==== 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 09-AUG-07 2QW5 . COMPND 2 MOLECULE: XYLOSE ISOMERASE-LIKE TIM BARREL; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS ATCC 29413; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 652 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 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 . 1 0.2 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 . 45 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 0 0 2 1 1 0 2 0 1 1 0 2 2 0 2 2 0 0 0 0 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 3 2 8 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A A 0 0 160 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.2 -9.6 22.9 93.5 2 7 A T - 0 0 120 1,-0.1 318,-0.0 322,-0.0 322,-0.0 -0.501 360.0-111.2 -70.1 134.5 -6.0 22.5 92.5 3 8 A S - 0 0 37 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.140 28.7-102.3 -67.9 158.1 -3.7 25.0 94.2 4 9 A D - 0 0 74 266,-0.2 268,-2.5 36,-0.1 2,-0.5 -0.683 32.6-152.1 -79.5 135.4 -1.9 27.9 92.4 5 10 A I E -a 272 0A 0 33,-0.4 35,-2.1 -2,-0.3 36,-0.8 -0.962 13.9-174.1-114.4 124.0 1.8 27.3 91.8 6 11 A Y E -ab 273 41A 13 266,-1.8 268,-2.7 -2,-0.5 2,-0.3 -0.617 11.1-145.5-106.5 166.6 4.1 30.3 91.6 7 12 A I E -ab 274 42A 2 34,-1.5 36,-1.7 266,-0.2 2,-0.3 -0.998 18.0-118.3-134.4 140.9 7.8 30.5 90.7 8 13 A S E > - b 0 43A 1 266,-2.6 3,-1.2 -2,-0.3 268,-0.2 -0.559 11.6-135.4 -74.8 139.9 10.6 32.7 92.0 9 14 A F G >> S+ 0 0 0 34,-2.7 4,-2.7 1,-0.3 3,-2.2 0.474 90.5 95.0 -69.8 -3.8 12.4 35.2 89.7 10 15 A F G 34 + 0 0 15 1,-0.3 268,-2.1 2,-0.2 -1,-0.3 0.537 68.3 74.5 -60.2 -10.5 15.7 34.0 91.5 11 16 A X G <4 S+ 0 0 2 -3,-1.2 -1,-0.3 266,-0.2 -2,-0.2 0.729 119.1 11.4 -65.0 -26.1 15.8 31.6 88.5 12 17 A F T <4 S- 0 0 12 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.692 125.8 -13.9-121.8 -35.4 16.9 34.8 86.6 13 18 A T < - 0 0 20 -4,-2.7 -1,-0.3 267,-0.1 3,-0.1 -0.974 31.9-135.0-166.5 165.2 17.8 37.7 88.8 14 19 A T S S+ 0 0 52 -2,-0.3 2,-0.4 1,-0.2 -4,-0.1 0.282 95.9 59.3-110.2 0.9 17.8 39.6 92.2 15 20 A N - 0 0 65 -6,-0.1 -1,-0.2 31,-0.1 31,-0.1 -0.946 56.3-167.2-140.3 113.9 16.7 42.9 90.5 16 21 A L - 0 0 1 29,-0.6 11,-0.1 -2,-0.4 4,-0.1 0.613 25.4-150.0 -73.2 -14.6 13.5 43.5 88.5 17 22 A Q > - 0 0 68 1,-0.1 3,-1.9 2,-0.1 7,-0.2 0.914 16.8-174.4 42.3 59.6 14.9 46.9 87.1 18 23 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.766 78.9 52.3 -57.4 -27.8 11.3 48.3 86.8 19 24 A D T 3 S+ 0 0 101 4,-0.0 2,-0.9 1,-0.0 -2,-0.1 0.492 85.2 93.5 -80.3 -13.3 12.6 51.5 85.1 20 25 A N <> - 0 0 58 -3,-1.9 4,-1.9 1,-0.2 3,-0.1 -0.799 59.1-166.4 -89.8 106.8 14.7 49.6 82.4 21 26 A L H > S+ 0 0 93 -2,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.824 86.0 50.3 -67.1 -35.5 12.2 