==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-MAY-12 4F2D . COMPND 2 MOLECULE: L-ARABINOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.A.MANJASETTY,S.K.BURLEY,S.C.ALMO,M.R.CHANCE,NEW YORK SGX R . 1492 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1060 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 8.3 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 114 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.8 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 0 0 3 0 6 6 6 0 0 6 6 3 0 0 1 1 4 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 9 3 9 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 PARALLEL BRIDGES PER LADDER . 3 1 7 3 6 0 0 0 0 3 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 3 3 3 0 1 2 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 X 0 0 142 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.8 71.2 12.8 -11.2 2 2 A T > - 0 0 68 321,-0.0 3,-0.9 322,-0.0 4,-0.3 -0.660 360.0 -91.5-122.4-178.4 69.4 11.4 -8.1 3 3 A I G > S+ 0 0 45 1,-0.2 3,-1.4 -2,-0.2 4,-0.1 0.798 121.7 66.4 -64.5 -30.4 69.3 12.3 -4.4 4 4 A F G > S+ 0 0 8 1,-0.3 3,-1.1 2,-0.2 43,-0.3 0.729 90.7 62.3 -65.7 -24.1 72.1 9.8 -3.9 5 5 A D G < S+ 0 0 93 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.642 95.0 63.0 -74.0 -16.1 74.5 11.9 -5.9 6 6 A N G < S+ 0 0 93 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.392 104.6 56.7 -85.5 0.8 74.0 14.6 -3.2 7 7 A Y < - 0 0 20 -3,-1.1 40,-0.6 -4,-0.1 2,-0.3 -0.890 58.4-171.6-130.5 162.3 75.6 12.3 -0.6 8 8 A E E -ab 47 73A 29 64,-3.0 66,-2.8 -2,-0.3 67,-0.6 -0.973 18.4-133.9-145.1 158.6 78.8 10.4 0.1 9 9 A V E -ab 48 75A 0 38,-2.4 40,-2.5 -2,-0.3 2,-0.5 -0.960 25.3-127.0-115.9 135.0 80.0 7.8 2.6 10 10 A W E -ab 49 76A 5 65,-2.6 67,-2.9 -2,-0.4 2,-0.9 -0.684 9.9-150.6 -88.8 123.8 83.4 8.2 4.1 11 11 A F E -ab 50 77A 1 38,-2.5 40,-2.2 -2,-0.5 2,-0.5 -0.835 22.5-172.8 -92.2 106.0 85.8 5.3 4.0 12 12 A V E - b 0 78A 0 65,-2.1 67,-2.5 -2,-0.9 2,-0.5 -0.887 12.7-148.6-108.5 128.5 88.0 5.7 7.1 13 13 A I E - b 0 79A 0 -2,-0.5 41,-2.8 38,-0.3 2,-0.4 -0.828 9.8-148.5 -99.6 128.3 91.0 3.6 7.8 14 14 A G B +e 54 0B 0 65,-2.9 68,-1.5 -2,-0.5 67,-0.5 -0.812 38.3 120.2 -98.2 130.9 91.9 2.7 11.3 15 15 A S - 0 0 0 39,-2.4 2,-0.3 -2,-0.4 9,-0.0 -0.817 50.0 -98.4-157.8-162.3 95.5 2.2 12.4 16 16 A Q - 0 0 4 -2,-0.2 3,-0.4 68,-0.1 40,-0.2 -0.952 14.0-134.6-133.0 157.4 98.3 3.5 14.7 17 17 A H S S+ 0 0 123 38,-1.0 3,-0.3 -2,-0.3 39,-0.1 0.253 91.3 87.3 -89.3 12.1 101.3 5.8 14.3 18 18 A L S S+ 0 0 149 1,-0.2 -1,-0.2 37,-0.1 1353,-0.1 0.507 82.7 72.7 -64.9 -12.0 103.5 3.3 16.2 19 19 A Y S S- 0 0 41 -3,-0.4 -1,-0.2 1,-0.1 4,-0.1 0.294 97.6 -56.9-149.7 -53.0 104.0 1.9 13.1 20 20 A G >> - 0 0 17 -3,-0.3 4,-3.1 3,-0.1 5,-0.5 0.123 23.3-135.5 143.5 113.9 106.1 2.9 10.1 21 21 A P T 45S+ 0 0 115 0, 0.0 -1,-0.0 0, 0.0 -4,-0.0 0.631 121.4 