 86.8 3 3 A Y - 0 0 18 -2,-0.3 308,-0.1 2,-0.0 309,-0.1 -0.781 21.9-176.8-120.9 87.9 39.5 38.6 84.0 4 4 A Q - 0 0 146 -2,-0.6 2,-0.1 307,-0.1 43,-0.1 -0.716 21.2-138.6 -89.7 114.5 37.9 35.1 84.2 5 5 A P - 0 0 14 0, 0.0 303,-0.1 0, 0.0 43,-0.1 -0.428 20.9-166.9 -68.4 143.1 35.5 34.6 81.3 6 6 A T > - 0 0 57 -2,-0.1 3,-2.7 1,-0.1 5,-0.4 -0.893 38.1-103.8-127.7 159.7 32.2 32.9 82.1 7 7 A P G > S+ 0 0 61 0, 0.0 3,-1.8 0, 0.0 42,-0.1 0.811 119.1 66.4 -51.3 -31.3 29.4 31.4 79.9 8 8 A E G 3 S+ 0 0 154 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.760 86.2 70.0 -63.6 -23.4 27.4 34.5 80.7 9 9 A D G < S- 0 0 32 -3,-2.7 -1,-0.3 38,-0.2 275,-0.2 0.725 102.2-134.0 -66.7 -20.4 29.9 36.5 78.7 10 10 A R < + 0 0 64 -3,-1.8 274,-2.9 -4,-0.4 2,-0.6 0.839 40.7 168.5 69.5 36.5 28.6 34.8 75.6 11 11 A F E +a 284 0A 0 -5,-0.4 38,-3.8 36,-0.3 39,-1.1 -0.734 8.3 179.9 -85.5 118.3 32.0 34.0 74.1 12 12 A T E -ab 285 50A 0 272,-1.3 274,-0.8 -2,-0.6 2,-0.3 -0.856 11.5-162.2-120.0 155.8 31.8 31.7 71.2 13 13 A F E -ab 286 51A 0 37,-1.3 39,-1.7 -2,-0.3 2,-0.3 -0.964 20.1-118.8-135.9 148.5 34.4 30.1 68.9 14 14 A G E >> - b 0 52A 0 272,-0.9 3,-2.0 -2,-0.3 4,-0.8 -0.655 21.4-126.1 -89.1 142.4 34.3 28.4 65.5 15 15 A L H 3> S+ 0 0 13 37,-2.2 4,-0.5 -2,-0.3 19,-0.1 0.817 114.3 54.5 -52.6 -31.8 35.4 24.8 65.1 16 16 A W H 34 S+ 0 0 40 3,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.656 98.4 66.6 -77.8 -17.7 37.7 26.1 62.4 17 17 A T H X4 S+ 0 0 0 -3,-2.0 3,-1.7 2,-0.2 -2,-0.2 0.992 118.0 16.6 -66.6 -80.2 39.3 28.6 64.7 18 18 A V H 3< S+ 0 0 2 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.595 125.4 64.8 -69.2 -10.5 41.2 26.5 67.3 19 19 A G T 3< S+ 0 0 20 -4,-0.5 15,-0.4 -5,-0.4 -1,-0.3 0.480 70.5 126.8 -89.9 -4.7 40.8 23.6 64.8 20 20 A W < - 0 0 54 -3,-1.7 -3,-0.1 -4,-0.4 -4,-0.0 -0.339 48.6-157.6 -57.8 126.2 43.0 25.3 62.2 21 21 A Q - 0 0 47 -2,-0.1 10,-1.9 2,-0.1 9,-1.4 0.645 41.9-111.2 -79.8 -17.1 45.7 22.9 61.1 22 22 A G + 0 0 0 7,-0.2 2,-0.8 1,-0.2 -2,-0.1 0.737 56.9 160.9 93.1 27.7 48.0 25.7 59.9 23 23 A R + 0 0 152 6,-0.1 -1,-0.2 8,-0.0 5,-0.2 -0.737 14.0 177.9 -84.7 112.1 47.9 25.1 56.2 24 24 A D B > -F 27 0B 48 3,-0.8 3,-1.9 -2,-0.8 5,-0.0 -0.690 46.5 -99.4-110.2 164.2 49.0 28.4 54.4 25 25 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.654 125.9 33.2 -56.8 -15.0 49.5 29.1 50.7 26 26 A F T 3 S+ 0 0 199 2,-0.1 2,-0.3 1,-0.1 -3,-0.0 0.167 121.0 42.3-126.3 16.5 53.2 28.6 51.2 27 27 A G B < S-F 24 0B 16 -3,-1.9 -3,-0.8 0, 0.0 2,-0.1 -0.988 70.2-116.2-158.2 162.0 53.3 25.9 53.9 28 28 A D - 0 0 130 -2,-0.3 -4,-0.2 -5,-0.2 2,-0.2 -0.312 54.1 -63.8 -93.4 179.2 51.8 22.6 55.1 29 29 A A - 0 0 34 1,-0.1 -7,-0.2 -6,-0.1 -1,-0.1 -0.459 38.3-173.5 -67.7 129.7 49.9 21.8 58.3 30 30 A T + 0 0 62 -9,-1.4 2,-0.3 -2,-0.2 -8,-0.2 0.473 69.7 51.0-100.4 -6.8 51.9 22.2 61.5 31 31 A R S S- 0 0 17 -10,-1.9 2,-0.1 264,-0.1 3,-0.1 -0.975 84.0-114.0-133.9 147.6 49.2 20.7 63.7 32 32 A R - 0 0 136 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.431 47.8 -86.7 -76.4 152.8 47.2 17.5 63.7 33 33 A A - 0 0 57 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.230 40.2-132.3 -60.9 144.1 43.4 17.7 63.2 34 34 A L - 0 0 22 -15,-0.4 -1,-0.1 -19,-0.1 -13,-0.0 -0.881 16.2-122.0-102.5 132.2 41.3 18.2 66.3 35 35 A D >> - 0 0 56 -2,-0.5 4,-1.7 1,-0.1 3,-1.2 -0.608 22.9-126.4 -72.6 126.3 38.3 16.0 66.9 36 36 A P H 3> S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.786 110.1 58.6 -42.2 -38.2 35.2 18.4 67.2 37 37 A V H 3> S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.922 104.1 49.3 -61.6 -46.0 34.5 16.7 70.6 38 38 A E H <> S+ 0 0 70 -3,-1.2 4,-2.9 1,-0.2 5,-0.2 0.903 110.5 50.9 -59.9 -43.6 37.8 17.6 72.0 39 39 A S H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.902 107.6 52.9 -61.8 -41.8 37.4 21.2 70.9 40 40 A V H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.844 114.3 42.2 -62.2 -40.9 34.0 21.4 72.5 41 41 A R H X S+ 0 0 107 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.885 115.0 48.6 -70.3 -48.8 35.4 20.1 75.9 42 42 A R H X S+ 0 0 70 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.926 113.9 46.9 -59.5 -44.8 38.6 22.3 75.8 43 43 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 4,-0.6 0.864 110.6 52.8 -63.9 -38.1 36.6 25.4 75.0 44 44 A A H ><5S+ 0 0 29 -4,-1.2 3,-1.2 -5,-0.3 -1,-0.2 0.919 106.7 52.3 -64.4 -44.1 34.1 24.6 77.7 45 45 A E H 3<5S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 106.4 55.6 -62.8 -24.8 36.9 24.3 80.3 46 46 A L H 3<5S- 0 0 35 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.631 125.5 -99.9 -82.8 -16.0 38.1 27.7 79.2 47 47 A G T <<5 + 0 0 12 -3,-1.2 -36,-0.3 -4,-0.6 -38,-0.2 0.563 66.0 157.1 107.5 13.6 34.8 29.4 79.9 48 48 A A < - 0 0 5 -5,-2.4 -1,-0.2 -6,-0.1 -36,-0.2 -0.280 37.6-146.3 -67.7 158.6 33.4 29.6 76.4 49 49 A H - 0 0 35 -38,-3.8 36,-1.5 1,-0.3 2,-0.3 0.746 66.8 -39.5 -95.8 -29.7 29.6 29.8 75.9 50 50 A G E -bc 12 85A 0 -39,-1.1 -37,-1.3 34,-0.3 2,-0.3 -0.966 52.9-110.5-177.3-176.9 29.3 27.8 72.7 51 51 A V E -b 13 0A 0 34,-1.9 37,-0.2 -2,-0.3 -37,-0.2 -0.979 15.4-152.9-139.4 148.2 30.7 26.9 69.3 52 52 A T E -b 14 0A 0 -39,-1.7 -37,-2.2 -2,-0.3 2,-0.3 -0.652 18.6-175.0-112.4 169.6 29.8 27.6 65.7 53 53 A F E -g 89 0C 