==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-OCT-99 1D6M . COMPND 2 MOLECULE: DNA TOPOISOMERASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.MONDRAGON,R.DIGATE . 603 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 12.9 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 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 . 48 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 4 0 1 0 0 4 0 3 1 3 1 0 2 0 0 0 0 1 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 4 4 2 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 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 1 A M 0 0 45 0, 0.0 95,-2.5 0, 0.0 96,-1.6 0.000 360.0 360.0 360.0-169.2 180.8 71.1 6.1 2 2 A R E -ab 36 97A 49 33,-1.3 35,-2.4 94,-0.2 2,-0.6 -0.980 360.0-149.6-121.4 121.9 179.1 72.0 9.3 3 3 A L E -ab 37 98A 0 94,-2.2 96,-3.2 -2,-0.5 2,-0.7 -0.800 7.6-163.1 -99.5 124.7 175.4 73.0 9.1 4 4 A F E -ab 38 99A 0 33,-2.9 35,-1.8 -2,-0.6 2,-1.1 -0.862 4.8-165.7-102.9 104.2 173.7 75.5 11.5 5 5 A I E -ab 39 100A 0 94,-2.0 96,-2.0 -2,-0.7 35,-0.2 -0.749 17.0-170.2 -93.2 96.6 169.9 75.1 11.3 6 6 A A E -ab 40 101A 0 33,-2.3 35,-2.1 -2,-1.1 96,-0.3 -0.285 31.6-116.7 -80.6 166.5 168.7 78.3 13.1 7 7 A E S S- 0 0 31 94,-1.1 36,-0.5 33,-0.2 95,-0.1 0.837 89.6 -9.4 -64.6 -49.8 165.1 79.1 14.1 8 8 A K S > S- 0 0 67 31,-0.1 4,-1.6 34,-0.1 -1,-0.2 -0.950 77.4 -92.2-147.5 169.7 164.7 82.1 11.8 9 9 A P H > S+ 0 0 38 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.933 118.9 57.6 -57.4 -49.9 166.8 84.4 9.5 10 10 A S H > S+ 0 0 25 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.912 111.2 42.4 -50.9 -47.0 167.6 87.0 12.2 11 11 A L H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.807 111.0 57.6 -71.0 -27.3 169.2 84.3 14.4 12 12 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.3 -2,-0.2 0.927 105.7 49.4 -69.0 -39.7 170.9 82.8 11.3 13 13 A R H X S+ 0 0 146 -4,-2.9 4,-3.6 2,-0.2 -2,-0.2 0.980 109.3 52.3 -61.4 -51.7 172.6 86.2 10.6 14 14 A A H X S+ 0 0 12 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.891 112.5 44.6 -51.7 -48.7 173.8 86.4 14.2 15 15 A I H >< S+ 0 0 0 -4,-2.2 3,-1.5 2,-0.2 4,-0.5 0.986 116.2 46.0 -60.0 -55.5 175.3 82.9 14.1 16 16 A A H >< S+ 0 0 3 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.904 103.7 66.1 -52.9 -45.3 176.9 83.6 10.7 17 17 A D H 3< S+ 0 0 97 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.735 105.8 40.0 -44.6 -40.4 178.1 87.0 11.9 18 18 A V T << S+ 0 0 34 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 0.355 102.1 93.2 -96.5 3.6 180.6 85.4 14.4 19 19 A L S < S- 0 0 20 -3,-2.2 15,-0.1 -4,-0.5 14,-0.1 -0.431 90.5 -48.7 -91.1 167.3 181.6 82.7 12.0 20 20 A P - 0 0 42 0, 0.0 13,-1.2 0, 0.0 -1,-0.2 0.179 65.6 -88.5 -49.0 152.5 184.6 82.8 9.7 21 21 A K S S+ 0 0 194 11,-0.2 2,-0.7 -3,-0.1 -2,-0.1 0.538 100.2 64.4 -28.5 -66.3 185.5 85.7 7.4 22 22 A P - 0 0 58 0, 0.0 2,-0.8 0, 0.0 11,-0.2 -0.639 62.4-170.5 -77.9 109.3 183.9 85.3 4.0 23 23 A H - 0 0 86 -2,-0.7 2,-0.9 9,-0.2 9,-0.2 -0.823 