35.7 -80.8 3.6 106.0 6.0 7.9 22 22 A E T >>5S+ 0 0 147 2,-0.1 3,-2.7 3,-0.1 4,-1.8 0.765 109.4 59.0 -71.9 -64.9 106.3 3.4 5.4 23 23 A T H 3>5S+ 0 0 37 1,-0.3 4,-1.8 2,-0.2 -3,-0.1 0.828 110.7 47.3 -37.7 -43.0 104.1 0.7 7.0 24 24 A L H 3X5S+ 0 0 18 -4,-3.1 4,-3.0 2,-0.2 -1,-0.3 0.827 106.6 58.3 -63.4 -34.7 101.2 3.4 6.9 25 25 A R H <>S+ 0 0 19 -4,-2.1 4,-2.5 -5,-0.2 5,-0.7 0.875 113.0 46.8 -62.3 -39.6 87.9 -0.7 -7.0 38 38 A L H X>S+ 0 0 4 -4,-2.3 4,-1.1 3,-0.2 5,-0.6 0.925 111.5 49.9 -68.4 -47.3 84.6 -0.4 -5.0 39 39 A N H <5S+ 0 0 63 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.869 119.9 37.6 -58.0 -39.3 83.6 2.9 -6.5 40 40 A T H <5S+ 0 0 108 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.911 134.7 14.7 -79.9 -45.4 84.2 1.6 -10.0 41 41 A E H <5S+ 0 0 157 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.802 107.8 71.9-105.5 -37.4 83.0 -2.0 -9.8 42 42 A A T < S- 0 0 36 -3,-0.2 4,-2.0 -40,-0.2 5,-0.2 -0.850 83.3-109.5-126.2 164.6 96.0 9.4 16.5 57 57 A P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.932 117.7 48.2 -58.0 -47.6 93.2 10.5 18.8 58 58 A D H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.800 110.5 52.3 -67.4 -30.1 93.1 14.1 17.4 59 59 A E H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 112.8 43.8 -67.7 -45.3 93.1 12.8 13.8 60 60 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.876 113.7 50.7 -69.0 -39.8 90.1 10.5 14.5 61 61 A T H X S+ 0 0 27 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.903 109.7 52.1 -61.8 -42.1 88.4 13.3 16.5 62 62 A A H X S+ 0 0 24 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.912 108.3 50.1 -60.4 -45.8 89.0 15.6 13.5 63 63 A I H X S+ 0 0 15 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.914 113.3 45.4 -60.3 -45.7 87.5 13.2 11.0 64 64 A C H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 33,-0.3 0.891 112.4 52.3 -64.7 -41.3 84.3 12.7 13.2 65 65 A R H X S+ 0 0 136 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.933 113.5 43.2 -57.5 -49.5 84.1 16.5 13.7 66 66 A D H X S+ 0 0 65 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.884 110.0 57.5 -63.2 -42.0 84.3 17.0 9.9 67 67 A A H < S+ 0 0 0 -4,-2.6 6,-0.2 1,-0.2 -2,-0.2 0.893 106.5 48.4 -57.2 -44.5 81.8 14.2 9.3 68 68 A N H < S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 113.8 47.9 -63.1 -36.7 79.2 15.8 11.5 69 69 A Y H < S+ 0 0 199 -4,-1.3 2,-0.6 -5,-0.2 -2,-0.2 0.893 91.7 84.4 -73.8 -43.9 79.7 19.2 9.7 70 70 A D >< - 0 0 46 -4,-2.6 3,-1.2 1,-0.2 -1,-0.0 -0.508 61.8-161.2 -70.7 111.9 79.5 17.9 6.1 71 71 A D T 3 S+ 0 0 109 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.704 91.0 57.9 -66.2 -20.5 75.9 17.7 5.1 72 72 A R T 3 S+ 0 0 97 -65,-0.1 -64,-3.0 2,-0.0 2,-0.8 0.650 82.1 98.3 -81.4 -18.2 76.9 15.4 2.2 73 73 A C E < +b 8 0A 0 -3,-1.2 -64,-0.2 -6,-0.2 3,-0.1 -0.642 45.5 174.4 -76.7 109.0 78.4 12.9 4.6 74 74 A A E - 