0 35,-0.7 37,-2.5 -2,-0.2 2,-0.3 -0.995 27.5-117.8-166.2 157.5 30.6 25.5 62.6 54 54 A H E >> -g 90 0C 15 -2,-0.3 3,-3.0 35,-0.2 4,-1.4 -0.734 40.5-113.2 -94.2 149.8 30.5 25.0 58.8 55 55 A D H 3> S+ 0 0 14 35,-1.4 4,-1.8 -2,-0.3 36,-0.1 0.839 121.5 50.2 -49.1 -35.8 28.6 21.9 57.5 56 56 A D H 34 S+ 0 0 37 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.450 101.9 62.4 -85.7 -2.3 32.0 20.6 56.3 57 57 A D H <4 S+ 0 0 45 -3,-3.0 -2,-0.2 3,-0.1 -1,-0.2 0.824 113.9 30.8 -88.6 -36.7 33.6 21.2 59.8 58 58 A L H < S+ 0 0 5 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.874 128.4 35.5 -87.5 -44.9 31.3 18.8 61.6 59 59 A I S < S- 0 0 13 -4,-1.8 -1,-0.3 -5,-0.3 4,-0.1 -0.943 89.5-122.3-118.8 110.1 30.6 16.2 58.9 60 60 A P > - 0 0 67 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.087 42.0 -89.3 -47.8 141.3 33.4 15.4 56.4 61 61 A F T 3 S+ 0 0 96 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.262 113.4 21.6 -56.3 138.2 32.6 16.1 52.8 62 62 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.477 86.1 160.8 80.3 5.8 31.0 13.1 51.0 63 63 A S < - 0 0 17 -3,-1.7 -1,-0.3 -4,-0.1 -4,-0.0 -0.342 39.2-120.1 -60.8 134.6 29.9 11.6 54.3 64 64 A S > - 0 0 47 1,-0.1 4,-3.3 -2,-0.1 5,-0.2 -0.311 26.9-103.9 -72.5 160.7 27.2 9.0 53.9 65 65 A D H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.803 125.2 51.9 -53.9 -30.1 23.8 9.4 55.6 66 66 A S H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.900 111.6 43.6 -74.4 -43.6 25.0 6.8 58.2 67 67 A E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 108.8 60.3 -66.9 -43.7 28.3 8.6 58.9 68 68 A R H X S+ 0 0 46 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.932 106.3 45.0 -47.4 -57.5 26.4 12.0 59.0 69 69 A E H X S+ 0 0 142 -4,-1.6 4,-3.3 1,-0.2 -1,-0.2 0.904 111.2 54.0 -56.5 -43.2 24.2 10.9 61.9 70 70 A E H X S+ 0 0 101 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.890 109.1 47.6 -58.9 -44.0 27.2 9.4 63.8 71 71 A H H X S+ 0 0 55 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.895 114.7 46.5 -66.2 -43.0 29.1 12.6 63.6 72 72 A V H X S+ 0 0 14 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.925 109.2 54.6 -66.6 -46.3 26.1 14.6 64.8 73 73 A K H X S+ 0 0 125 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.931 109.5 46.4 -53.3 -51.7 25.4 12.2 67.6 74 74 A R H X S+ 0 0 113 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.942 114.0 48.5 -58.0 -46.6 28.9 12.4 69.1 75 75 A F H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.911 109.6 53.1 -59.6 -45.0 28.8 16.2 68.8 76 76 A R H X S+ 0 0 107 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.886 107.2 