49.5 79.5 22 27 A D H > S+ 0 0 109 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.839 108.6 53.2 -70.6 -35.8 14.2 46.9 77.5 23 28 A Y H >> S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.873 98.2 64.6 -67.6 -37.0 14.5 44.6 80.6 24 29 A R H 3X S+ 0 0 34 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.837 98.1 56.4 -51.6 -38.2 10.6 44.7 81.1 25 30 A R H 3X S+ 0 0 132 -4,-0.8 4,-2.1 -3,-0.3 -1,-0.3 0.856 106.6 48.3 -61.9 -38.5 10.4 42.9 77.8 26 31 A I H X S+ 0 0 90 -4,-1.7 4,-0.7 2,-0.2 3,-0.5 0.933 113.9 48.2 -66.0 -46.2 6.9 31.0 78.8 34 39 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.4 1,-0.2 3,-1.1 0.885 103.9 60.2 -64.8 -39.8 6.5 30.0 82.4 35 40 A Q H ><5S+ 0 0 74 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.824 96.3 62.3 -54.7 -36.5 2.6 30.4 82.2 36 41 A R H <<5S+ 0 0 223 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.809 100.3 53.4 -62.0 -29.8 2.6 27.7 79.5 37 42 A F T <<5S- 0 0 45 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.555 131.3 -95.6 -78.2 -11.6 4.0 25.2 82.0 38 43 A G T < 5S+ 0 0 32 -3,-1.4 -33,-0.4 -4,-0.4 -3,-0.2 0.413 72.5 148.4 113.3 3.1 1.1 26.2 84.4 39 44 A Y < - 0 0 4 -5,-1.4 -1,-0.3 1,-0.1 -33,-0.2 -0.526 22.0-176.2 -71.4 133.2 2.6 28.8 86.7 40 45 A S + 0 0 35 -35,-2.1 37,-1.6 -2,-0.2 2,-0.3 0.389 63.6 20.1-110.0 -4.2 -0.1 31.4 87.8 41 46 A G E -bc 6 77A 0 -36,-0.8 -34,-1.5 35,-0.2 2,-0.3 -0.988 62.1-141.1-161.2 168.4 2.1 33.8 89.7 42 47 A F E -bc 7 78A 0 35,-2.3 37,-1.9 -2,-0.3 2,-0.6 -0.972 14.5-132.1-137.5 143.0 5.7 35.0 90.3 43 48 A E E -bc 8 79A 0 -36,-1.7 -34,-2.7 -2,-0.3 37,-0.2 -0.902 24.6-161.5 -97.3 123.6 7.9 36.0 93.3 44 49 A F E - c 0 80A 0 35,-2.9 37,-1.9 -2,-0.6 2,-0.2 -0.921 11.4-140.2-103.8 115.8 9.7 39.3 92.5 45 50 A P E - c 0 81A 5 0, 0.0 2,-0.7 0, 0.0 -29,-0.6 -0.598 14.6-141.5 -68.6 138.7 12.7 40.2 94.6 46 51 A I - 0 0 5 35,-2.7 37,-0.4 -2,-0.2 -31,-0.1 -0.919 15.7-141.4-105.0 104.3 12.7 43.9 95.4 47 52 A A - 0 0 17 -2,-0.7 -32,-0.1 1,-0.1 2,-0.0 -0.403 23.1-112.2 -62.8 138.3 16.3 45.1 95.3 48 53 A P + 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.330 42.7 168.1 -71.6 157.9 17.1 47.7 98.0 49 54 A G - 0 0 32 -2,-0.0 5,-0.0 0, 0.0 0, 0.0 -0.732 39.1 -52.2-146.8-162.1 17.9 51.3 97.1 50 55 A L > - 0 0 94 -2,-0.2 3,-1.8 1,-0.1 4,-0.0 -0.581 41.2-126.9 -88.5 143.0 18.4 54.8 98.6 51 56 A P G > S+ 0 0 61 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.817 107.5 65.2 -61.2 -28.6 15.7 56.3 100.9 52 57 A E G 3 S+ 0 0 143 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.666 99.0 57.0 -63.4 -17.2 15.5 59.5 98.8 53 58 A N G <> + 0 0 67 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.175 68.6 109.2-101.1 16.3 14.1 57.3 96.0 54 59 A Y H <> S+ 0 0 44 