0 0 0 -66,-2.8 2,-0.3 -2,-0.8 -65,-0.2 0.601 59.7 -43.1 -91.2 -14.9 75.8 10.2 5.2 75 75 A G E -b 9 0A 0 -67,-0.6 -65,-2.6 23,-0.2 2,-0.4 -0.964 54.4 -94.1 169.3 176.6 78.0 8.0 7.3 76 76 A L E -bc 10 100A 1 23,-2.3 25,-2.5 -2,-0.3 2,-0.5 -0.960 15.9-162.8-117.5 135.7 81.3 6.3 7.9 77 77 A V E -bc 11 101A 1 -67,-2.9 -65,-2.1 -2,-0.4 2,-0.5 -0.989 22.6-155.7-112.6 121.0 82.5 2.8 6.9 78 78 A V E -bc 12 102A 0 23,-2.9 25,-2.2 -2,-0.5 2,-0.6 -0.838 14.3-168.6-105.7 128.0 85.5 2.0 9.0 79 79 A W E -b 13 0A 3 -67,-2.5 -65,-2.9 -2,-0.5 2,-1.5 -0.968 10.5-156.3-113.4 115.7 88.2 -0.5 8.0 80 80 A L + 0 0 1 -2,-0.6 50,-0.2 23,-0.3 49,-0.1 -0.643 21.8 170.1 -91.1 79.2 90.5 -1.4 10.8 81 81 A H + 0 0 4 -2,-1.5 44,-1.6 -67,-0.5 45,-0.4 0.905 68.0 14.5 -59.2 -49.4 93.5 -2.5 8.7 82 82 A T S S- 0 0 1 -68,-1.5 2,-0.2 -3,-0.2 -68,-0.1 -0.635 109.1 -66.0-112.0 177.4 95.8 -2.6 11.6 83 83 A F - 0 0 14 -2,-0.2 -1,-0.1 39,-0.1 46,-0.1 -0.500 51.6-175.2 -61.2 131.7 95.3 -2.7 15.4 84 84 A S - 0 0 0 45,-0.3 5,-0.1 -2,-0.2 -68,-0.1 -0.758 27.9-124.3-139.8 84.9 93.9 0.7 16.3 85 85 A P > - 0 0 18 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.010 17.2-136.6 -41.8 124.9 93.5 1.1 20.1 86 86 A A T >> S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.7 0.669 95.5 71.4 -67.9 -23.5 89.9 2.0 20.7 87 87 A K H >> S+ 0 0 20 1098,-2.7 3,-0.6 1,-0.3 4,-0.6 0.806 90.8 63.8 -59.2 -31.4 90.5 4.8 23.3 88 88 A X H <4 S+ 0 0 14 -3,-1.6 4,-0.3 1097,-0.5 -1,-0.3 0.759 105.3 45.5 -58.1 -29.0 91.8 6.8 20.3 89 89 A W H <> S+ 0 0 3 -3,-1.4 4,-3.3 -4,-0.3 5,-0.3 0.598 89.4 87.2 -91.9 -15.0 88.3 6.7 18.9 90 90 A I H > S+ 0 0 0 -4,-0.3 4,-1.4 2,-0.2 3,-0.5 0.931 113.7 47.6 -70.4 -48.5 85.4 11.1 18.2 93 93 A L H 3< S+ 0 0 0 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.807 106.1 60.4 -64.5 -31.1 82.7 8.4 18.5 94 94 A T H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.849 113.8 35.3 -62.1 -36.0 81.2 10.3 21.5 95 95 A X H << S+ 0 0 85 -4,-0.8 2,-0.2 -3,-0.5 -2,-0.2 0.657 90.2 116.0 -91.9 -19.1 80.5 13.4 19.3 96 96 A L < + 0 0 19 -4,-1.4 -31,-0.1 1,-0.2 4,-0.1 -0.347 32.1 172.8 -64.9 118.5 79.7 11.4 16.1 97 97 A N + 0 0 94 -33,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.284 55.3 87.4-107.7 8.0 76.1 12.0 15.0 98 98 A K S S- 0 0 13 -34,-0.1 -23,-0.2 1,-0.1 -24,-0.1 -0.864 87.4-100.1-106.6 143.9 76.5 10.2 11.6 99 99 A P - 0 0 18 0, 0.0 -23,-2.3 0, 0.0 2,-0.4 -0.199 36.6-150.0 -66.3 155.3 75.9 6.4 11.4 100 100 A L E -cd 76 144A 4 43,-0.6 45,-1.9 -25,-0.2 2,-0.4 -0.967 13.5-172.1-133.5 137.9 78.9 4.0 11.3 101 101 A L E -cd 77 145A 1 -25,-2.5 -23,-2.9 -2,-0.4 2,-0.6 -0.998 17.6-141.4-128.7 130.8 79.6 0.6 9.7 102 102 A Q E -cd 78 146A 4 43,-3.0 45,-2.6 -2,-0.4 2,-1.0 -0.840 7.8-155.3 -88.3 120.2 82.6 -1.6 10.3 103 103 A F E - d 0 147A 0 -25,-2.2 2,-1.9 -2,-0.6 -23,-0.3 -0.829 9.8-159.3 -90.5 97.4 83.7 -3.3 7.1 104 104 A H E + d 0 148A 2 43,-2.3 45,-1.6 -2,-1.0 2,-0.1 -0.559 40.0 138.7 -81.8 80.5 85.5 -6.3 8.7 105 105 A T - 0 0 2 -2,-1.9 2,-0.3 43,-0.2 45,-0.2 -0.457 40.9-141.8-120.5-173.8 87.7 -7.1 5.7 106 106 A Q - 0 0 3 43,-0.3 45,-0.8 1,-0.2 -25,-0.0 -0.988 19.2-123.8-158.7 157.4 91.2 -8.1 4.7 107 107 A F S S+ 0 0 52 -2,-0.3 -1,-0.2 -26,-0.1 44,-0.1 0.944 96.0 26.5 -69.5 -79.5 93.6 -7.5 1.9 108 108 A N - 0 0 37 2,-0.1 43,-0.2 1,-0.1 3,-0.1 -0.105 65.2-156.4 -12.3 146.0 94.4 -10.7 0.5 109 109 A A S S+ 0 0 23 1,-0.1 1228,-3.0 -2,-0.1 2,-0.3 0.569 77.4 65.2-122.6 -43.3 91.8 -13.6 0.8 110 110 A A S S- 0 0 64 1226,-0.2 -1,-0.1 1,-0.0 -2,-0.1 -0.650 89.2-121.1 -79.0 144.2 94.1 -16.6 0.6 111 111 A L - 0 0 11 -2,-0.3 2,-2.2 -3,-0.1 3,-0.1 -0.820 17.2-132.2 -90.1 116.9 96.6 -17.0 3.4 112 112 A P >> + 0 0 39 0, 0.0 4,-2.9 0, 0.0 3,-0.9 -0.428 31.8 178.7 -71.8 80.9 100.2 -16.9 2.1 113 113 A W T 34 S+ 0 0 82 -2,-2.2 1306,-0.6 1,-0.3 1307,-0.2 0.818 74.5 40.9 -55.2 -41.8 101.3 -20.0 4.0 114 114 A D T 34 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 1303,-0.1 0.640 125.2 33.6 -87.0 -17.3 104.9 -20.1 2.8 115 115 A S T <4 S+ 0 0 91 -3,-0.9 -2,-0.2 2,-0.1 5,-0.2 0.600 81.8 121.9-110.7 -17.5 105.7 -16.3 2.9 116 116 A I < + 0 0 16 -4,-2.9 2,-0.2 4,-0.1 -5,-0.0 -0.241 37.0 153.9 -55.6 126.2 103.6 -15.2 5.9 117 117 A D > - 0 0 18 1303,-0.1 4,-2.1 1304,-0.1 5,-0.2 -0.816 59.7 -80.2-143.4-177.8 106.0 -13.5 8.4 118 118 A X H > S+ 0 0 43 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.800 124.6 58.3 -62.5 -32.0 106.0 -10.9 11.2 119 119 A D H > S+ 0 0 152 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.951 109.4 44.0 -60.6 -49.5 106.2 -8.1 8.7 120 120 A F H >> S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 3,-0.6 0.873 115.0 50.3 -59.4 -40.2 102.9 -9.3 7.2 121 121 A X H 3< S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.838 106.1 54.8 -69.0 -34.7 101.5 -9.8 10.7 122 122 A N H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.621 120.8 30.8 -74.9 -14.1 102.6 -6.3 11.8 123 123 A L H << S+ 0 0 13 -4,-0.7 2,-0.8 -3,-0.6 -2,-0.2 0.740 115.6 50.9-110.6 -37.4 100.6 -4.7 8.8 124 124 A N < + 0 0 16 -4,-2.8 -42,-0.2 -5,-0.2 -1,-0.2 -0.724 65.1 129.1-107.3 83.1 97.6 -7.0 8.0 125 125 A Q >> + 0 0 20 -44,-1.6 4,-2.8 -2,-0.8 3,-1.1 -0.059 11.0 130.1-133.2 38.1 95.8 -7.5 11.3 126 126 A T H 3> + 0 0 5 -45,-0.4 4,-2.7 1,-0.2 5,-0.3 0.854 65.7 78.4 -54.6 -34.1 92.1 -6.7 10.8 127 127 A A H 34 S+ 0 0 0 1206,-0.4 -1,-0.2 1,-0.2 1205,-0.1 0.834 115.7 12.3 -44.8 -45.1 91.4 -10.1 12.4 128 128 A H H X> S+ 0 0 18 -3,-1.1 4,-1.8 1205,-0.3 3,-1.0 0.752 121.7 64.9-103.8 -34.7 92.0 -8.6 15.9 129 129 A G H 3X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.3 -45,-0.3 0.856 102.7 51.9 -54.0 -37.6 92.1 -4.9 15.1 130 130 A G H 3X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.3 0.691 106.6 53.4 -73.2 -21.1 88.4 -5.1 