51.0 -58.9 -44.0 25.4 16.4 70.4 77 77 A Q H X S+ 0 0 102 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.888 108.1 53.3 -63.1 -38.5 26.6 14.3 73.4 78 78 A A H X S+ 0 0 2 -4,-1.9 4,-0.7 1,-0.2 6,-0.3 0.935 108.7 48.1 -62.3 -45.4 29.6 16.7 73.9 79 79 A L H X>S+ 0 0 7 -4,-2.0 4,-3.2 1,-0.2 5,-0.6 0.876 114.0 47.8 -62.0 -38.4 27.3 19.7 74.0 80 80 A D H <5S+ 0 0 106 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.867 109.9 52.0 -69.2 -40.3 25.1 18.0 76.5 81 81 A D H <5S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.561 124.5 27.8 -73.0 -10.9 28.0 16.9 78.7 82 82 A T H <5S- 0 0 47 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.638 97.9-123.4-122.4 -27.5 29.3 20.5 78.8 83 83 A G T <5 + 0 0 47 -4,-3.2 -3,-0.2 1,-0.3 -4,-0.1 0.523 56.4 153.1 91.0 6.6 26.3 22.7 78.4 84 84 A M < - 0 0 11 -5,-0.6 -1,-0.3 -6,-0.3 -34,-0.3 -0.367 31.5-144.4 -69.8 150.4 27.7 24.5 75.4 85 85 A K B -c 50 0A 123 -36,-1.5 -34,-1.9 -2,-0.1 45,-0.1 -0.756 11.0-136.8-115.9 162.2 25.4 26.0 72.8 86 86 A V + 0 0 4 43,-0.4 -34,-0.1 -2,-0.3 46,-0.1 -0.794 30.9 164.2-119.5 81.5 25.4 26.4 69.0 87 87 A P + 0 0 2 0, 0.0 45,-2.1 0, 0.0 46,-1.9 0.740 64.2 28.3 -72.2 -26.6 24.2 30.0 68.3 88 88 A M E - h 0 133C 3 -37,-0.2 -35,-0.7 43,-0.2 2,-0.3 -0.994 57.5-178.8-142.2 146.6 25.5 30.1 64.7 89 89 A A E -gh 53 134C 0 44,-1.6 46,-1.5 -2,-0.3 2,-0.3 -0.970 7.2-177.5-139.1 152.0 26.1 27.8 61.8 90 90 A T E -gh 54 135C 4 -37,-2.5 -35,-1.4 -2,-0.3 2,-0.4 -0.892 23.6-112.0-143.8 170.7 27.4 28.4 58.2 91 91 A T - 0 0 10 44,-0.6 2,-1.1 -2,-0.3 46,-0.3 -0.869 20.0-128.7-111.2 143.5 28.1 26.5 55.0 92 92 A N + 0 0 13 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.782 42.9 152.8 -91.3 96.7 31.4 25.8 53.4 93 93 A L + 0 0 15 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.148 65.6 55.3-113.2 35.0 31.0 27.0 49.8 94 94 A F S S+ 0 0 35 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.613 89.7 62.0-135.6 -30.9 34.7 27.7 49.2 95 95 A T S S+ 0 0 84 3,-0.0 -2,-0.1 2,-0.0 -3,-0.0 0.987 82.7 79.3 -67.0 -64.0 36.9 24.7 49.9 96 96 A H S > S- 0 0 65 -4,-0.2 3,-2.7 1,-0.1 0, 0.0 -0.169 83.5-126.1 -49.9 132.2 35.8 22.1 47.4 97 97 A P G > S+ 0 0 92 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.793 105.8 75.2 -50.1 -30.1 37.2 22.7 43.9 98 98 A V G 3 S+ 0 0 51 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.780 93.7 53.2 -54.1 -28.0 33.6 22.7 42.6 99 99 A F G X S+ 0 0 0 -3,-2.7 3,-0.9 1,-0.2 -1,-0.3 -0.028 70.9 118.6 -98.0 29.3 33.3 26.1 44.1 100 100 A K T < S+ 0 0 150 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.750 85.3 35.7 -67.4 -24.2 36.3 27.5 42.3 