3.1-168.3-105.5 105.5 180.1 85.5 4.3 24 24 A R E -C 31 0A 157 7,-3.8 7,-3.5 -2,-0.8 2,-0.4 -0.762 16.8-141.1 -96.7 106.1 178.1 84.6 1.2 25 25 A K E -C 30 0A 195 -2,-0.9 5,-0.2 5,-0.2 2,-0.1 -0.487 31.1-179.6 -63.2 114.0 174.4 85.5 1.5 26 26 A G - 0 0 23 3,-1.9 2,-0.8 -2,-0.4 -1,-0.1 -0.242 39.5 -82.6-104.4-166.3 172.5 82.7 -0.2 27 27 A D S S- 0 0 144 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 -0.907 116.5 -14.0-101.9 94.0 168.8 81.9 -0.9 28 28 A G S S+ 0 0 9 -2,-0.8 12,-0.8 1,-0.2 2,-0.2 0.361 136.8 57.9 86.9 4.4 167.6 80.3 2.4 29 29 A F - 0 0 32 10,-0.2 -3,-1.9 -5,-0.0 2,-0.3 -0.795 69.2-135.0-152.4 173.5 171.2 79.9 3.6 30 30 A I E -C 25 0A 20 8,-0.3 8,-2.3 -5,-0.2 2,-0.6 -0.918 19.3-143.0-140.5 116.0 174.5 81.9 4.3 31 31 A E E -CD 24 37A 95 -7,-3.5 -7,-3.8 -2,-0.3 2,-0.3 -0.734 27.1-177.5 -83.3 118.2 177.8 80.4 3.1 32 32 A C E > - D 0 36A 7 4,-2.8 4,-1.3 -2,-0.6 3,-0.2 -0.767 28.7 -89.6-117.5 164.8 180.5 81.1 5.6 33 33 A G T 4 S+ 0 0 11 -13,-1.2 -1,-0.2 -2,-0.3 -12,-0.0 0.009 100.5 38.9 -63.4 171.8 184.3 80.4 5.7 34 34 A N T 4 S- 0 0 134 1,-0.2 -1,-0.2 -15,-0.1 -32,-0.1 0.878 133.0 -60.5 53.7 48.7 185.8 77.2 7.1 35 35 A G T 4 S+ 0 0 44 -3,-0.2 -33,-1.3 1,-0.2 2,-0.4 0.972 96.6 145.1 44.7 68.3 183.1 74.9 5.7 36 36 A Q E < -aD 2 32A 15 -4,-1.3 -4,-2.8 -35,-0.2 2,-0.4 -0.936 25.8-178.0-141.8 110.6 180.3 76.5 7.7 37 37 A V E -aD 3 31A 4 -35,-2.4 -33,-2.9 -2,-0.4 2,-0.6 -0.922 10.2-159.3-112.5 138.9 176.8 76.9 6.4 38 38 A V E +a 4 0A 0 -8,-2.3 -8,-0.3 -2,-0.4 -33,-0.2 -0.897 20.8 164.9-116.6 106.5 174.0 78.7 8.2 39 39 A T E -a 5 0A 0 -35,-1.8 -33,-2.3 -2,-0.6 2,-0.3 -0.372 15.0-154.1-110.2-175.1 170.4 77.8 7.2 40 40 A W E -a 6 0A 31 -12,-0.8 -33,-0.2 -35,-0.2 48,-0.1 -0.987 17.9-115.6-160.3 155.0 167.0 78.4 8.9 41 41 A C - 0 0 1 -35,-2.1 3,-0.1 -2,-0.3 2,-0.1 -0.310 18.1-150.7 -82.3 165.4 163.4 77.5 9.4 42 42 A I - 0 0 62 1,-1.2 -34,-0.1 -34,-0.1 43,-0.1 -0.671 69.0 -57.2-135.4 69.4 160.6 79.9 8.3 43 43 A G S S- 0 0 42 -36,-0.5 -1,-1.2 -2,-0.1 2,-0.3 -0.345 114.5 -16.6 73.2-167.5 157.9 79.0 10.9 44 44 A H - 0 0 93 1,-0.2 37,-0.2 -3,-0.1 34,-0.1 -0.490 56.9-167.2 -69.5 128.5 157.0 75.3 10.7 45 45 A L S S+ 0 0 1 -2,-0.3 33,-4.4 66,-0.2 36,-0.2 0.910 79.9 47.8 -81.4 -37.2 158.3 73.8 7.4 46 46 A L E S-G 77 0B 0 31,-0.3 2,-0.3 65,-0.2 69,-0.1 -0.402 72.6-172.8 -90.0 167.4 156.2 70.7 8.1 47 47 A E E -G 76 0B 74 29,-1.2 29,-3.6 -2,-0.1 2,-0.5 -0.950 33.0 -79.2-156.6 163.3 152.5 70.8 9.1 48 48 A Q E -G 75 0B 46 -2,-0.3 27,-0.2 27,-0.2 25,-0.0 -0.621 39.8-119.7 -87.0 123.7 150.0 68.2 10.2 49 49 A A - 0 0 1 25,-1.8 25,-0.1 -2,-0.5 -1,-0.1 -0.139 34.8-119.6 -49.9 142.1 148.2 65.9 7.8 50 50 A Q >> - 0 0 98 1,-0.0 3,-2.5 124,-0.0 4,-0.5 -0.447 29.6 -92.6 -84.7 166.9 144.4 66.4 7.9 51 51 A P H >> S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-1.2 0.848 124.1 55.8 -47.8 -44.7 141.8 63.8 8.8 52 52 A D H 34 S+ 0 0 89 6,-0.3 7,-0.2 1,-0.3 6,-0.1 0.703 95.2 68.6 -62.8 -21.6 141.3 62.7 5.1 53 53 A A H <4 S+ 0 0 33 -3,-2.5 -1,-0.3 1,-0.2 