14.2 131 131 A R H <> S+ 0 0 10 -3,-1.0 4,-1.9 -5,-0.3 -2,-0.2 0.846 104.6 52.5 -84.2 -38.4 87.5 -6.8 17.5 132 132 A E H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.875 112.7 47.1 -60.4 -39.4 89.0 -4.2 19.7 133 133 A F H X S+ 0 0 0 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.858 106.8 57.5 -69.6 -38.0 87.0 -1.6 17.8 134 134 A G H X S+ 0 0 7 -4,-1.2 4,-2.3 1,-0.2 5,-0.2 0.876 102.3 56.5 -58.4 -39.2 83.9 -3.8 18.1 135 135 A F H X S+ 0 0 8 -4,-1.9 4,-3.6 1,-0.2 5,-0.2 0.934 103.7 50.7 -57.6 -51.0 84.2 -3.7 21.9 136 136 A I H X S+ 0 0 7 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.849 111.7 48.8 -63.1 -35.2 84.2 0.1 22.2 137 137 A G H <>S+ 0 0 1 -4,-1.5 5,-2.4 2,-0.2 4,-0.4 0.940 116.0 42.5 -65.0 -48.8 81.0 0.2 20.1 138 138 A A H <5S+ 0 0 20 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.864 113.9 52.9 -65.6 -38.1 79.3 -2.4 22.2 139 139 A R H <5S+ 0 0 110 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.915 113.5 41.8 -62.9 -45.1 80.6 -0.8 25.4 140 140 A X T <5S- 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.491 109.0-128.1 -80.1 -3.7 79.2 2.6 24.4 141 141 A R T 5 + 0 0 97 -3,-0.4 2,-0.3 -4,-0.4 -3,-0.2 0.852 52.0 159.8 53.6 40.2 76.1 0.9 23.2 142 142 A Q < - 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t 0 577G 3 65,-2.1 67,-2.5 -2,-0.9 2,-0.5 -0.883 13.0-148.4-109.5 128.8 28.4 -5.2 19.4 512 13 B I E - t 0 578G 0 -2,-0.5 41,-2.8 38,-0.3 2,-0.4 -0.827 9.4-148.4 -99.8 128.5 28.6 -3.8 15.9 513 14 B G B +w 553 0H 0 65,-2.9 68,-1.5 -2,-0.5 67,-0.5 -0.813 36.7 125.2 -98.2 130.5 31.0 -0.9 15.2 514 15 B S - 0 0 1 39,-2.4 2,-0.2 -2,-0.4 9,-0.0 -0.823 37.2-136.1-156.8-164.0 30.3 1.7 12.6 515 16 B Q - 0 0 18 -2,-0.2 3,-0.1 68,-0.1 4,-0.1 -0.769 28.5-104.8-148.9-166.5 29.9 5.5 11.9 516 17 B H S S+ 0 0 108 38,-0.2 3,-0.1 -2,-0.2 6,-0.1 0.378 77.5 110.8-112.6 5.5 27.6 8.0 10.1 517 18 B L S S+ 0 0 64 1,-0.2 -1,-0.1 -144,-0.0 0, 0.0 0.758 97.8 10.4 -57.4 -33.1 29.7 8.9 7.0 518 19 B Y S S+ 0 0 44 -3,-0.1 4,-0.3 103,-0.1 3,-0.3 0.455 109.6 147.0-123.7 -6.9 27.4 7.1 4.5 519 20 B G + 0 0 27 1,-0.2 -3,-0.1 -3,-0.1 0, 0.0 0.419 20.7 54.0 -51.4-169.7 24.2 6.2 6.4 520 21 B P S > S+ 0 0 96 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 -0.939 119.3 34.0 -95.4 1.8 21.3 5.6 7.3 521 22 B E H > S+ 0 0 141 -3,-0.3 4,-1.8 2,-0.2 -2,-0.1 0.747 120.2 53.2 -83.2 -32.9 20.4 3.0 4.6 522 23 B T H > S+ 0 0 25 -4,-0.3 4,-2.1 2,-0.2 -3,-0.1 0.911 110.9 46.9 -58.3 -46.3 24.0 1.8 4.7 523 24 B L H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.836 107.4 56.7 -65.1 -35.7 23.5 1.4 8.5 524 25 B R H X S+ 0 0 37 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.917 108.1 48.2 -57.5 -44.2 20.2 -0.4 7.8 525 26 B Q H X S+ 0 0 86 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.903 110.5 50.5 -64.1 -44.1 22.2 -2.9 5.7 526 27 B V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.916 