==== 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)05-JUL-89 4XIA . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR K.HENRICK,C.A.COLLYER,D.M.BLOW . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 8.5 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 . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 5 5 0 0 2 2 3 1 2 2 0 0 0 0 2 0 1 1 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 8 3 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 2 0 0 0 1 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 95 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 123.1 35.5 65.0 34.9 2 3 A Q - 0 0 75 313,-0.1 2,-0.1 309,-0.0 43,-0.1 -0.984 360.0-132.8-135.8 120.7 33.5 68.2 35.4 3 4 A P - 0 0 27 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.465 22.7-170.4 -72.7 141.6 33.6 71.1 33.0 4 5 A T > - 0 0 68 -2,-0.1 3,-2.5 1,-0.0 4,-0.4 -0.914 41.6-101.3-123.6 161.7 34.1 74.5 34.4 5 6 A P G > S+ 0 0 75 0, 0.0 3,-0.8 0, 0.0 42,-0.1 0.724 118.9 71.7 -58.0 -17.5 33.8 77.8 32.5 6 7 A A G 3 S+ 0 0 81 1,-0.2 41,-0.0 2,-0.1 0, 0.0 0.687 85.3 66.6 -67.9 -22.9 37.6 77.8 32.3 7 8 A D G < S- 0 0 38 -3,-2.5 -1,-0.2 38,-0.2 281,-0.1 0.777 100.3-137.9 -75.0 -29.1 37.4 75.0 29.8 8 9 A H < + 0 0 62 -3,-0.8 280,-2.5 -4,-0.4 2,-0.4 0.823 35.7 170.0 68.5 39.7 35.7 77.3 27.2 9 10 A F E -a 288 0A 2 36,-0.3 38,-3.1 -5,-0.3 39,-1.4 -0.667 9.4-175.6 -82.5 123.3 33.0 74.9 26.0 10 11 A T E -ab 289 48A 0 278,-1.9 280,-1.8 -2,-0.4 2,-0.3 -0.857 7.3-165.1-121.3 153.8 30.5 76.9 23.9 11 12 A F E -ab 290 49A 0 37,-1.1 39,-1.7 -2,-0.3 2,-0.3 -0.996 19.8-122.2-138.5 146.5 27.3 75.6 22.3 12 13 A G E >> - b 0 50A 0 278,-1.0 3,-1.3 -2,-0.3 4,-0.9 -0.633 20.1-127.7 -88.4 155.9 25.0 77.0 19.5 13 14 A L H 3> S+ 0 0 9 37,-2.4 4,-1.9 -2,-0.3 38,-0.1 0.885 111.7 58.8 -64.0 -36.3 21.4 77.7 20.4 14 15 A W H 3> S+ 0 0 34 36,-0.2 4,-0.5 3,-0.2 -1,-0.3 0.654 97.7 61.9 -67.2 -17.9 20.5 75.6 17.2 15 16 A T H X4 S+ 0 0 0 -3,-1.3 3,-1.7 2,-0.2 -2,-0.2 0.967 117.7 23.2 -76.8 -68.5 22.4 72.5 18.6 16 17 A V H 3< S+ 0 0 0 -4,-0.9 -2,-0.2 1,-0.3 -3,-0.1 0.835 125.5 58.2 -65.2 -26.8 20.4 71.7 21.8 17 18 A G H 3< S+ 0 0 17 -4,-1.9 15,-0.4 -5,-0.3 2,-0.4 0.569 73.6 122.4 -75.4 -11.3 17.5 73.7 20.1 18 19 A W << - 0 0 58 -3,-1.7 -3,-0.1 -4,-0.5 -4,-0.0 -0.345 49.1-160.7 -59.7 118.1 17.5 71.3 17.0 19 20 A T - 0 0 29 -2,-0.4 9,-2.2 8,-0.1 10,-1.6 0.576 37.5-103.7 -82.9 -15.1 13.9 70.0 17.0 20 21 A G + 0 0 0 1,-0.3 2,-0.2 7,-0.3 276,-0.1 0.501 65.8 141.3 105.5 2.7 14.4 66.9 14.9 21 22 A A + 0 0 47 2,-0.1 -1,-0.3 3,-0.0 5,-0.2 -0.524 20.6 163.3 -80.7 142.9 13.1 67.5 11.4 22 23 A D B > -J 25 0B 70 3,-2.3 3,-1.0 -2,-0.2 5,-0.0 -0.759 58.3 -69.4-139.1-169.8 15.3 65.9 8.7 23 24 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.652 130.9 33.4 -61.2 -25.1 14.6 65.0 5.0 24 25 A F T 3 S+ 0 0 201 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.261 119.5 32.1-117.4 11.1 12.1 62.2 5.8 25 26 A G B < -J 22 0B 26 -3,-1.0 -3,-2.3 -5,-0.0 -1,-0.1 -0.996 69.1-109.7-163.9 162.4 10.3 63.4 9.0 26 27 A V - 0 0 116 -2,-0.3 -2,-0.1 -5,-0.2 0, 0.0 -0.346 57.3 -62.2 -90.2 172.7 9.0 66.2 11.2 27 28 A A - 0 0 43 1,-0.1 -7,-0.3 -2,-0.1 -1,-0.2 -0.236 35.7-166.3 -53.8 141.2 10.3 67.6 14.5 28 29 A T S S+ 0 0 46 -9,-2.2 2,-0.3 270,-0.1 -8,-0.2 0.315 71.4 55.2-109.4 -5.3 10.1 65.1 17.4 29 30 A R S S- 0 0 17 -10,-1.6 3,-0.1 270,-0.1 2,-0.1 -0.947 85.1-111.8-129.3 148.6 10.7 67.8 20.1 30 31 A A - 0 0 75 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.315 53.5 -81.7 -74.6 157.7 8.9 71.1 21.0 31 32 A N - 0 0 144 1,-0.1 2,-0.5 -2,-0.1 -1,-0.2 -0.273 44.5-120.7 -61.1 152.1 10.8 74.3 20.4 32 33 A L - 0 0 25 -15,-0.4 -1,-0.1 -3,-0.1 -15,-0.1 -0.817 17.9-127.2 -95.8 128.8 13.3 75.3 23.0 33 34 A D > - 0 0 87 -2,-0.5 4,-1.9 1,-0.1 3,-0.3 -0.619 16.9-136.1 -71.6 133.3 12.9 78.7 24.8 34 35 A P H > S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.809 103.2 56.5 -58.3 -34.7 16.2 80.6 24.4 35 36 A V H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.904 108.6 47.9 -64.7 -44.3 16.1 81.8 28.1 36 37 A E H > S+ 0 0 81 -3,-0.3 4,-3.5 2,-0.2 5,-0.2 0.919 108.3 53.8 -62.1 -45.1 15.9 78.1 29.2 37 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.923 109.5 49.2 -53.5 -52.0 18.8 77.1 26.9 38 39 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.877 114.8 42.8 -56.2 -47.7 21.0 79.7 28.5 39 40 A H H X S+ 0 0 70 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.965 115.6 49.6 -67.8 -50.7 20.1 78.7 32.1 40 41 A K H X S+ 0 0 57 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.906 112.2 46.1 -54.2 -49.0 20.4 75.0 31.3 41 42 A L H X>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 4,-0.8 0.849 110.7 53.3 -64.6 -39.5 23.8 75.3 29.6 42 43 A A H ><5S+ 0 0 28 -4,-1.7 3,-1.2 -5,-0.3 -2,-0.2 0.966 106.9 53.2 -64.8 -42.5 25.1 77.5 32.4 43 44 A E H 3<5S+ 0 0 146 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.854 107.9 51.2 -63.3 -31.5 24.0 74.8 34.9 44 45 A L H 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.591 126.0 -98.1 -79.7 -13.4 26.0 72.1 32.9 45 46 A G T <<5 + 0 0 11 -3,-1.2 -36,-0.3 -4,-0.8 -38,-0.2 0.561 65.0 159.0 108.9 12.8 29.2 74.2 32.9 46 47 A A < - 0 0 2 -5,-2.7 -1,-0.2 1,-0.1 -36,-0.2 -0.210 31.3-156.2 -60.9 159.8 29.2 75.9 29.5 47 48 A Y - 0 0 53 -38,-3.1 36,-1.8 1,-0.3 2,-0.3 0.741 69.2 -1.6-102.5 -38.6 