101 101 A D T 3 S- 0 0 34 1,-0.5 41,-0.3 -3,-0.4 -1,-0.3 0.285 130.7 -81.8-110.0 7.7 34.2 30.1 40.5 102 102 A G < - 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0 0 100 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.080 22.6-134.2 -49.9 151.7 18.1 67.5 66.3 342 342 A T S S+ 0 0 147 1,-0.2 3,-0.1 -4,-0.1 2,-0.1 0.959 94.8 6.5 -75.0 -54.7 19.3 70.1 63.8 343 343 A A > + 0 0 34 1,-0.1 3,-2.2 2,-0.0 -1,-0.2 -0.481 69.3 150.4-130.6 62.0 16.0 71.6 62.8 344 344 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -3,-0.2 3,-0.1 0.782 73.9 68.5 -61.4 -26.2 13.3 70.1 65.1 345 345 A D T 3 S- 0 0 100 1,-0.3 4,-0.4 -3,-0.1 -1,-0.3 0.556 113.6-117.7 -67.9 -11.6 11.5 73.4 64.6 346 346 A G <> - 0 0 30 -3,-2.2 4,-1.5 1,-0.1 -1,-0.3 -0.355 27.4 -68.1 101.5 180.0 11.0 72.3 61.0 347 347 A L H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.948 126.7 49.7 -75.7 -53.6 12.0 73.5 57.5 348 348 A Q H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.905 112.2 50.7 -52.8 -44.4 9.9 76.7 57.3 349 349 A A H 4 S+ 0 0 39 -4,-0.4 4,-0.4 1,-0.2 3,-0.3 0.935 110.9 47.4 -58.8 -49.4 11.3 77.7 60.8 350 350 A L H >< S+ 0 0 69 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.826 110.6 53.4 -61.4 -34.3 14.9 77.1 59.8 351 351 A L H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 111.2 45.3 -70.6 -32.5 14.3 79.1 56.5 352 352 A D T 3< S+ 0 0 117 -4,-1.8 2,-0.9 -3,-0.3 -1,-0.2 0.382 87.5 108.9 -91.7 2.6 13.0 82.1 58.5 353 353 A D X - 0 0 54 -3,-0.6 3,-1.1 -4,-0.4 4,-0.3 -0.720 43.2-177.4 -85.7 105.6 15.8 81.9 61.1 354 354 A R G > >S+ 0 0 135 -2,-0.9 5,-4.6 1,-0.2 3,-0.9 0.738 81.2 67.0 -72.2 -22.6 18.1 84.8 60.5 355 355 A S G 3 5S+ 0 0 67 1,-0.2 -1,-0.2 3,-0.2 6,-0.2 0.584 96.5 56.9 -73.0 -11.7 20.4 83.5 63.3 356 356 A A G < 5S- 0 0 42 -3,-1.1 -1,-0.2 -6,-0.2 -2,-0.2 0.598 135.6 -18.7 -93.8 -15.9 21.2 80.6 61.1 357 357 A F T X 5S+ 0 0 175 -3,-0.9 3,-1.7 -4,-0.3 -3,-0.1 0.293 128.9 54.7-150.7 -67.8 22.5 82.6 58.1 358 358 A E T 3 5S+ 0 0 93 -5,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.882 129.3 19.5 -48.4 -47.8 21.6 86.3 57.8 359 359 A E T 3 + 0 0 97 -2,-0.6 4,-1.6 1,-0.2 3,-0.2 -0.665 25.7 171.5 -84.7 89.1 28.7 85.0 63.1 362 362 A V H > S+ 0 0 86 -2,-1.4 4,-2.9 1,-0.2 5,-0.2 0.805 73.2 64.3 -67.2 -32.1 30.8 82.3 61.4 363 363 A D H > S+ 0 0 130 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.910 108.4 38.5 -57.4 -48.0 34.0 84.0 62.5 364 364 A A H > S+ 0 0 45 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.820 115.2 54.1 -73.3 -33.2 33.2 83.4 66.2 365 365 A A H >< S+ 0 0 18 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.918 