==== 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)07-MAR-94 1XIB . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR H.L.CARRELL,J.P.GLUSKER . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 69.3 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 37.9 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 0 202 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.2 42.8 41.9 89.1 2 2 A N - 0 0 123 2,-0.0 2,-0.3 310,-0.0 0, 0.0 -0.764 360.0-149.5-121.0 167.0 41.8 39.1 86.9 3 3 A Y + 0 0 28 -2,-0.3 308,-0.2 2,-0.0 309,-0.1 -0.796 22.5 175.4-145.8 75.4 39.4 38.8 84.0 4 4 A Q - 0 0 148 -2,-0.3 2,-0.2 307,-0.1 43,-0.1 -0.787 23.0-135.9 -98.9 125.7 37.9 35.2 83.9 5 5 A P - 0 0 15 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.504 19.5-170.3 -77.8 150.8 35.2 34.6 81.3 6 6 A T > - 0 0 58 -2,-0.2 3,-3.2 1,-0.0 5,-0.4 -0.941 42.7 -98.2-129.1 165.6 32.1 32.6 82.1 7 7 A P G > S+ 0 0 63 0, 0.0 3,-1.8 0, 0.0 42,-0.1 0.777 119.3 69.8 -48.8 -28.4 29.3 31.3 79.8 8 8 A E G 3 S+ 0 0 153 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.736 85.5 67.3 -68.2 -21.1 27.3 34.4 80.7 9 9 A D G < S- 0 0 38 -3,-3.2 -1,-0.3 38,-0.2 275,-0.1 0.557 102.9-133.1 -73.6 -8.7 29.8 36.6 78.7 10 10 A R < + 0 0 66 -3,-1.8 274,-3.2 -4,-0.3 2,-0.4 0.778 40.5 168.7 65.3 35.5 28.5 34.8 75.5 11 11 A F E -a 284 0A 1 -5,-0.4 38,-3.0 36,-0.3 39,-1.3 -0.657 8.4-179.3 -81.5 128.7 32.0 34.1 74.0 12 12 A T E -ab 285 50A 0 272,-2.2 274,-2.6 -2,-0.4 2,-0.3 -0.883 12.4-161.1-131.1 158.5 31.8 31.6 71.0 13 13 A F E -ab 286 51A 0 37,-1.2 39,-1.7 -2,-0.3 2,-0.2 -0.996 21.8-118.9-138.1 141.8 34.4 30.1 68.7 14 14 A G E >> - b 0 52A 0 272,-1.3 3,-1.8 -2,-0.3 4,-0.8 -0.465 23.1-128.6 -74.7 146.7 34.2 28.4 65.3 15 15 A L H 3> S+ 0 0 12 37,-2.5 4,-1.1 1,-0.3 -1,-0.1 0.847 111.7 58.6 -54.7 -32.0 35.4 24.7 65.2 16 16 A W H 34 S+ 0 0 42 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.463 97.3 63.4 -77.9 -6.9 37.6 25.9 62.3 17 17 A T H X4 S+ 0 0 0 -3,-1.8 3,-2.2 2,-0.2 -2,-0.2 0.947 115.6 22.9 -86.4 -74.5 39.4 28.4 64.5 18 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.735 124.7 60.6 -59.0 -24.0 41.1 26.3 67.2 19 19 A G T 3< S+ 0 0 22 -4,-1.1 2,-0.3 -5,-0.4 15,-0.3 0.434 72.1 124.3 -80.4 0.3 40.9 23.5 64.7 20 20 A W < - 0 0 54 -3,-2.2 -3,-0.1 1,-0.2 -4,-0.0 -0.455 49.1-158.0 -68.4 123.8 43.0 25.3 62.0 21 21 A Q - 0 0 49 -2,-0.3 9,-1.9 9,-0.1 10,-1.8 0.513 40.4-109.7 -80.2 -6.8 45.9 22.9 61.2 22 22 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.3 270,-0.1 0.538 60.4 154.3 89.9 17.1 48.1 25.7 59.9 23 23 A R + 0 0 137 6,-0.1 -1,-0.3 8,-0.1 5,-0.2 -0.601 18.4 175.0 -71.1 128.5 48.2 25.0 56.2 24 24 A D B > -F 27 0B 65 3,-1.7 3,-1.3 -2,-0.4 5,-0.0 -0.705 51.1 -86.5-126.5 176.3 48.9 28.4 54.5 25 25 