3,-0.2 0.739 100.4 47.1 -71.1 -24.6 145.0 62.0 4.8 54 54 A Y H << S- 0 0 46 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.876 137.6 -4.5 -82.7 -39.8 144.7 59.0 7.2 55 55 A D >< - 0 0 52 -4,-1.2 3,-2.0 1,-0.1 -1,-0.4 -0.943 63.3-137.4-154.8 126.9 141.7 57.6 5.4 56 56 A S G > S+ 0 0 93 -2,-0.3 3,-1.3 1,-0.3 4,-0.2 0.800 103.1 64.3 -58.9 -26.5 139.8 59.2 2.5 57 57 A R G > S+ 0 0 156 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.715 87.7 71.4 -71.8 -15.2 136.4 58.3 4.0 58 58 A Y G < S+ 0 0 63 -3,-2.0 -6,-0.3 1,-0.2 -1,-0.3 0.398 77.0 82.1 -81.1 5.9 137.3 60.6 7.0 59 59 A A G < S+ 0 0 58 -3,-1.3 2,-0.5 -8,-0.2 -1,-0.2 0.742 81.3 70.5 -80.6 -27.0 136.8 63.6 4.6 60 60 A R S < S- 0 0 142 -3,-1.0 2,-0.9 -4,-0.2 -1,-0.0 -0.835 94.0-119.2 -97.1 129.8 133.0 63.4 5.1 61 61 A W + 0 0 108 -2,-0.5 2,-0.4 117,-0.0 -3,-0.1 -0.584 47.4 157.7 -71.6 104.0 131.9 64.5 8.6 62 62 A N > - 0 0 37 -2,-0.9 3,-1.0 1,-0.1 117,-0.1 -0.987 37.2-148.7-134.8 125.1 130.2 61.5 10.2 63 63 A L G > S+ 0 0 33 -2,-0.4 3,-3.1 1,-0.2 -1,-0.1 0.909 86.5 76.1 -53.6 -45.4 129.7 61.1 14.0 64 64 A A G 3 S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.717 109.4 25.9 -44.0 -37.0 129.9 57.2 13.9 65 65 A D G < S+ 0 0 61 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.048 90.5 137.3-117.4 29.2 133.7 57.1 13.5 66 66 A L < + 0 0 1 -3,-3.1 2,-0.7 2,-0.1 -1,-0.1 0.735 42.1 74.3 -47.9 -65.2 134.2 60.4 15.1 67 67 A P - 0 0 32 0, 0.0 2,-0.8 0, 0.0 104,-0.1 -0.533 69.1-166.3 -57.2 101.2 137.2 60.2 17.4 68 68 A I + 0 0 5 -2,-0.7 107,-0.2 103,-0.2 106,-0.1 -0.903 12.4 174.1 -98.0 105.1 139.9 60.1 14.7 69 69 A V - 0 0 35 -2,-0.8 4,-0.0 106,-0.0 -1,-0.0 -0.784 23.2-142.3-120.3 91.7 143.1 59.0 16.5 70 70 A P - 0 0 10 0, 0.0 3,-0.2 0, 0.0 101,-0.0 -0.079 9.9-165.8 -45.1 141.7 146.1 58.4 14.2 71 71 A E S S+ 0 0 174 1,-0.3 2,-0.3 0, 0.0 0, 0.0 0.544 89.6 34.6-108.2 -7.6 148.2 55.4 15.3 72 72 A K S S- 0 0 173 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.897 92.7-139.3-141.9 98.0 151.0 56.6 13.0 73 73 A W - 0 0 42 -2,-0.3 2,-0.4 -3,-0.2 -4,-0.0 -0.425 15.9-154.0 -68.3 136.7 151.2 60.4 12.8 74 74 A Q - 0 0 86 -2,-0.1 -25,-1.8 -25,-0.1 2,-0.3 -0.928 6.4-162.5-115.5 138.9 151.8 62.0 9.5 75 75 A L E -G 48 0B 43 -2,-0.4 -27,-0.2 -27,-0.2 -29,-0.0 -0.775 4.9-155.8-113.9 159.8 153.4 65.4 8.6 76 76 A Q E -G 47 0B 75 -29,-3.6 -29,-1.2 -2,-0.3 42,-0.0 -0.997 29.9-101.8-134.7 139.0 153.2 67.4 5.4 77 77 A P E -G 46 0B 39 0, 0.0 -31,-0.3 0, 0.0 5,-0.1 -0.264 44.5-116.2 -54.2 129.0 155.5 70.1 3.9 78 78 A R > - 0 0 76 -33,-4.4 3,-1.0 3,-0.1 7,-0.2 -0.671 27.1-130.9 -72.9 125.5 153.8 73.4 4.6 79 79 A P G > S+ 0 0 89 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.838 97.0 49.9 -52.9 -45.7 153.0 74.6 1.1 80 80 A S G 3 S+ 0 0 76 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.730 117.6 38.7 -71.6 -23.4 154.3 78.2 1.3 81 81 A V G <> S+ 0 0 8 -3,-1.0 4,-1.7 -36,-0.2 -1,-0.2 -0.009 77.7 114.6-116.5 33.8 157.8 77.3 2.7 82 82 A T H <> S+ 0 0 55 -3,-1.1 4,-1.7 1,-0.2 -1,-0.1 