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.916 83.4 44.8 -56.5 -45.6 11.1 55.7 97.7 55 60 A A H > S+ 0 0 82 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 113.7 50.1 -66.7 -42.0 8.5 57.7 95.7 56 61 A Q H > S+ 0 0 90 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.891 109.5 51.9 -65.0 -38.0 10.4 57.0 92.4 57 62 A D H X S+ 0 0 26 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.928 108.3 50.9 -61.4 -44.4 10.5 53.2 93.2 58 63 A L H X S+ 0 0 54 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.918 111.5 48.1 -61.4 -42.0 6.7 53.2 93.9 59 64 A E H X S+ 0 0 106 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.914 111.7 49.7 -63.8 -44.9 6.1 54.9 90.5 60 65 A N H X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.935 113.4 43.9 -63.3 -47.6 8.5 52.5 88.7 61 66 A Y H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.840 111.5 54.9 -67.1 -32.4 6.9 49.3 90.1 62 67 A T H X S+ 0 0 37 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.945 109.8 48.0 -62.4 -44.5 3.4 50.7 89.5 63 68 A N H X S+ 0 0 64 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.824 108.6 53.5 -65.2 -33.2 4.5 51.2 85.9 64 69 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.945 108.9 48.9 -65.5 -48.6 5.8 47.6 85.8 65 70 A R H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.926 112.5 48.9 -54.4 -45.7 2.4 46.3 87.0 66 71 A H H X S+ 0 0 107 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.858 110.1 50.8 -65.0 -34.8 0.7 48.4 84.3 67 72 A Y H X S+ 0 0 41 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.883 109.3 50.0 -69.9 -41.2 3.1 47.1 81.6 68 73 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-0.4 0.937 112.3 49.3 -60.4 -42.5 2.4 43.5 82.6 69 74 A D H ><5S+ 0 0 46 -4,-2.4 3,-1.8 1,-0.2 5,-0.5 0.927 108.2 52.0 -63.2 -44.2 -1.4 44.3 82.4 70 75 A S H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.747 104.5 58.7 -65.5 -24.8 -1.0 45.9 79.0 71 76 A E T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.242 128.2 -95.3 -85.1 12.2 0.8 42.7 77.8 72 77 A G T < 5S+ 0 0 52 -3,-1.8 3,-0.3 1,-0.0 -3,-0.2 0.531 95.2 117.0 86.3 13.3 -2.3 40.5 78.7 73 78 A L > < + 0 0 3 -5,-2.2 3,-1.6 1,-0.2 -4,-0.2 0.027 24.4 125.7-106.3 32.1 -1.0 39.5 82.1 74 79 A E T 3 S+ 0 0 119 -5,-0.5 -1,-0.2 1,-0.3 -5,-0.1 0.831 75.6 49.3 -53.3 -42.5 -3.8 41.1 84.3 75 80 A N T 3 S+ 0 0 150 -3,-0.3 2,-0.3 -6,-0.1 -1,-0.3 0.524 84.0 110.0 -80.3 -9.9 -4.6 37.8 86.0 76 81 A V < - 0 0 3 -3,-1.6 2,-0.3 -8,-0.1 -35,-0.2 -0.559 60.2-146.5 -71.2 125.1 -0.9 37.1 86.9 77 82 A K E -c 41 0A 99 -37,-1.6 -35,-2.3 -2,-0.3 2,-0.4 -0.708 8.3-154.6 -93.3 149.1 -0.3 37.5 90.7 78 83 A I E -c 42 0A 5 37,-0.3 40,-0.4 -2,-0.3 41,-0.4 -0.965 9.7-173.0-125.7 133.6 3.0 38.7 92.2 79 84 A S E -c 43 0A 1 -37,-1.9 -35,-2.9 -2,-0.4 