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.725 129.6 35.2 -60.7 -20.4 49.5 29.2 50.7 26 26 A F T 3 S+ 0 0 195 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.283 116.0 44.1-116.4 11.7 53.2 28.5 51.3 27 27 A G B < -F 24 0B 18 -3,-1.3 -3,-1.7 -5,-0.0 3,-0.1 -0.999 68.6-109.3-160.5 152.4 53.3 25.6 53.9 28 28 A D - 0 0 131 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.261 56.7 -73.0 -72.4 165.0 52.0 22.3 55.1 29 29 A A - 0 0 33 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.265 35.8-168.0 -56.9 140.5 50.0 21.7 58.3 30 30 A T S S+ 0 0 66 -9,-1.9 2,-0.3 1,-0.1 -8,-0.2 0.460 70.9 50.1-106.5 -5.5 52.0 22.1 61.6 31 31 A R S S- 0 0 15 -10,-1.8 -1,-0.1 264,-0.1 -8,-0.1 -0.975 83.4-114.6-133.5 149.2 49.2 20.6 63.8 32 32 A R - 0 0 131 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.342 47.2 -88.5 -73.8 162.6 47.1 17.4 63.7 33 33 A A - 0 0 56 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.336 40.4-133.9 -73.0 147.7 43.4 17.7 63.2 34 34 A L - 0 0 22 -15,-0.3 -1,-0.1 -3,-0.1 -13,-0.0 -0.878 15.5-119.6-101.0 140.8 41.3 18.1 66.3 35 35 A D >> - 0 0 56 -2,-0.4 4,-1.7 1,-0.1 3,-1.1 -0.660 22.9-128.0 -73.6 131.4 38.1 16.1 66.9 36 36 A P H 3> S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.763 109.5 60.5 -46.2 -35.3 35.2 18.5 67.3 37 37 A V H 3> S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 104.5 48.3 -63.4 -40.2 34.3 16.7 70.6 38 38 A E H <> S+ 0 0 66 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.892 110.0 50.7 -66.4 -41.7 37.7 17.6 72.0 39 39 A S H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.916 108.5 53.4 -65.6 -38.5 37.4 21.3 71.0 40 40 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.933 112.7 43.4 -57.3 -48.5 34.0 21.4 72.6 41 41 A Q H X S+ 0 0 83 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.909 115.3 48.4 -64.7 -44.0 35.4 20.1 75.9 42 42 A R H X S+ 0 0 63 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.908 113.2 46.7 -64.4 -42.0 38.5 22.3 75.8 43 43 A L H X>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 4,-0.6 0.881 109.1 54.6 -68.7 -37.5 36.6 25.5 75.0 44 44 A A H ><5S+ 0 0 29 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.928 106.5 53.5 -64.7 -39.7 34.0 24.7 77.8 45 45 A E H 3<5S+ 0 0 143 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.804 105.0 53.8 -60.4 -28.8 36.9 24.5 80.2 46 46 A L H 3<5S- 0 0 38 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.577 125.2 -98.8 -82.7 -8.6 38.2 27.9 79.2 47 47 A G T <<5 + 0 0 8 -3,-1.6 -36,-0.3 -4,-0.6 -38,-0.2 0.550 68.3 152.7 106.8 9.5 34.8 29.6 79.9 48 48 A A < - 0 0 3 -5,-2.2 -1,-0.3 1,-0.1 -36,-0.2 -0.387 39.7-145.9 -73.2 163.2 33.3 29.8 76.4 49 49 A H - 0 0 33 -38,-3.0 36,-2.0 1,-0.2 2,-0.3 0.745 67.0 -31.0 -94.8 -28.8 29.5 29.8 75.9 50 50 A G E -bc 12 