0.837 73.4 59.0 -72.0 -28.9 158.4 74.1 0.7 83 83 A K H > S+ 0 0 135 -4,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.952 105.3 49.5 -62.9 -46.6 161.3 75.7 -1.1 84 84 A Q H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.890 104.5 57.3 -64.7 -34.8 163.0 76.3 2.3 85 85 A L H X S+ 0 0 5 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.924 106.9 51.1 -57.6 -44.1 162.4 72.7 3.4 86 86 A N H X S+ 0 0 84 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.823 103.2 57.0 -66.6 -30.4 164.4 71.7 0.2 87 87 A V H X S+ 0 0 21 -4,-1.4 4,-2.5 -3,-0.2 5,-0.2 0.978 110.8 44.3 -61.0 -53.1 167.3 74.0 1.0 88 88 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.911 111.9 53.7 -56.1 -45.5 167.7 72.2 4.4 89 89 A K H X S+ 0 0 96 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.944 109.9 48.1 -51.3 -54.0 167.3 68.8 2.6 90 90 A R H >X S+ 0 0 133 -4,-2.5 4,-1.2 1,-0.2 3,-0.7 0.951 116.1 41.5 -53.5 -57.6 170.1 69.7 0.2 91 91 A F H 3X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.729 102.2 70.9 -68.7 -23.6 172.5 70.9 2.9 92 92 A L H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.861 108.1 34.4 -62.7 -37.8 171.7 68.0 5.2 93 93 A H H << S+ 0 0 132 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.730 114.6 58.2 -93.2 -13.8 173.4 65.4 3.0 94 94 A E H < S+ 0 0 99 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.831 99.5 80.0 -74.4 -33.3 176.1 67.9 1.9 95 95 A A < - 0 0 6 -4,-1.9 -93,-0.2 -5,-0.1 3,-0.1 -0.330 57.3-165.8 -76.3 157.1 177.0 68.3 5.6 96 96 A S S S+ 0 0 83 -95,-2.5 2,-0.4 1,-0.4 -94,-0.2 0.795 82.1 29.4-105.7 -44.6 179.1 66.2 7.9 97 97 A E E S-b 2 0A 96 -96,-1.6 -94,-2.2 2,-0.0 2,-0.4 -0.977 73.1-153.9-122.1 131.0 178.2 67.6 11.3 98 98 A I E -b 3 0A 4 -2,-0.4 32,-2.2 27,-0.3 2,-0.5 -0.871 1.5-158.4-109.3 142.5 174.8 69.2 12.1 99 99 A V E -be 4 130A 1 -96,-3.2 -94,-2.0 -2,-0.4 2,-0.7 -0.942 12.3-144.0-119.5 114.4 174.1 71.8 14.7 100 100 A H E +be 5 131A 0 30,-3.9 32,-2.6 -2,-0.5 -94,-0.1 -0.627 26.4 170.6 -75.6 111.8 170.5 72.2 16.0 101 101 A A E +b 6 0A 1 -96,-2.0 -94,-1.1 -2,-0.7 -1,-0.1 -0.259 22.0 136.7-121.2 48.4 170.2 76.0 16.6 102 102 A G - 0 0 2 -96,-0.3 32,-0.3 1,-0.2 7,-0.1 -0.344 68.5 -62.8 -83.4 172.3 166.4 76.4 17.3 103 103 A D - 0 0 24 1,-0.1 2,-0.8 30,-0.1 -1,-0.2 -0.057 55.9-105.7 -51.4 160.0 165.1 78.6 20.1 104 104 A P S S+ 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.025 93.0 65.7 -87.6 39.9 166.2 77.5 23.6 105 105 A D S > S- 0 0 1 -2,-0.8 4,-0.7 270,-0.1 221,-0.1 -0.512 100.1 -81.0-138.2-163.3 162.8 76.1 24.6 106 106 A R H > S+ 0 0 15 2,-0.2 4,-2.7 -2,-0.2 3,-0.5 0.955 123.1 53.1 -72.9 -53.4 160.4 73.2 23.7 107 107 A E H > S+ 0 0 47 1,-0.3 4,-2.8 2,-0.2 3,-0.2 0.942 113.6 42.2 -45.6 -54.6 158.8 74.9 20.7 108 108 A G H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.752 109.5 59.4 -70.2 -23.3 162.2 75.6 19.1 109 109 A Q H X S+ 0 0 1 -4,-0.7 4,-1.5 -3,-0.5 -1,-0.2 0.943 111.5 41.3 -68.2 -45.1 163.4 72.2 20.1 110 110 A L H X S+ 0 0 17 -4,-2.7 4,-2.5 -3,-0.2 5,-0.4 0.915 103.8 