31.2 79.1 29.1 48 49 A G E -bc 10 83A 0 -39,-1.4 -37,-1.1 34,-0.2 -1,-0.3 -0.949 53.2-136.0-154.1 170.9 29.2 80.5 26.3 49 50 A I E -b 11 0A 0 34,-2.4 37,-0.5 -2,-0.3 2,-0.3 -0.871 16.1-165.9-127.4 152.5 26.4 80.4 23.8 50 51 A T E -bc 12 86A 0 -39,-1.7 -37,-2.4 -2,-0.3 2,-0.3 -0.920 10.2-178.3-135.6 160.2 26.4 81.2 20.0 51 52 A F E - c 0 87A 0 35,-0.7 37,-2.0 -2,-0.3 2,-0.4 -0.977 30.7-118.3-155.5 165.5 23.5 81.8 17.6 52 53 A H E >> - c 0 88A 15 -2,-0.3 3,-2.8 35,-0.2 4,-1.0 -0.853 44.4-110.4 -94.2 142.5 22.4 82.5 14.1 53 54 A D H >> S+ 0 0 16 35,-1.9 4,-2.8 -2,-0.4 3,-0.8 0.861 120.0 45.5 -40.9 -50.6 20.4 85.9 13.8 54 55 A N H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.492 95.8 73.0 -77.6 -1.1 17.2 83.9 13.0 55 56 A D H <4 S+ 0 0 52 -3,-2.8 -1,-0.2 3,-0.1 -2,-0.2 0.903 119.7 18.0 -72.2 -41.6 17.8 81.3 15.8 56 57 A L H << S+ 0 0 9 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.884 129.4 44.7 -91.5 -58.4 16.8 84.1 18.1 57 58 A I S < S- 0 0 13 -4,-2.8 -1,-0.2 -5,-0.2 9,-0.0 -0.852 86.7-125.2-101.7 113.2 15.0 86.8 16.1 58 59 A P > - 0 0 63 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 -0.054 22.3-115.7 -52.1 152.6 12.4 85.4 13.7 59 60 A F T 3 S+ 0 0 90 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.892 116.5 39.1 -57.7 -44.8 12.9 86.5 10.0 60 61 A D T 3 S+ 0 0 135 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.091 85.4 144.2 -92.6 17.5 9.6 88.4 10.0 61 62 A A < - 0 0 25 -3,-1.6 -4,-0.0 1,-0.1 2,-0.0 -0.322 46.0-131.3 -59.9 131.6 9.9 89.8 13.6 62 63 A T > - 0 0 77 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.328 30.7-102.0 -75.5 170.8 8.5 93.4 14.1 63 64 A A H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.860 123.9 51.7 -57.7 -44.8 10.8 95.9 15.9 64 65 A A H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 110.0 50.6 -63.2 -51.2 8.9 95.5 19.2 65 66 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.958 109.7 49.9 -54.8 -49.0 9.3 91.7 18.9 66 67 A R H X S+ 0 0 82 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.889 110.2 49.5 -56.8 -46.0 13.1 92.0 18.4 67 68 A E H X S+ 0 0 127 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.875 111.8 49.3 -60.6 -42.1 13.5 94.3 21.4 68 69 A K H X S+ 0 0 123 -4,-2.0 4,-3.1 -3,-0.3 5,-0.2 0.983 112.3 46.5 -59.1 -58.2 11.6 91.9 23.6 69 70 A I H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.895 114.0 48.5 -54.0 -49.2 13.5 88.9 22.6 70 71 A L H X S+ 0 0 7 -4,-2.4 4,-3.1 -5,-0.3 -1,-0.2 0.886 111.1 50.5 -62.7 -37.9 16.8 90.7 23.0 71 72 A G H X S+ 0 0 41 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 112.9 46.8 -65.3 -46.1 15.8 92.0 26.5 72 73 A D H X S+ 0 0 65 