2,-0.3 -0.819 23.6-133.0-110.2 158.7 4.4 38.0 95.7 80 85 A T E -cd 44 120A 0 39,-2.1 41,-2.9 -2,-0.3 2,-0.5 -0.899 7.1-148.6-119.2 148.9 7.6 39.9 96.8 81 86 A N E +cd 45 121A 22 -37,-1.9 -35,-2.7 -2,-0.3 2,-0.4 -0.979 28.6 169.7-113.4 120.4 10.8 38.9 98.4 82 87 A V - 0 0 0 39,-2.6 2,-0.4 -2,-0.5 -35,-0.1 -0.996 12.6-165.2-137.4 136.9 12.2 41.7 100.7 83 88 A G - 0 0 18 -37,-0.4 41,-0.2 -2,-0.4 2,-0.1 -0.947 23.2-119.8-126.7 144.6 15.1 41.6 103.2 84 89 A A - 0 0 4 39,-2.4 44,-1.8 -2,-0.4 2,-0.3 -0.448 36.4-151.0 -68.2 153.6 16.3 43.9 105.9 85 90 A T - 0 0 35 3,-1.5 44,-0.1 42,-0.2 -1,-0.0 -0.757 31.4 -95.0-124.9 168.5 19.9 45.2 105.3 86 91 A R S S+ 0 0 184 -2,-0.3 3,-0.3 1,-0.2 -2,-0.0 0.878 129.2 36.0 -52.5 -41.7 22.7 46.2 107.5 87 92 A T S S+ 0 0 83 1,-0.2 2,-2.0 13,-0.0 -1,-0.2 0.959 116.8 52.4 -72.5 -55.9 21.6 49.9 107.2 88 93 A F S S+ 0 0 15 13,-0.1 -3,-1.5 -5,-0.1 -1,-0.2 -0.525 79.5 150.1 -87.5 73.7 17.8 49.1 107.2 89 94 A D > - 0 0 13 -2,-2.0 3,-1.4 -3,-0.3 12,-0.2 -0.906 32.9-172.5-116.0 105.6 17.9 47.1 110.4 90 95 A P T 3 S+ 0 0 0 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 0.586 86.9 61.7 -72.1 -10.8 14.8 47.0 112.6 91 96 A S T 3 S+ 0 0 0 34,-0.5 64,-0.2 65,-0.1 65,-0.2 0.233 78.0 128.1 -95.4 10.1 16.7 45.1 115.3 92 97 A S < - 0 0 6 -3,-1.4 6,-0.1 2,-0.1 9,-0.0 -0.237 65.3-132.7 -62.6 151.8 19.2 48.0 115.8 93 98 A N S S+ 0 0 90 4,-0.0 -1,-0.1 1,-0.0 -2,-0.0 0.611 87.4 86.5 -76.0 -12.0 19.8 49.3 119.3 94 99 A Y S >> S- 0 0 159 1,-0.1 4,-2.3 2,-0.0 3,-0.7 -0.812 71.7-147.5 -99.8 117.5 19.5 52.8 117.8 95 100 A P H 3> S+ 0 0 83 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.850 98.3 49.3 -46.7 -47.6 15.9 54.3 117.6 96 101 A E H 3> S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.812 109.9 52.3 -64.4 -33.7 16.6 56.4 114.4 97 102 A Q H <> S+ 0 0 52 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.948 110.9 47.4 -66.9 -46.9 18.1 53.4 112.7 98 103 A R H X S+ 0 0 51 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.872 112.5 49.3 -58.4 -41.9 14.9 51.3 113.6 99 104 A Q H X S+ 0 0 96 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.6 49.5 -67.4 -40.8 12.6 54.1 112.3 100 105 A E H X S+ 0 0 94 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.842 110.7 51.3 -65.0 -32.3 14.5 54.4 109.1 101 106 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 -12,-0.2 -2,-0.2 0.887 107.6 52.6 -69.0 -42.4 14.2 50.6 108.8 102 107 A L H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.901 109.1 49.3 -58.4 -43.4 10.4 50.8 109.3 103 108 A E H X S+ 0 0 95 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.875 110.7 50.8 -65.2 -38.4 10.2 53.4 106.5 104 109 A Y H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.946 112.9 44.9 -60.0 -50.2 12.2 51.2 