68.1 -67.1 -46.5 160.6 70.8 18.0 111 111 A L H X S+ 0 0 8 -4,-2.8 4,-1.1 1,-0.3 -66,-0.2 0.890 114.1 26.0 -42.1 -65.1 161.0 73.3 15.1 112 112 A V H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -1,-0.3 0.871 118.9 61.0 -68.3 -38.1 164.4 71.9 13.9 113 113 A D H X S+ 0 0 29 -4,-1.5 4,-2.2 -5,-0.3 5,-0.2 0.971 101.6 49.7 -58.1 -54.9 163.8 68.4 15.3 114 114 A E H X S+ 0 0 20 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.881 109.5 52.2 -54.2 -39.8 160.7 67.6 13.2 115 115 A V H X S+ 0 0 0 -4,-1.1 4,-2.9 -5,-0.4 -1,-0.2 0.954 111.0 48.8 -56.0 -50.3 162.4 68.7 10.0 116 116 A L H <>S+ 0 0 8 -4,-2.1 5,-1.5 1,-0.2 -2,-0.2 0.836 114.1 45.2 -59.3 -36.6 165.3 66.4 10.9 117 117 A D H ><5S+ 0 0 117 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.896 115.3 46.5 -76.2 -40.1 163.0 63.5 11.6 118 118 A Y H 3<5S+ 0 0 90 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.881 110.0 53.1 -69.9 -34.9 160.9 64.0 8.4 119 119 A L T 3<5S- 0 0 30 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.426 109.9-128.7 -80.7 3.6 164.0 64.4 6.2 120 120 A Q T < 5 - 0 0 163 -3,-0.8 2,-0.2 -5,-0.2 -3,-0.2 0.898 24.1-159.3 49.3 62.5 165.2 61.1 7.6 121 121 A L < - 0 0 12 -5,-1.5 -1,-0.2 1,-0.1 5,-0.1 -0.476 31.5-101.3 -65.5 126.1 168.7 61.8 8.7 122 122 A A >> - 0 0 37 -2,-0.2 4,-1.7 1,-0.1 3,-1.4 -0.170 27.8-116.3 -48.0 145.8 170.7 58.5 9.0 123 123 A P H >> S+ 0 0 99 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.892 114.8 58.8 -50.3 -47.9 171.0 57.2 12.5 124 124 A E H 34 S+ 0 0 160 1,-0.3 3,-0.2 2,-0.2 4,-0.1 0.804 113.0 38.2 -51.2 -40.1 174.8 57.6 12.4 125 125 A K H <4 S+ 0 0 27 -3,-1.4 3,-0.3 1,-0.2 -27,-0.3 0.662 108.1 66.4 -85.4 -17.7 174.4 61.4 11.7 126 126 A R H << S+ 0 0 134 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.606 100.3 46.5 -82.1 -15.6 171.5 61.8 14.1 127 127 A Q S < S+ 0 0 102 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.1 0.439 109.3 55.6-105.1 -4.5 173.4 61.0 17.3 128 128 A Q S S+ 0 0 127 -3,-0.3 -30,-0.2 -5,-0.2 -2,-0.2 0.294 80.7 115.9-104.3 1.6 176.2 63.3 16.4 129 129 A V - 0 0 5 -32,-0.1 23,-1.9 -30,-0.1 24,-0.4 -0.518 55.8-149.4 -75.4 138.1 173.8 66.2 15.9 130 130 A Q E -eF 99 151A 57 -32,-2.2 -30,-3.9 21,-0.2 2,-0.5 -0.805 7.9-123.7-116.6 160.6 174.5 69.0 18.4 131 131 A R E -eF 100 150A 1 19,-4.1 19,-2.0 -2,-0.3 2,-0.5 -0.852 16.4-172.4-107.9 134.1 172.6 71.7 20.3 132 132 A C - 0 0 0 -32,-2.6 2,-0.7 -2,-0.5 17,-0.1 -0.987 8.0-165.3-122.5 115.4 173.5 75.4 20.2 133 133 A L - 0 0 30 -2,-0.5 2,-0.5 15,-0.4 -30,-0.1 -0.912 4.9-174.3-106.0 106.7 171.5 77.5 22.7 134 134 A I + 0 0 7 -2,-0.7 3,-0.1 -32,-0.3 8,-0.1 -0.897 18.4 157.9 -99.4 129.0 171.6 81.2 22.0 135 135 A N + 0 0 24 -2,-0.5 188,-2.2 1,-0.3 2,-0.4 0.494 68.9 46.5-119.0 -18.0 169.9 83.3 24.7 136 136 A D - 0 0 36 186,-0.2 -1,-0.3 2,-0.1 9,-0.1 -0.993 64.6-155.6-127.5 135.8 171.7 86.6 24.0 137 137 A L + 0 0 6 -2,-0.4 183,-0.1 184,-0.3 -1,-0.1 0.488 57.2 113.8 -97.3 0.3 172.3 88.1 20.5 138 138 A N S > S- 0 0 12 181,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.373 