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.929 116.0 44.0 -61.5 -46.6 14.9 88.4 27.5 73 74 A F H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.937 114.0 48.7 -70.3 -44.0 18.1 87.0 26.1 74 75 A N H X S+ 0 0 67 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.838 110.1 53.0 -62.7 -33.1 20.4 89.7 27.6 75 76 A Q H X S+ 0 0 110 -4,-2.2 4,-3.4 -5,-0.2 -2,-0.2 0.964 109.7 49.0 -61.8 -52.4 18.6 89.3 31.0 76 77 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 6,-0.3 0.896 111.3 48.8 -53.9 -45.6 19.4 85.5 30.8 77 78 A L H X S+ 0 0 21 -4,-2.3 4,-2.4 2,-0.2 5,-0.4 0.926 112.7 48.5 -62.3 -45.7 23.0 86.2 29.9 78 79 A A H < S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.947 111.9 49.3 -63.3 -47.2 23.3 88.7 32.9 79 80 A D H < S+ 0 0 96 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 123.0 29.7 -59.3 -38.1 21.7 86.2 35.3 80 81 A T H < S- 0 0 40 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.660 96.5-124.3 -99.6 -21.4 24.0 83.3 34.3 81 82 A G < + 0 0 48 -4,-2.4 -3,-0.1 1,-0.3 -4,-0.1 0.452 51.8 156.6 88.5 4.4 27.3 84.9 33.3 82 83 A L - 0 0 15 -5,-0.4 -1,-0.3 -6,-0.3 -34,-0.2 -0.363 32.0-142.1 -67.8 145.3 27.4 83.2 29.8 83 84 A K E -c 48 0A 115 -36,-1.8 -34,-2.4 -2,-0.1 45,-0.1 -0.511 5.6-140.0 -94.8 165.2 29.5 84.9 27.1 84 85 A V E + 0 0 5 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.805 30.5 166.4-128.0 81.9 28.5 85.1 23.4 85 86 A P E + 0 0 6 0, 0.0 46,-2.3 0, 0.0 45,-1.4 0.721 62.8 30.4 -78.2 -21.9 31.9 84.5 21.7 86 87 A M E -cd 50 131A 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.994 56.3-177.6-143.9 144.0 30.5 83.9 18.2 87 88 A V E -cd 51 132A 0 44,-1.4 46,-1.6 -2,-0.3 2,-0.3 -0.982 11.6-178.0-137.5 140.0 27.5 85.1 16.2 88 89 A T E -cd 52 133A 5 -37,-2.0 -35,-1.9 -2,-0.3 2,-0.4 -0.795 21.8-118.1-137.1 169.7 26.6 83.9 12.6 89 90 A T - 0 0 10 44,-0.6 2,-0.9 -37,-0.3 46,-0.3 -0.947 18.6-124.8-115.9 143.9 23.9 84.7 10.0 90 91 A N + 0 0 13 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.834 40.9 155.9 -92.1 107.9 21.4 82.3 8.5 91 92 A L + 0 0 19 -2,-0.9 47,-0.4 44,-0.3 -1,-0.1 -0.256 66.6 55.4-117.5 36.6 21.8 82.5 4.7 92 93 A F S S+ 0 0 34 45,-0.1 8,-0.1 46,-0.1 -1,-0.1 0.642 87.6 60.8-141.9 -25.6 20.3 79.1 4.0 93 94 A S S S+ 0 0 74 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.873 80.8 80.8 -82.5 -40.3 16.7 78.5 5.4 94 95 A H S > S- 0 0 78 -4,-0.2 3,-2.0 1,-0.1 4,-0.1 -0.417 85.7-120.7 -63.3 141.5 14.5 81.0 3.8 95 96 A P G > S+ 0 0 96 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.837 108.9 71.2 -51.4 -31.9 13.4 80.1 0.2 96 97 A V G 3 S+ 0 0 40 1,-0.3 3,-0.4 2,-0.1 13,-0.1 0.816 94.0 55.8 -53.7 -33.8 15.0 83.4 -1.1 97 98 A F G X + 0 0 1 -3,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.218 69.1 119.7 -87.3 19.5 18.4 81.8 -0.4 98 99 A K T < S+ 0 0 167 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.691 86.5 32.1 -59.5 -24.8 17.7 78.7 -2.6 99 100 A D T 3 S- 0 0 34 1,-0.6 41,-0.4 -3,-0.4 -1,-0.3 0.127 130.6 -80.8-115.4 11.9 20.7 79.5 -4.9 100 101 A G < - 0 0 0 -3,-2.0 -1,-0.6 39,-0.1 39,-0.1 -0.583 27.7-112.4 116.8 175.0 22.9 81.1 -2.2 101 102 A G S > S+ 0 0 0 -2,-0.2 3,-1.1 -3,-0.1 12,-0.2 0.659 109.8 21.7-109.3 -85.0 23.2 84.4 -0.4 102 103 A F T 3 S+ 0 0 13 1,-0.2 57,-0.2 11,-0.1 -2,-0.1 0.709 137.5 34.6 -58.6 -31.6 26.5 85.9 -1.6 103 104 A T T 3 S+ 0 0 4 52,-0.1 -1,-0.2 -4,-0.1 37,-0.1 0.067 79.3 136.5-118.9 25.3 26.8 83.8 -4.8 104 105 A S < - 0 0 5 -3,-1.1 -4,-0.1 2,-0.1 6,-0.1 -0.431 60.9-129.0 -61.1 149.1 23.1 83.6 -5.7 105 106 A N S S+ 0 0 104 -6,-0.1 2,-0.5 4,-0.0 -1,-0.1 0.776 92.3 84.1 -74.3 -27.6 22.8 84.2 -9.5 106 107 A D S > S- 0 0 73 1,-0.1 4,-2.1 2,-0.0 -2,-0.1 -0.613 70.6-156.0 -80.1 124.3 20.1 86.8 -8.8 107 108 A R H > S+ 0 0 157 -2,-0.5 4,-1.7 2,-0.2 -1,-0.1 0.862 89.7 57.8 -70.7 -33.6 21.8 90.1 -7.9 108 109 A S H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.960 108.8 48.1 -66.1 -44.7 19.0 91.6 -5.8 109 110 A I H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.923 106.7 55.7 -59.8 -43.2 19.2 88.5 -3.6 110 111 A R H X S+ 0 0 53 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.914 109.3 48.3 -56.7 -40.7 23.1 88.9 -3.3 111 112 A R H X S+ 0 0 157 -4,-1.7 4,-2.7 -3,-0.3 -2,-0.2 0.950 111.3 48.6 -65.2 -48.0 22.4 92.6 -2.1 112 113 A F H X S+ 0 0 86 -4,-2.4 4,-3.6 1,-0.2 5,-0.2 0.940 111.1 52.0 -60.1 -44.5 19.8 91.5 0.5 113 114 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.910 112.6 42.9 -58.5 -47.5 22.2 88.7 1.7 114 115 A L H X S+ 0 0 32 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.886 114.0 51.2 -68.2 -39.4 25.1 91.1 2.2 115 116 A A H X S+ 0 0 38 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.940 109.1 52.3 -58.8 -48.9 22.7 93.8 3.8 116 117 A K H X S+ 0 0 23 -4,-3.6 4,-1.5 1,-0.2 -2,-0.2 0.867 111.8 46.4 -57.5 -37.5 21.5 90.9 6.2 117 118 A V H X S+ 0 0 1 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.920 109.5 53.1 -70.7 -47.5 25.2 90.2 7.1 118 119 A L H >X S+ 0 0 39 -4,-2.5 4,-1.2 2,-0.2 3,-0.6 0.929 109.7 47.9 -56.9 -47.5 26.1 93.9 7.7 119 120 A H H 3X S+ 0 0 136 -4,-2.4 4,-1.7 1,-0.2 3,-0.4 0.918 109.4 54.9 -59.3 -45.7 23.2 94.4 10.1 120 121 A N H 3X S+ 0 0 5 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.761 99.7 60.2 -61.2 -26.6 24.3 91.1 11.9 121 122 A I H S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.5 0.889 111.3 48.9 -54.1 -47.2 27.6 90.6 16.9 125 126 A A H ><5S+ 0 0 28 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.940 110.3 50.5 -62.3 -47.9 29.6 93.7 18.0 126 127 A E H 3<5S+ 0 0 123 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 107.2 54.3 -66.7 -28.4 26.9 94.7 20.6 127 128 A M T 3<5S- 0 0 26 -4,-2.3 -43,-0.4 -5,-0.2 -1,-0.2 0.521 114.2-116.1 -77.0 -8.8 26.9 91.1 22.1 128 129 A G T < 5 + 0 0 63 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.691 55.2 164.7 79.0 21.2 30.6 91.2 22.6 129 130 A A < - 0 0 5 -5,-2.1 -1,-0.2 1,-0.1 -43,-0.2 -0.413 29.3-161.6 -65.8 141.2 31.4 88.3 20.2 130 131 A E S S+ 0 0 75 -45,-1.4 45,-2.0 1,-0.1 2,-0.4 0.684 75.2 52.6 -90.4 -28.6 35.1 88.0 19.2 131 132 A T E -de 86 175A 0 -46,-2.3 -44,-1.4 43,-0.2 2,-0.5 -0.908 57.9-166.4-122.3 140.4 34.2 85.8 16.1 132 133 A F E -de 87 176A 0 43,-2.8 45,-2.8 -2,-0.4 2,-0.4 -0.970 21.6-154.4-121.2 112.2 31.8 86.2 13.2 133 134 A V E -de 88 177A 2 -46,-1.6 -44,-0.6 -2,-0.5 2,-0.5 -0.744 10.0-164.0 -96.3 139.9 31.3 82.9 11.3 134 135 A M E + e 0 178A 21 43,-3.0 45,-2.8 -2,-0.4 2,-0.6 -0.961 8.9 177.1-121.2 117.9 30.3 82.6 7.6 135 136 A W - 0 0 47 -2,-0.5 2,-1.8 -46,-0.3 -44,-0.3 -0.896 15.8-158.5-115.5 101.1 29.1 79.1 6.6 136 137 A G > + 0 0 24 -2,-0.6 3,-1.2 43,-0.3 54,-0.3 -0.461 26.9 160.8 -84.0 69.7 28.0 79.5 2.9 137 138 A G T 3 S+ 0 0 1 -2,-1.8 49,-0.6 1,-0.3 -1,-0.2 0.711 73.6 40.9 -57.7 -33.6 25.7 76.4 2.8 138 139 A R T 3 S+ 0 0 73 -47,-0.4 2,-1.0 -3,-0.2 -1,-0.3 0.370 86.6 109.8-101.0 2.6 23.7 77.4 -0.3 139 140 A E < + 0 0 3 -3,-1.2 51,-2.9 51,-0.1 2,-0.3 -0.692 69.1 43.4 -80.8 100.1 26.8 78.6 -2.2 140 141 A G E S-K 189 0C 0 -2,-1.0 2,-0.3 -41,-0.4 49,-0.2 -0.964 76.0 -97.6 163.6-149.3 27.3 75.9 -4.9 141 142 A S E -K 188 0C 7 47,-2.1 47,-1.8 -2,-0.3 3,-0.1 -0.984 8.8-145.3-164.7 160.9 25.4 73.8 -7.4 142 143 A E S S+ 0 0 81 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.607 95.3 43.1 -96.2 -31.5 23.8 70.5 -8.2 143 144 A Y S > S- 0 0 165 45,-0.1 3,-1.1 1,-0.1 4,-0.3 -0.931 79.9-128.0-122.9 142.1 24.8 70.7 -11.9 144 145 A D G > S+ 0 0 134 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.778 104.1 52.6 -66.8 -26.8 28.1 71.8 -13.5 145 146 A G G 3 S+ 0 0 79 1,-0.2 -1,-0.2 3,-0.1 -4,-0.0 0.436 84.4 87.6 -90.6 5.1 26.6 74.4 -15.9 146 147 A S G < S+ 0 0 49 -3,-1.1 2,-0.4 1,-0.1 -1,-0.2 0.718 89.4 46.1 -68.1 -26.3 24.6 76.4 -13.3 147 148 A K < - 0 0 18 -3,-0.5 2,-0.9 -4,-0.3 3,-0.1 -0.954 66.9-135.9-127.8 150.9 27.5 78.6 -12.5 148 149 A D > - 0 0 104 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 -0.897 33.4-159.0 -92.9 107.9 30.3 80.8 -13.9 149 150 A L H > S+ 0 0 95 -2,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.806 