109.2 51.0 -60.2 -46.4 24.8 -3.3 8.5 527 28 B T H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.884 108.9 52.3 -57.3 -40.8 22.1 -3.9 11.1 528 29 B Q H X S+ 0 0 125 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.898 110.0 47.8 -62.5 -44.0 20.5 -6.6 8.7 529 30 B H H X S+ 0 0 25 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.934 111.7 50.8 -60.6 -47.6 23.9 -8.4 8.4 530 31 B A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.898 111.0 47.0 -58.9 -45.8 24.4 -8.3 12.2 531 32 B E H X S+ 0 0 101 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.912 114.7 47.7 -62.8 -44.0 20.9 -9.8 12.9 532 33 B H H X S+ 0 0 103 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.924 115.6 44.6 -61.1 -48.1 21.4 -12.5 10.3 533 34 B V H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.944 114.5 46.9 -63.2 -51.8 24.9 -13.3 11.6 534 35 B V H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 13,-0.2 0.900 113.9 48.2 -60.9 -44.1 24.0 -13.3 15.3 535 36 B N H X S+ 0 0 98 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.919 111.8 49.4 -61.0 -45.9 20.8 -15.4 14.7 536 37 B A H X>S+ 0 0 32 -4,-2.1 4,-2.5 -5,-0.2 5,-0.7 0.875 113.1 47.3 -62.9 -38.4 22.7 -18.0 12.6 537 38 B L H X>S+ 0 0 8 -4,-2.3 4,-1.1 3,-0.2 5,-0.6 0.926 111.1 49.8 -68.4 -47.5 25.5 -18.2 15.3 538 39 B N H <5S+ 0 0 67 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.868 119.7 38.5 -58.4 -38.5 23.0 -18.7 18.2 539 40 B T H <5S+ 0 0 123 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.903 134.9 12.9 -78.9 -46.0 21.2 -21.4 16.3 540 41 B E H <5S+ 0 0 74 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.787 107.3 73.7-106.6 -36.7 24.0 -23.3 14.6 541 42 B A T < S- 0 0 41 -3,-0.2 4,-2.0 -40,-0.1 5,-0.2 -0.854 83.6-109.2-126.0 164.3 28.7 7.7 18.1 556 57 B P H > S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.931 117.8 48.5 -57.0 -48.2 30.9 8.2 21.2 557 58 B D H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.801 110.3 52.3 -66.9 -30.3 27.9 8.4 23.6 558 59 B E H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 112.7 43.9 -68.0 -45.0 26.3 5.3 22.1 559 60 B I H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.880 113.8 50.6 -69.5 -39.3 29.6 3.3 22.6 560 61 B T H X S+ 0 0 29 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.904 109.7 52.1 -61.4 -42.4 30.1 4.7 26.1 561 62 B A H X S+ 0 0 26 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.913 108.0 50.2 -60.3 -46.2 26.5 3.7 26.9 562 63 B I H X S+ 0 0 19 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.916 113.4 45.2 -60.3 -45.5 27.0 0.1 25.7 563 64 B C H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 33,-0.3 0.894 112.6 52.1 -64.4 -41.8 30.2 -0.2 27.8 564 65 B R H X S+ 0 0 143 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.935 113.5 43.4 -57.1 -49.8 28.4 1.4 30.8 565 66 B D H X S+ 0 0 69 