79.2-115.3 -63.9 143.8 175.4 90.2 21.2 139 139 A P H > S+ 0 0 46 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.866 112.7 54.9 -49.2 -44.3 178.3 88.7 19.3 140 140 A Q H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.943 109.2 48.6 -56.1 -50.1 180.3 87.7 22.4 141 141 A A H > S+ 0 0 11 -3,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.899 111.2 49.3 -62.5 -39.9 177.4 85.7 23.7 142 142 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.929 110.2 52.0 -66.6 -41.9 176.9 84.0 20.3 143 143 A E H X S+ 0 0 106 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.969 112.6 45.0 -56.3 -53.5 180.6 83.2 20.2 144 144 A R H >X S+ 0 0 132 -4,-2.8 4,-1.2 1,-0.2 3,-1.2 0.974 110.3 55.6 -53.9 -55.7 180.3 81.6 23.7 145 145 A A H >< S+ 0 0 11 -4,-3.4 3,-0.7 1,-0.3 -12,-0.3 0.871 106.0 50.6 -45.2 -49.1 177.2 79.8 22.6 146 146 A I H 3< S+ 0 0 18 -4,-2.7 -1,-0.3 1,-0.2 3,-0.3 0.842 105.6 57.8 -63.1 -30.4 179.0 78.1 19.7 147 147 A D H << S+ 0 0 139 -4,-1.5 2,-0.7 -3,-1.2 -1,-0.2 0.762 103.5 52.2 -71.6 -29.8 181.8 77.0 22.0 148 148 A R S << S+ 0 0 136 -4,-1.2 2,-0.6 -3,-0.7 -15,-0.4 -0.730 72.9 174.5-110.0 79.7 179.6 75.0 24.3 149 149 A L - 0 0 40 -2,-0.7 -17,-0.2 -3,-0.3 2,-0.1 -0.772 16.0-153.7 -89.5 123.5 177.6 72.7 22.0 150 150 A R E -F 131 0A 83 -19,-2.0 -19,-4.1 -2,-0.6 2,-0.2 -0.446 28.4 -94.9 -88.8 160.7 175.4 70.3 23.9 151 151 A S E -F 130 0A 50 -21,-0.2 3,-0.5 1,-0.1 -21,-0.2 -0.609 26.0-134.9 -71.4 145.5 174.3 66.9 22.5 152 152 A N S > S+ 0 0 12 -23,-1.9 3,-3.3 -2,-0.2 4,-0.3 0.973 98.9 73.1 -67.7 -41.3 170.9 67.1 20.9 153 153 A S G > S+ 0 0 59 -24,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.756 85.2 65.2 -37.7 -40.7 169.9 63.8 22.7 154 154 A E G 3 S+ 0 0 111 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.594 96.1 57.8 -58.7 -16.7 169.7 65.6 26.1 155 155 A F G X> + 0 0 2 -3,-3.3 4,-1.4 -4,-0.1 3,-1.2 0.444 67.9 113.1-103.7 7.6 166.7 67.7 24.9 156 156 A V H <> S+ 0 0 73 -3,-1.4 4,-2.0 -4,-0.3 3,-0.4 0.852 71.9 56.9 -41.7 -61.7 164.3 64.9 23.9 157 157 A P H 3> S+ 0 0 29 0, 0.0 4,-3.2 0, 0.0 -1,-0.3 0.833 104.4 53.9 -44.2 -41.7 161.7 65.7 26.7 158 158 A L H <> S+ 0 0 20 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.970 112.2 44.5 -54.7 -54.4 161.4 69.2 25.4 159 159 A C H >X S+ 0 0 24 -4,-1.4 4,-3.0 -3,-0.4 3,-0.6 0.986 116.5 45.0 -53.9 -64.5 160.6 67.8 21.9 160 160 A V H 3X S+ 0 0 39 -4,-2.0 4,-2.8 1,-0.3 5,-0.2 0.844 111.1 53.4 -49.5 -44.0 158.2 65.2 23.2 161 161 A S H 3X S+ 0 0 0 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.3 0.939 114.7 41.6 -56.1 -48.1 156.4 67.6 25.5 162 162 A A H X S+ 0 0 21 -4,-2.3 4,-2.8 -5,-0.3 3,-1.1 0.997 115.1 50.9 -63.4 -60.5 133.1 67.9 14.1 179 179 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 5,-0.2 0.871 115.6 39.7 -39.8 -59.1 131.3 66.4 17.1 180 180 A Y H 3X S+ 0 0 11 -4,-2.8 4,-1.6 2,-0.2 -1,-0.3 0.711 116.5 50.8 -71.4 -21.7 129.7 69.7 18.2 181 181 A T H << S+ 0 0 24 -4,-1.4 -2,-0.2 -3,-1.1 -3,-0.2 0.965 113.0 44.1 -79.6 -54.6 