86.4 49.7 -69.3 -31.4 32.8 79.4 -11.4 150 151 A A H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 113.1 47.2 -72.7 -42.9 35.2 82.4 -11.7 151 152 A A H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.908 107.1 58.0 -66.4 -39.9 32.3 84.9 -11.2 152 153 A A H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.892 108.9 45.2 -57.0 -43.3 31.1 82.8 -8.2 153 154 A L H X S+ 0 0 74 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.850 112.4 51.2 -71.5 -36.0 34.5 83.3 -6.5 154 155 A D H X S+ 0 0 62 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 111.6 47.6 -62.9 -47.7 34.5 87.1 -7.4 155 156 A R H X S+ 0 0 76 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.905 112.4 49.2 -60.6 -42.0 31.0 87.4 -5.9 156 157 A M H X S+ 0 0 14 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.918 112.6 48.3 -62.2 -47.7 32.1 85.5 -2.7 157 158 A R H X S+ 0 0 83 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.927 107.9 54.3 -59.4 -45.7 35.1 87.8 -2.4 158 159 A E H X S+ 0 0 104 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.953 112.8 43.6 -55.3 -53.9 33.1 90.9 -2.9 159 160 A G H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 116.2 45.8 -59.7 -51.1 30.8 89.9 0.0 160 161 A V H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.900 115.3 46.0 -64.0 -42.5 33.6 88.8 2.4 161 162 A D H X S+ 0 0 16 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.856 111.4 52.8 -70.5 -36.1 35.8 91.9 1.7 162 163 A T H X S+ 0 0 62 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.937 110.9 47.0 -61.7 -46.7 32.8 94.2 2.1 163 164 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.868 115.7 45.8 -61.6 -42.5 31.9 92.7 5.5 164 165 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.811 110.8 51.4 -71.6 -36.5 35.6 92.9 6.6 165 166 A G H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.950 109.1 52.5 -66.7 -46.8 36.1 96.5 5.4 166 167 A Y H X S+ 0 0 60 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.957 107.3 51.7 -56.3 -51.7 32.9 97.4 7.4 167 168 A I H X>S+ 0 0 3 -4,-2.0 5,-1.2 1,-0.2 4,-0.6 0.901 113.1 44.9 -48.5 -51.4 34.4 95.8 10.6 168 169 A K H ><5S+ 0 0 82 -4,-1.9 3,-1.0 2,-0.2 -1,-0.2 0.937 113.6 49.8 -59.2 -50.0 37.6 97.8 10.2 169 170 A D H 3<5S+ 0 0 142 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.891 113.8 44.9 -58.1 -47.0 35.7 101.0 9.4 170 171 A K H 3<5S- 0 0 108 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.469 107.1-126.9 -76.3 -7.8 33.4 100.6 12.5 171 172 A G T <<5 + 0 0 64 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.569 49.9 163.3 68.3 13.7 36.4 99.7 14.7 172 173 A Y < - 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