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.885 109.6 57.9 -63.2 -42.0 25.5 -1.1 30.5 566 67 B A H < S+ 0 0 0 -4,-2.6 6,-0.2 1,-0.2 -1,-0.2 0.889 106.5 47.9 -56.8 -44.7 27.9 -4.0 30.0 567 68 B N H < S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.5 48.6 -63.1 -36.8 29.7 -3.3 33.3 568 69 B Y H < S+ 0 0 202 -4,-1.3 2,-0.6 -5,-0.2 -2,-0.2 0.886 91.8 83.3 -74.4 -42.4 26.3 -3.0 35.1 569 70 B D >< - 0 0 53 -4,-2.5 3,-1.2 1,-0.2 -1,-0.0 -0.526 62.5-161.2 -71.2 111.5 24.8 -6.2 33.8 570 71 B D T 3 S+ 0 0 114 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.717 90.6 58.1 -65.9 -20.5 26.0 -9.1 35.9 571 72 B R T 3 S+ 0 0 99 -65,-0.1 -64,-3.0 2,-0.0 2,-0.8 0.650 81.9 98.9 -81.9 -17.9 25.0 -11.6 33.1 572 73 B C E < +t 507 0G 0 -3,-1.2 -64,-0.2 -6,-0.2 3,-0.1 -0.641 45.4 174.6 -75.9 109.8 27.3 -9.8 30.6 573 74 B A E - 0 0 0 -66,-2.8 2,-0.3 -2,-0.8 -65,-0.2 0.584 59.7 -43.5 -91.1 -15.5 30.5 -11.9 30.5 574 75 B G E -t 508 0G 0 -67,-0.6 -65,-2.6 23,-0.2 2,-0.4 -0.961 54.5 -93.9 169.2 176.3 32.1 -9.9 27.7 575 76 B L E -tu 509 599G 1 23,-2.3 25,-2.6 -2,-0.3 2,-0.5 -0.961 15.7-162.1-117.6 136.2 31.8 -8.2 24.3 576 77 B V E -tu 510 600G 1 -67,-2.9 -65,-2.1 -2,-0.4 2,-0.5 -0.989 23.0-155.7-112.4 120.9 32.6 -9.6 20.9 577 78 B V E -tu 511 601G 0 23,-2.9 25,-2.2 -2,-0.5 2,-0.6 -0.835 14.3-168.4-105.9 127.8 33.0 -6.6 18.6 578 79 B W E -t 512 0G 1 -67,-2.5 -65,-2.9 -2,-0.5 2,-1.5 -0.966 10.1-156.7-113.4 115.7 32.5 -6.6 14.8 579 80 B L + 0 0 0 -2,-0.6 50,-0.2 23,-0.3 49,-0.1 -0.649 21.5 170.3 -91.3 79.2 33.7 -3.5 13.0 580 81 B H + 0 0 1 -2,-1.5 44,-1.5 -67,-0.5 45,-0.4 0.913 67.9 13.3 -58.9 -50.6 31.5 -3.9 10.0 581 82 B T S S- 0 0 0 -68,-1.5 2,-0.2 -3,-0.2 41,-0.1 -0.613 109.1 -64.8-111.4 178.5 32.4 -0.4 8.7 582 83 B F - 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0 0 57 -5,-2.4 2,-1.6 -6,-0.2 -1,-0.2 -0.657 52.0-110.0 -89.5 146.4 68.1 -18.9 44.0 1141 143 C Q + 0 0 79 -2,-0.3 2,-0.7 325,-0.1 -43,-0.6 -0.595 48.8 171.2 -78.3 86.7 70.2 -20.7 41.3 1142 144 C H E -n 1098 0M 26 -2,-1.6 -43,-0.2 -199,-0.1 2,-0.1 -0.895 22.4-147.1-102.3 113.0 69.2 -24.3 42.1 1143 145 C A E -n 1099 0M 29 -45,-1.9 -43,-3.1 -2,-0.7 2,-0.4 -0.421 14.2-159.4 -69.6 151.9 70.4 -26.9 39.7 1144 146 C V E -n 1100 0M 13 -45,-0.2 2,-0.4 -2,-0.1 -43,-0.2 -0.996 14.3-179.5-136.9 132.9 68.1 -29.9 39.2 1145 147 C V E -n 1101 0M 6 -45,-2.5 -43,-2.3 -2,-0.4 2,-0.4 -0.986 11.6-161.0-130.1 122.1 68.9 -33.4 37.8 1146 148 C T E +n 1102 0M 3 -2,-0.4 2,-0.2 -45,-0.2 -43,-0.2 -0.861 38.2 91.2-103.5 136.2 66.1 -36.0 37.5 1147 149 C G S S- 0 0 1 -45,-1.6 -43,-0.3 -2,-0.4 2,-0.1 -0.794 75.4 -64.6 160.5 162.9 66.8 -39.7 37.2 1148 150 C H > - 0 0 18 -2,-0.2 3,-2.3 -45,-0.2 6,-0.2 -0.427 50.0-117.7 -66.0 144.5 67.3 -43.0 39.1 1149 151 C W T 3 S+ 0 0 10 -45,-0.8 -1,-0.1 1,-0.3 -44,-0.1 0.660 114.8 51.6 -63.9 -18.4 70.5 -43.0 41.3 1150 152 C Q T 3 S+ 0 0 