128.8 70.8 14.6 182 182 A I H < S+ 0 0 63 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.953 121.7 39.9 -49.1 -63.2 127.2 67.5 13.6 183 183 A L H < 0 0 67 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.849 360.0 360.0 -58.1 -41.6 125.3 67.3 16.9 184 184 A G < 0 0 93 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.856 360.0 360.0 -72.9 360.0 124.4 71.1 17.1 185 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 186 191 A G 0 0 122 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.9 127.5 76.3 9.8 187 192 A V - 0 0 94 -3,-0.0 2,-0.8 2,-0.0 -9,-0.1 -0.955 360.0-152.9-115.1 128.8 130.5 75.2 11.9 188 193 A L - 0 0 39 -2,-0.5 2,-0.7 -11,-0.4 -7,-0.1 -0.829 25.9-155.0 -92.8 103.4 130.7 75.5 15.7 189 194 A S + 0 0 63 -2,-0.8 2,-0.3 -9,-0.1 -12,-0.1 -0.802 17.4 175.9 -99.7 120.4 134.5 75.9 16.2 190 195 A V - 0 0 6 -2,-0.7 2,-0.3 -17,-0.3 -13,-0.2 -0.794 9.3-166.0-113.1 152.7 136.2 74.9 19.5 191 196 A G > - 0 0 8 -2,-0.3 4,-1.8 1,-0.1 -21,-0.1 -0.973 29.9-117.5-134.1 147.5 139.9 74.9 20.4 192 197 A R T 4 S+ 0 0 6 -2,-0.3 374,-0.2 -23,-0.2 -1,-0.1 0.827 108.3 18.9 -51.4 -50.5 141.5 73.2 23.4 193 198 A V T > S+ 0 0 10 2,-0.1 4,-1.9 3,-0.1 -1,-0.2 0.794 123.6 54.0 -99.1 -31.4 142.9 76.3 25.2 194 199 A Q H > S+ 0 0 44 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.764 100.5 59.0 -76.9 -25.8 140.9 79.1 23.6 195 200 A T H X S+ 0 0 5 -4,-1.8 4,-2.9 2,-0.2 -1,-0.1 0.999 112.4 39.7 -66.3 -56.1 137.4 77.7 24.4 196 201 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.868 113.6 55.3 -59.2 -36.1 138.1 77.7 28.2 197 202 A V H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.966 110.2 46.0 -60.1 -47.8 139.9 81.1 27.9 198 203 A L H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.915 108.2 58.6 -59.5 -43.1 136.7 82.5 26.2 199 204 A G H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-1.0 0.955 97.4 60.0 -46.5 -57.9 134.7 80.8 29.0 200 205 A L H 3X S+ 0 0 11 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.845 108.6 43.7 -38.0 -55.0 136.6 82.7 31.7 201 206 A V H 3X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.3 344,-0.4 0.797 113.4 50.8 -66.1 -32.6 135.4 86.0 30.2 202 207 A V H < S+ 0 0 32 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.862 110.8 53.1 -57.4 -40.3 128.6 90.7 37.1 209 214 A E H 3< S+ 0 0 147 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.4 46.1 -66.7 -36.7 125.1 90.8 35.5 210 215 A N T 3< S+ 0 0 124 -4,-2.1 2,-0.5 -3,-0.3 -1,-0.2 0.374 86.3 120.3 -87.9 7.5 123.5 88.6 38.2 211 216 A F < - 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0 0 58 -3,-1.2 2,-0.3 -21,-0.1 -19,-0.2 -0.460 47.6-176.0 -59.8 132.7 150.3 100.7 53.7 455 460 A D B -P 434 0C 119 -21,-2.6 -21,-1.8 1,-0.1 -2,-0.0 -0.903 38.2 -0.9-144.4 108.6 146.9 100.2 55.4 456 461 A G S S- 0 0 51 -2,-0.3 -1,-0.1 -23,-0.2 -23,-0.1 -0.068 82.7 -69.2 100.9 159.0 145.5 102.4 58.2 457 462 A T - 0 0 114 -25,-0.2 -225,-0.1 1,-0.1 -22,-0.0 -0.567 64.0 -91.7 -85.5 145.7 146.7 105.4 60.3 458 463 