104.3 105 110 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.890 111.8 52.7 -65.9 -36.3 9.9 48.2 105.1 106 111 A K H X S+ 0 0 48 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.872 107.8 52.7 -64.7 -38.9 6.7 50.4 104.6 107 112 A S H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.891 110.1 47.3 -58.9 -43.3 8.1 51.5 101.2 108 113 A R H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.894 108.5 53.6 -71.7 -37.0 8.4 47.8 100.3 109 114 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.929 109.9 50.3 -56.9 -47.5 4.9 47.1 101.6 110 115 A D H X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.899 110.0 49.0 -56.8 -44.5 3.7 50.0 99.2 111 116 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 6,-0.2 0.881 108.5 54.1 -61.8 -41.9 5.6 48.4 96.2 112 117 A T H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 3,-0.5 0.968 111.6 44.7 -56.6 -50.1 4.1 45.0 97.0 113 118 A A H ><5S+ 0 0 30 -4,-2.2 3,-2.6 1,-0.2 -2,-0.2 0.891 108.5 56.4 -61.8 -43.5 0.6 46.5 96.8 114 119 A A H 3<5S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.3 53.5 -61.2 -29.4 1.4 48.5 93.6 115 120 A L T 3<5S- 0 0 0 -4,-1.7 -37,-0.3 -3,-0.5 -1,-0.3 0.276 123.2-110.8 -82.1 8.0 2.3 45.2 92.1 116 121 A G T < 5 + 0 0 45 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.540 69.3 152.8 72.4 11.4 -1.2 43.9 93.1 117 122 A G < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 -38,-0.2 -0.400 38.2-174.7 -85.0 148.7 0.5 41.6 95.6 118 123 A E S S+ 0 0 114 -40,-0.4 55,-2.9 1,-0.1 2,-0.4 0.277 70.8 63.2-119.5 5.9 -0.9 40.4 98.9 119 124 A I E + e 0 173A 19 -41,-0.4 -39,-2.1 53,-0.2 2,-0.5 -0.984 50.6 178.5-137.7 121.6 2.2 38.6 100.2 120 125 A X E +de 80 174A 0 53,-2.5 55,-2.9 -2,-0.4 2,-0.3 -0.997 22.8 172.5-118.1 121.4 5.5 40.2 101.1 121 126 A X E +de 81 175A 0 -41,-2.9 -39,-2.6 -2,-0.5 55,-0.2 -0.835 14.5 77.2-128.4 160.8 8.0 37.7 102.5 122 127 A G E S- e 0 176A 0 53,-1.9 2,-1.7 -2,-0.3 55,-1.3 -0.821 83.2 -32.2 140.1-172.2 11.6 37.4 103.5 123 128 A P + 0 0 15 0, 0.0 -39,-2.4 0, 0.0 5,-0.4 -0.515 67.0 147.7 -81.1 73.5 14.3 38.0 106.2 124 129 A I + 0 0 0 -2,-1.7 -39,-0.1 -41,-0.2 -41,-0.1 0.212 61.4 52.7 -97.0 10.9 12.7 41.3 107.4 125 130 A V S S+ 0 0 1 1,-0.5 -34,-0.5 -41,-0.1 -1,-0.1 0.772 114.5 24.6-106.3 -69.0 13.8 41.0 111.2 126 131 A I S S- 0 0 2 60,-0.2 -1,-0.5 -36,-0.1 -42,-0.3 -0.878 101.9 -95.7-100.3 134.5 17.6 40.4 111.3 127 132 A P > - 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0 0 1 -2,-0.5 33,-0.1 31,-0.2 6,-0.1 -0.972 41.0-119.3-154.1 136.8 57.3 58.0 93.6 570 249 B P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 -32,-0.1 -0.408 35.4-103.3 -77.5 162.5 55.9 59.7 96.6 571 250 B P T 3 S+ 0 0 37 0, 0.0 5,-0.1 0, 0.0 8,-0.0 0.829 123.9 45.4 -50.1 -39.5 55.0 57.8 