85A 0 -39,-1.3 -37,-1.2 34,-0.3 2,-0.3 -0.977 51.4-115.8-177.2 178.2 29.3 27.9 72.6 51 51 A V E -b 13 0A 0 34,-2.3 37,-0.5 -2,-0.3 2,-0.3 -0.862 15.9-151.4-131.2 164.5 30.8 26.9 69.3 52 52 A T E -b 14 0A 0 -39,-1.7 -37,-2.5 -2,-0.3 2,-0.3 -0.845 15.7-167.0-133.1 168.7 29.8 27.4 65.6 53 53 A F E -g 89 0C 0 35,-0.7 37,-2.3 -2,-0.3 2,-0.4 -1.000 25.2-130.0-154.2 147.4 30.5 25.3 62.6 54 54 A H E >> -g 90 0C 15 -2,-0.3 3,-2.0 35,-0.2 4,-1.3 -0.799 44.2-110.6 -84.5 151.4 30.5 25.0 58.8 55 55 A D H >> S+ 0 0 13 35,-1.4 4,-2.6 -2,-0.4 3,-0.9 0.914 119.4 50.5 -41.2 -50.6 28.7 21.8 57.6 56 56 A D H 34 S+ 0 0 39 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.582 100.8 61.4 -78.1 -9.4 32.1 20.4 56.5 57 57 A D H <4 S+ 0 0 50 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.794 116.5 32.7 -77.0 -30.9 33.8 21.0 59.8 58 58 A L H << S+ 0 0 5 -4,-1.3 -2,-0.2 -3,-0.9 -3,-0.1 0.866 128.6 31.4 -93.1 -45.2 31.3 18.7 61.6 59 59 A I S < S- 0 0 12 -4,-2.6 -1,-0.3 -5,-0.2 3,-0.1 -0.965 91.3-117.9-120.8 114.7 30.6 16.1 58.9 60 60 A P > - 0 0 66 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.160 44.1 -91.2 -52.6 136.2 33.4 15.3 56.5 61 61 A F T 3 S+ 0 0 95 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.232 112.8 20.2 -51.9 135.0 32.5 16.1 52.9 62 62 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.334 84.4 156.0 83.0 -0.5 30.9 13.2 51.1 63 63 A S < - 0 0 19 -3,-2.1 -1,-0.2 1,-0.1 2,-0.1 -0.200 43.8-115.8 -51.4 140.6 29.9 11.3 54.3 64 64 A S > - 0 0 52 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.384 31.2 -99.7 -74.5 164.9 27.1 8.8 53.9 65 65 A D H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.810 124.7 53.3 -51.8 -31.9 23.8 9.4 55.8 66 66 A S H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 110.1 44.1 -75.9 -43.4 24.9 6.8 58.4 67 67 A E H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 110.8 57.9 -66.9 -39.1 28.3 8.5 59.1 68 68 A R H X S+ 0 0 47 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.945 106.1 47.7 -49.8 -53.6 26.4 11.9 59.2 69 69 A E H X S+ 0 0 146 -4,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.876 111.8 50.5 -64.5 -35.0 24.1 10.7 61.9 70 70 A E H X S+ 0 0 106 -4,-1.5 4,-2.2 2,-0.2 -1,-0.3 0.878 108.9 49.7 -65.9 -42.7 27.0 9.4 63.9 71 71 A H H X S+ 0 0 55 -4,-2.2 4,-1.7 -3,-0.2 -2,-0.2 0.891 114.0 47.8 -65.6 -39.3 29.1 12.6 63.7 72 72 A V H X S+ 0 0 12 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.954 109.7 51.9 -69.4 -47.8 26.0 14.5 64.8 73 73 A K H X S+ 0 0 131 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.920 110.8 46.6 -54.4 -48.9 25.3 12.2 67.7 74 74 A R H X S+ 0 0 102 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.895 113.5 49.5 -59.1 -37.5 28.8 12.4 69.1 75 75 A F H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.958 