121 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.424 81.5 117.9 -93.3 -1.0 72.0 -45.8 39.3 1151 153 C D <> - 0 0 53 -3,-2.3 4,-1.8 1,-0.2 3,-0.2 -0.548 54.7-155.9 -71.1 119.4 71.4 -44.0 35.9 1152 154 C K H > S+ 0 0 67 -2,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.772 93.5 57.7 -69.6 -28.7 74.8 -43.3 34.3 1153 155 C Q H > S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.877 107.8 48.1 -65.6 -39.4 73.4 -40.4 32.3 1154 156 C A H > S+ 0 0 3 -6,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.860 107.7 55.9 -68.1 -36.8 72.4 -38.8 35.6 1155 157 C H H X S+ 0 0 29 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.914 106.2 51.3 -58.4 -46.1 75.9 -39.5 37.0 1156 158 C E H X S+ 0 0 147 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.914 112.2 45.0 -56.8 -47.6 77.4 -37.5 34.2 1157 159 C R H X S+ 0 0 95 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.905 114.7 47.4 -68.9 -42.5 75.2 -34.5 34.7 1158 160 C I H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.947 113.8 48.6 -60.9 -49.4 75.7 -34.5 38.5 1159 161 C G H X S+ 0 0 6 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.880 107.9 55.1 -56.7 -41.7 79.4 -34.9 38.0 1160 162 C S H X S+ 0 0 13 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.872 110.1 46.2 -60.1 -39.4 79.4 -32.0 35.4 1161 163 C W H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.877 107.6 56.5 -69.1 -40.1 77.7 -29.8 38.0 1162 164 C X H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.868 102.4 58.0 -60.3 -37.1 80.2 -30.8 40.7 1163 165 C R H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.916 107.4 45.3 -55.0 -49.5 83.0 -29.7 38.4 1164 166 C Q H X S+ 0 0 2 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.869 109.2 57.0 -64.6 -38.8 81.5 -26.2 38.2 1165 167 C A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.945 109.5 44.5 -55.7 -51.1 81.1 -26.2 42.0 1166 168 C V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 110.7 54.8 -60.2 -45.4 84.8 -26.9 42.5 1167 169 C S H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.868 104.9 54.1 -56.4 -41.0 85.7 -24.3 39.9 1168 170 C K H X S+ 0 0 38 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.896 110.8 44.9 -63.5 -43.6 83.7 -21.6 41.8 1169 171 C Q H >< S+ 0 0 17 -4,-1.6 3,-1.0 2,-0.2 4,-0.4 0.948 113.1 49.9 -64.5 -50.6 85.6 -22.3 45.1 1170 172 C D H >< S+ 0 0 16 -4,-2.5 3,-2.0 1,-0.2 4,-0.2 0.902 105.4 57.6 -54.2 -46.0 89.0 -22.4 43.5 1171 173 C T H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.752 94.2 66.9 -59.5 -26.8 88.4 -19.1 41.6 1172 174 C R T << S+ 0 0 100 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.672 108.8 38.5 -67.6 -20.0 87.7 -17.4 45.0 1173 175 C H T < S+ 0 0 121 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.2 0.267 87.3 125.3-110.9 7.6 91.4 -18.0 45.8 1174 176 C L < - 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