99.8 572 251 B D T 3 S- 0 0 88 3,-0.2 3,-0.1 1,-0.0 31,-0.0 0.371 109.4-125.0 -85.6 1.5 51.3 57.9 99.1 573 252 B R S < S+ 0 0 11 -3,-2.3 30,-2.5 1,-0.1 3,-0.1 0.466 83.6 84.6 67.8 11.4 51.9 56.9 95.4 574 253 B G S S+ 0 0 0 1,-0.3 2,-0.3 28,-0.2 -1,-0.1 0.520 81.1 19.8-107.7-117.2 50.0 60.0 94.1 575 254 B A - 0 0 15 1,-0.1 3,-0.4 3,-0.1 -1,-0.3 -0.418 52.8-168.2 -71.7 120.2 51.2 63.6 93.6 576 255 B L S S+ 0 0 0 -2,-0.3 3,-0.3 61,-0.2 5,-0.2 0.761 81.6 59.7 -78.3 -25.0 55.0 63.8 93.4 577 256 B H S S+ 0 0 73 1,-0.2 2,-0.3 60,-0.2 -1,-0.2 0.625 107.8 43.5 -83.0 -13.3 55.2 67.6 93.7 578 257 B T S S+ 0 0 105 -3,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.726 96.7 96.5-132.9 78.4 53.5 67.8 97.2 579 258 B S S S- 0 0 39 -3,-0.3 -3,-0.0 -2,-0.3 0, 0.0 -0.958 80.5-104.4-154.3 171.5 55.1 65.0 99.2 580 259 B W + 0 0 231 -2,-0.3 -4,-0.1 2,-0.1 -2,-0.0 0.060 60.0 144.5 -90.9 21.9 57.8 63.9 101.6 581 260 B L - 0 0 8 -5,-0.2 2,-1.7 1,-0.1 3,-0.2 -0.511 53.5-133.2 -58.8 123.4 60.0 62.3 98.9 582 261 B P > + 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.3 -0.594 31.8 179.9 -81.5 79.3 63.6 63.2 100.3 583 262 B W H > S+ 0 0 25 -2,-1.7 4,-2.7 1,-0.2 5,-0.4 0.869 71.5 44.0 -49.9 -50.3 64.8 64.3 96.9 584 263 B K H > S+ 0 0 157 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.952 117.2 42.4 -64.1 -55.2 68.4 65.3 97.9 585 264 B S H 4 S+ 0 0 57 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.727 120.2 43.9 -64.8 -26.1 69.2 62.3 100.0 586 265 B F H X S+ 0 0 3 -4,-2.2 4,-0.8 2,-0.1 -2,-0.2 0.915 121.4 35.0 -84.2 -51.3 67.6 59.8 97.6 587 266 B L H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.3 5,-0.3 0.795 101.1 74.7 -77.9 -30.0 69.0 61.2 94.3 588 267 B T H X S+ 0 0 38 -4,-2.4 4,-1.1 -5,-0.4 -1,-0.2 0.925 103.5 36.1 -54.8 -54.8 72.5 62.4 95.3 589 268 B P H > S+ 0 0 13 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.879 119.6 52.6 -65.6 -32.5 74.1 58.9 95.6 590 269 B I H >X S+ 0 0 0 -4,-0.8 4,-2.4 1,-0.2 3,-1.3 0.912 104.6 51.7 -67.8 -50.0 72.1 57.6 92.6 591 270 B V H 3< S+ 0 0 53 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.1 0.761 102.6 62.3 -61.6 -28.3 73.0 60.4 90.2 592 271 B K H 3< S+ 0 0 148 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.764 123.0 17.6 -62.8 -29.7 76.8 59.8 90.9 593 272 B V H << S+ 0 0 65 -3,-1.3 2,-0.4 -4,-0.6 -2,-0.2 0.565 113.9 70.3-120.8 -11.6 76.6 56.3 89.6 594 273 B Y < + 0 0 23 -4,-2.4 -1,-0.1 -5,-0.1 -30,-0.1 -0.935 34.1 164.2-122.8 129.5 73.4 55.9 87.4 595 274 B D + 0 0 161 -2,-0.4 -265,-0.2 -3,-0.1 -1,-0.1 0.112 46.3 107.3-129.7 24.7 72.7 57.4 84.0 596 275 B G S S- 0 0 24 1,-0.2 -31,-0.1 -267,-0.1 -2,-0.1 -0.172 82.5 -61.3 -83.6-174.3 69.7 55.4 82.9 597 276 B P - 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