110.1 49.7 -67.1 -49.5 28.7 16.2 68.8 76 76 A R H X S+ 0 0 92 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.862 108.1 55.1 -58.3 -39.2 25.3 16.5 70.5 77 77 A Q H X S+ 0 0 102 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.918 107.1 49.3 -58.5 -44.0 26.7 14.3 73.4 78 78 A A H X S+ 0 0 2 -4,-2.0 4,-1.2 1,-0.2 6,-0.3 0.876 110.7 50.2 -67.9 -33.8 29.6 16.6 73.9 79 79 A L H X>S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 5,-0.7 0.913 112.1 48.0 -66.7 -38.7 27.3 19.7 74.0 80 80 A D H <5S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 110.9 51.8 -65.2 -36.8 25.0 17.9 76.6 81 81 A D H <5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.736 122.1 29.3 -70.5 -27.1 28.1 17.0 78.7 82 82 A T H <5S- 0 0 47 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.625 97.0-122.2-112.7 -14.7 29.4 20.6 78.8 83 83 A G T <5 + 0 0 46 -4,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.603 58.9 152.6 79.5 9.1 26.3 22.8 78.5 84 84 A M < - 0 0 7 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.515 30.7-149.9 -76.9 146.2 27.9 24.5 75.4 85 85 A K B -c 50 0A 116 -36,-2.0 -34,-2.3 -2,-0.2 45,-0.1 -0.631 11.6-137.6-109.8 171.9 25.4 26.0 72.9 86 86 A V + 0 0 6 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.836 28.6 166.8-130.4 93.0 25.5 26.4 69.1 87 87 A P + 0 0 6 0, 0.0 45,-1.7 0, 0.0 46,-1.4 0.636 63.4 26.8 -85.7 -15.3 24.2 29.9 68.3 88 88 A M E + h 0 133C 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.989 57.8 178.9-148.6 144.6 25.3 30.2 64.6 89 89 A A E -gh 53 134C 0 44,-1.6 46,-2.5 -2,-0.3 2,-0.3 -0.931 5.4-178.3-139.8 169.5 26.1 27.8 61.8 90 90 A T E -gh 54 135C 5 -37,-2.3 -35,-1.4 -2,-0.3 2,-0.4 -0.897 25.4-105.9-155.9 176.6 27.2 28.4 58.1 91 91 A T - 0 0 11 44,-0.6 2,-1.1 -2,-0.3 46,-0.3 -0.911 21.3-126.6-114.1 142.0 28.0 26.4 55.0 92 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.815 43.5 154.0 -84.4 103.9 31.4 25.7 53.4 93 93 A L + 0 0 16 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.235 65.7 57.2-114.3 41.7 30.9 26.9 49.8 94 94 A F S S+ 0 0 36 45,-0.1 8,-0.1 46,-0.1 -2,-0.1 0.618 88.5 60.1-140.3 -28.4 34.6 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 0.908 82.2 78.6 -79.8 -49.4 36.9 24.6 49.8 96 96 A H S > S- 0 0 67 -4,-0.2 3,-2.4 1,-0.1 4,-0.0 -0.391 84.8-121.7 -63.6 143.0 35.9 22.0 47.3 97 97 A P G > S+ 0 0 91 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.754 107.5 72.8 -55.5 -24.8 37.2 22.6 43.8 98 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -2,-0.0 0.797 95.2 54.5 -60.6 -28.0 33.6 22.6 42.4 99 99 A F G X S+ 0 0 0 -3,-2.4 3,-2.1 1,-0.2 -1,-0.3 0.197 70.5 117.7 -89.5 16.6 33.3 26.1 44.1 100 100 A K T < S+ 0 0 153 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.738 85.7 33.5 -62.4 -22.2 