108.4 49.0 -66.7 -42.9 31.8 79.9 65.4 366 366 A A H 3< S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 103.5 61.2 -66.9 -28.8 35.0 78.9 63.6 367 367 A A H 3< S+ 0 0 82 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.2 0.656 78.9 107.1 -74.4 -15.6 37.2 80.1 66.4 368 368 A R S << S- 0 0 158 -3,-1.0 2,-0.2 -4,-0.5 -3,-0.0 -0.500 70.6-132.3 -68.1 124.7 35.6 77.7 68.9 369 369 A G - 0 0 57 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.515 2.2-146.2 -77.0 143.5 38.0 74.8 69.7 370 370 A M - 0 0 74 -2,-0.2 -1,-0.1 -36,-0.0 -2,-0.0 0.724 19.9-147.1 -80.9 -22.1 36.6 71.3 69.5 371 371 A A > + 0 0 49 1,-0.1 4,-1.2 3,-0.1 -38,-0.1 0.835 49.1 142.3 57.4 36.1 38.9 70.1 72.4 372 372 A F H > + 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.793 61.9 58.9 -76.2 -29.8 39.1 66.7 70.8 373 373 A E H > S+ 0 0 155 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 104.3 49.8 -67.6 -42.1 42.7 66.1 71.7 374 374 A R H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 112.2 48.6 -61.9 -43.1 42.0 66.5 75.4 375 375 A L H X S+ 0 0 25 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.898 111.0 50.1 -63.2 -41.3 39.2 64.0 75.2 376 376 A D H X S+ 0 0 49 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.873 109.0 50.8 -67.0 -38.0 41.3 61.5 73.2 377 377 A Q H X S+ 0 0 106 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.851 108.8 52.7 -67.4 -34.0 44.2 61.7 75.7 378 378 A L H X S+ 0 0 8 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.822 110.7 47.6 -67.5 -32.3 41.6 61.0 78.5 379 379 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.846 112.6 49.1 -75.2 -36.3 40.5 58.0 76.5 380 380 A M H X S+ 0 0 47 -4,-2.3 4,-2.4 2,-0.2 6,-0.2 0.907 108.5 52.0 -68.6 -43.6 44.1 56.9 76.0 381 381 A D H <>S+ 0 0 29 -4,-2.7 5,-2.9 1,-0.2 -1,-0.2 0.825 111.1 49.0 -62.4 -33.7 44.9 57.3 79.7 382 382 A H H ><5S+ 0 0 18 -4,-1.1 3,-1.2 3,-0.2 -1,-0.2 0.898 109.5 50.8 -73.2 -42.1 41.9 55.1 80.5 383 383 A L H 3<5S+ 0 0 12 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.920 113.1 44.6 -60.7 -46.5 42.9 52.4 78.0 384 384 A L T 3<5S- 0 0 105 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.327 112.1-123.7 -80.3 7.0 46.4 52.1 79.4 385 385 A G T < 5S+ 0 0 49 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.795 73.6 129.6 54.0 31.1 44.9 52.2 82.9 386 386 A A < + 0 0 55 -5,-2.9 2,-1.1 -6,-0.2 -1,-0.2 -0.646 27.6 168.0-116.2 71.4 47.1 55.2 83.6 387 387 A R 0 0 90 -2,-0.5 -9,-0.0 1,-0.1 -5,-0.0 -0.719 360.0 360.0 -91.9 98.3 44.7 57.8 85.0 388 388 A G 0 0 119 -2,-1.1 -1,-0.1 0, 0.0 -2,-0.0 0.557 360.0 360.0-127.1 360.0 46.8 60.7 86.5