36.3 27.5 42.3 101 101 A D T 3 S- 0 0 34 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.220 130.6 -77.3-112.4 14.4 34.2 30.2 40.6 102 102 A G < - 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0 0 0 -35,-2.3 29,-0.2 -2,-0.3 26,-0.1 -0.803 28.5-169.5-122.1 83.9 28.1 39.5 60.3 216 216 A P - 0 0 0 0, 0.0 29,-2.9 0, 0.0 2,-0.4 -0.400 9.0-147.1 -74.4 152.9 31.0 42.0 60.0 217 217 A E B > -d 245 0A 0 -35,-0.3 4,-1.7 27,-0.2 5,-0.3 -0.976 13.3-133.3-124.0 138.1 34.5 40.8 60.9 218 218 A V H > S+ 0 0 9 27,-2.0 4,-1.6 -2,-0.4 -1,-0.1 0.902 105.0 45.9 -51.3 -55.9 37.1 43.2 62.4 219 219 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.824 107.3 59.1 -63.8 -31.9 40.0 42.1 60.0 220 220 A H H 4 S+ 0 0 4 -3,-0.2 3,-0.5 1,-0.2 4,-0.4 0.926 106.7 43.3 -67.6 -43.2 37.9 42.2 56.8 221 221 A E H ><>S+ 0 0 6 -4,-1.7 5,-2.2 1,-0.2 3,-1.4 0.886 112.3 55.1 -68.2 -34.1 36.9 45.9 57.0 222 222 A Q H ><5S+ 0 0 16 -4,-1.6 3,-1.7 -5,-0.3 -1,-0.2 0.738 93.2 69.7 -71.6 -17.6 40.5 46.7 58.0 223 223 A M T 3<5S+ 0 0 4 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.609 103.9 45.0 -67.1 -15.0 41.7 44.9 54.8 224 224 A A T < 5S- 0 0 44 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.201 121.6-112.0-105.3 9.8 40.0 47.9 53.0 225 225 A G T < 5 + 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.689 69.6 146.8 72.7 16.4 41.6 50.4 55.4 226 226 A L < - 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0 0 22 -4,-1.0 4,-2.4 -3,-0.9 3,-0.8 -0.546 63.6-148.9 -78.3 125.2 34.6 59.1 84.7 324 324 A P H 3> S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.810 99.8 57.1 -58.9 -31.8 33.0 62.5 85.6 325 325 A E H 3> S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 53,-0.1 0.867 107.7 47.0 -74.0 -28.9 36.0 64.2 84.0 326 326 A V H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.885 109.5 53.9 -71.0 -43.3 35.3 62.4 80.7 327 327 A Q H X S+ 0 0 78 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 110.3 47.8 -57.9 -39.1 31.6 63.4 81.0 328 328 A E H X S+ 0 0 118 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 110.7 50.4 -66.2 -41.1 32.7 67.0 81.3 329 329 A A H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.847 106.7 55.5 -67.0 -35.3 35.1 66.7 78.3 330 330 A L H <>S+ 0 0 31 -4,-2.6 5,-2.5 1,-0.2 6,-0.5 0.880 110.8 45.2 -65.0 -38.9 32.3 65.2 76.2 331 331 A R H ><5S+ 0 0 156 -4,-1.8 3,-1.5 -5,-0.2 -2,-0.2 0.910 108.7 55.7 -68.1 -35.5 30.2 68.2 77.0 332 332 A A H 3<5S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 110.2 46.8 -62.4 -29.7 33.2 70.5 76.3 333 333 A S T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 38,-0.1 -2,-0.2 0.332 116.2-117.5 -95.2 5.8 33.4 68.8 72.8 334 334 A R T <>5 + 0 0 55 -3,-1.5 4,-1.8 -4,-0.1 3,-0.3 0.726 65.1 144.7 67.1 25.5 29.7 69.2 72.2 335 335 A L H >4 S+ 0 0 110 -3,-0.3 3,-1.3 1,-0.2 -2,-0.2 0.821 101.7 61.1 -69.7 -31.7 24.8 68.9 70.9 338 338 A L H 3< S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 102.1 54.4 -60.9 -32.7 25.4 66.2 68.3 339 339 A A T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.532 93.1 86.3 -81.0 -3.6 22.6 64.2 69.8 340 340 A R S < S- 0 0 134 -3,-1.3 -3,-0.0 -4,-0.2 0, 0.0 -0.781 91.6 -97.3 -97.3 147.2 20.0 67.0 69.5 341 341 A P - 0 0 99 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.186 21.7-141.6 -55.4 141.4 18.0 67.6 66.3 342 342 A T S S+ 0 0 144 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.863 94.1 8.6 -71.8 -35.5 19.4 70.2 64.0 343 343 A A > + 0 0 33 1,-0.1 3,-1.8 2,-0.0 -1,-0.2 -0.411 63.2 149.2-149.6 65.9 15.9 71.5 63.1 344 344 A A T 3 S+ 0 0 89 -3,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.754 76.5 71.6 -69.6 -19.5 13.0 70.0 65.2 345 345 A D T 3 S- 0 0 97 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.534 109.9-123.5 -65.5 -19.2 11.4 73.5 64.5 346 346 A G <> - 0 0 31 -3,-1.8 4,-2.2 1,-0.1 -1,-0.2 -0.034 26.8 -65.3 94.7 169.3 11.0 72.3 60.9 347 347 A L H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 126.5 51.4 -60.9 -48.8 12.0 73.6 57.5 348 348 A Q H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 110.9 49.1 -61.3 -42.2 9.9 76.8 57.4 349 349 A A H > S+ 0 0 36 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.923 110.5 51.3 -60.5 -43.4 11.2 77.9 60.8 350 350 A L H >< S+ 0 0 72 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.907 109.8 49.6 -58.2 -43.8 14.8 77.2 59.7 351 351 A L H 3< S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.9 45.9 -64.5 -31.5 14.3 79.3 56.5 352 352 A D H 3< S+ 0 0 109 -4,-1.9 2,-1.0 -5,-0.2 -1,-0.2 0.592 87.5 104.3 -87.3 -10.2 12.9 82.2 58.6 353 353 A D X< - 0 0 55 -4,-1.0 3,-1.4 -3,-0.5 5,-0.2 -0.588 48.4-171.7 -78.6 106.3 15.6 82.0 61.2 354 354 A R G > >S+ 0 0 128 -2,-1.0 5,-4.0 1,-0.3 3,-1.3 0.727 82.9 65.8 -66.7 -21.5 18.0 84.9 60.6 355 355 A S G 3 5S+ 0 0 73 1,-0.3 -1,-0.3 3,-0.2 6,-0.1 0.640 95.1 59.0 -77.2 -15.0 20.4 83.5 63.3 356 356 A A G < 5S- 0 0 41 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.484 132.9 -17.8 -85.9 -8.3 21.1 80.5 61.1 357 357 A F T X 5S+ 0 0 175 -3,-1.3 3,-1.3 -4,-0.2 -3,-0.1 0.169 127.5 50.8-153.0 -73.4 22.4 82.6 58.2 358 358 A E T 3 5S+ 0 0 103 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.910 129.9 22.3 -56.9 -40.7 21.9 86.3 57.7 359 359 A E T 3 - 0 0 96 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 -0.804 24.4-179.6 -93.3 99.4 28.6 85.0 63.1 362 362 A V H > S+ 0 0 89 -2,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.797 76.2 55.2 -70.0 -39.4 30.8 82.5 61.2 363 363 A D H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.841 108.1 47.7 -62.8 -40.7 34.1 83.8 62.6 364 364 A A H 4 S+ 0 0 48 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.905 114.8 46.2 -66.9 -41.8 33.1 83.4 66.2 365 365 A A H >< S+ 0 0 21 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.939 111.7 52.4 -63.7 -42.2 31.8 79.8 65.5 366 366 A A H 3< S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.9 57.7 -61.5 -28.8 35.0 79.0 63.5 367 367 A A T 3< S+ 0 0 85 -4,-1.5 2,-0.5 -5,-0.1 -1,-0.3 0.631 80.3 105.1 -81.5 -10.4 37.2 80.1 66.4 368 368 A R S < S- 0 0 148 -3,-1.6 2,-0.1 -4,-0.5 -3,-0.0 -0.586 70.1-135.2 -73.7 121.5 35.7 77.7 68.9 369 369 A G - 0 0 59 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.366 1.1-142.3 -68.7 151.2 38.1 74.8 69.6 370 370 A M - 0 0 78 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.662 21.9-143.6 -86.2 -15.7 36.5 71.3 69.5 371 371 A A > + 0 0 50 1,-0.1 4,-1.7 3,-0.1 5,-0.1 0.755 51.3 141.9 57.1 31.6 38.8 70.1 72.4 372 372 A F H > + 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.799 60.8 58.0 -71.6 -30.1 39.1 66.7 70.8 373 373 A E H > S+ 0 0 154 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 105.8 48.5 -74.3 -35.0 42.7 66.0 71.7 374 374 A R H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.951 113.4 48.7 -65.1 -43.8 42.2 66.4 75.4 375 375 A L H X S+ 0 0 23 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.941 111.3 49.7 -56.0 -45.3 39.2 64.0 75.2 376 376 A D H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.857 108.3 52.7 -69.6 -29.5 41.3 61.5 73.2 377 377 A Q H X S+ 0 0 99 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.863 107.1 52.5 -72.5 -33.6 44.2 61.7 75.7 378 378 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.891 109.4 49.7 -59.2 -40.6 41.7 60.9 78.5 379 379 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.902 112.0 48.8 -62.8 -41.2 40.6 57.9 76.4 380 380 A M H X S+ 0 0 49 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.941 110.5 49.0 -60.4 -47.2 44.3 56.9 76.0 381 381 A D H X>S+ 0 0 35 -4,-2.9 5,-3.1 1,-0.2 4,-0.8 0.897 112.2 50.1 -61.9 -41.2 45.0 57.2 79.8 382 382 A H H ><5S+ 0 0 18 -4,-2.5 3,-1.0 3,-0.2 -1,-0.2 0.943 110.2 49.1 -64.1 -44.5 41.9 55.1 80.5 383 383 A L H 3<5S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.8 43.0 -58.9 -43.4 42.9 52.4 78.0 384 384 A L H 3<5S- 0 0 113 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.485 109.8-120.2 -83.7 -4.5 46.5 52.2 79.5 385 385 A G T <<5S+ 0 0 56 -3,-1.0 -3,-0.2 -4,-0.8 -4,-0.1 0.856 74.5 131.1 72.7 31.4 45.2 52.3 83.2 386 386 A A < + 0 0 54 -5,-3.1 2,-1.5 -6,-0.2 -4,-0.2 -0.039 27.3 165.9-111.1 31.2 47.3 55.5 83.5 387 387 A R 0 0 86 -6,-0.5 -9,-0.0 1,-0.2 -5,-0.0 -0.239 360.0 360.0 -51.2 93.7 44.7 57.7 85.1 388 388 A G 0 0 97 -2,-1.5 -1,-0.2 0, 0.0 -2,-0.0 0.481 360.0 360.0-126.1 360.0 46.4 60.8 86.5