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.262 42.6-129.9 -60.4 148.1 149.5 104.7 62.7 459 464 A L - 0 0 34 -26,-0.1 -228,-0.1 1,-0.1 3,-0.0 -0.696 12.9-113.3-105.6 155.2 148.7 103.7 66.3 460 465 A P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.329 41.0 -95.5 -76.4 160.4 149.9 105.0 69.7 461 466 A V + 0 0 115 -187,-0.0 2,-0.3 -2,-0.0 -187,-0.0 -0.703 58.9 161.9 -85.2 121.9 152.0 102.9 72.0 462 467 A V - 0 0 7 -2,-0.5 2,-0.3 -3,-0.0 -3,-0.0 -0.901 24.4-143.7-134.3 156.8 149.5 101.3 74.4 463 468 A A > - 0 0 50 -2,-0.3 3,-2.4 -190,-0.0 -192,-0.2 -0.961 35.6 -79.4-133.3 154.3 149.9 98.2 76.7 464 469 A K T 3 S+ 0 0 165 -2,-0.3 -192,-0.2 1,-0.3 -190,-0.0 -0.234 116.9 23.3 -50.1 125.0 147.6 95.4 77.7 465 470 A G T 3 S+ 0 0 45 -194,-1.9 -1,-0.3 1,-0.3 -193,-0.1 0.103 81.2 140.9 108.6 -22.4 145.3 96.7 80.5 466 471 A D < - 0 0 66 -3,-2.4 -195,-2.5 -196,-0.1 2,-0.8 -0.225 51.1-132.1 -59.0 142.0 145.4 100.4 79.8 467 472 A E E + M 0 270C 132 -197,-0.2 2,-0.2 -199,-0.1 -197,-0.2 -0.884 35.7 175.0 -96.2 102.8 142.0 102.1 80.3 468 473 A L E - M 0 269C 4 -199,-4.1 -199,-3.7 -2,-0.8 2,-0.5 -0.612 27.6-110.9 -98.0 176.0 141.6 104.2 77.1 469 474 A L E -HM 224 268C 76 -245,-2.7 -245,-1.5 -201,-0.3 2,-1.0 -0.923 6.5-146.0-120.5 122.6 138.5 106.2 76.3 470 475 A C E -H 223 0C 0 -203,-2.1 -204,-0.7 -2,-0.5 -247,-0.3 -0.606 16.8-169.5 -75.5 106.9 135.9 105.6 73.5 471 476 A E E - 0 0 72 -249,-2.6 2,-0.2 -2,-1.0 -1,-0.2 0.757 60.8 -41.0 -70.1 -30.0 135.0 109.2 72.6 472 477 A K E -H 222 0C 107 -250,-0.8 -250,-2.6 -207,-0.1 -1,-0.3 -0.715 55.7-121.6 168.0 152.2 132.0 108.2 70.4 473 478 A G E -H 221 0C 11 -212,-0.5 2,-0.3 -252,-0.2 -252,-0.2 -0.580 18.8-158.1-107.8 165.3 131.0 105.6 67.8 474 479 A E E -H 220 0C 78 -254,-1.5 -254,-2.3 -2,-0.2 2,-0.5 -0.999 17.7-127.0-145.2 146.2 129.8 105.9 64.2 475 480 A V E -H 219 0C 32 -2,-0.3 2,-0.6 -256,-0.2 -256,-0.2 -0.791 23.1-155.6 -92.9 125.0 127.9 103.8 61.8 476 481 A V E -H 218 0C 33 -258,-3.2 -258,-2.0 -2,-0.5 2,-0.5 -0.939 5.6-148.9-102.8 120.1 129.7 103.4 58.5 477 482 A E E +H 217 0C 129 -2,-0.6 2,-0.4 -260,-0.2 -260,-0.2 -0.787 22.5 176.5 -88.4 126.3 127.4 102.6 55.5 478 483 A R E -H 216 0C 123 -262,-2.6 -262,-3.2 -2,-0.5 2,-0.4 -0.978 18.6-150.8-130.0 146.2 129.1 100.5 52.9 479 484 A Q E -H 215 0C 103 -2,-0.4 -264,-0.2 -264,-0.2 -266,-0.1 -0.954 24.3-119.0-114.3 131.7 127.8 98.9 49.7 480 485 A T - 0 0 8 -266,-3.0 -267,-0.0 -2,-0.4 -264,-0.0 -0.304 28.4-133.6 -67.8 158.4 129.2 95.7 48.3 481 486 A Q - 0 0 136 -268,-0.1 3,-0.1 -269,-0.0 -269,-0.1 -0.882 8.8-122.0-116.8 143.8 130.8 95.7 44.8 482 487 A P - 0 0 47 0, 0.0 -274,-0.1 0, 0.0 -273,-0.0 -0.478 45.7 -87.1 -73.2 155.8 130.3 93.5 41.8 483 488 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 -272,-0.1 -0.070 50.2-105.0 -55.5 161.1 133.4 91.7 40.4 484 489 A R - 0 0 187 -3,-0.1 2,-0.1 1,-0.0 3,-0.1 -0.718 29.2-108.6 -94.5 145.3 135.4 93.7 37.8 485 490 A H - 0 0 53 -2,-0.3 59,-0.1 1,-0.1 5,-0.1 -0.491 55.0 -89.9 -63.0 139.2 135.3 92.9 34.1 486 491 A F - 0 0 2 57,-0.3 57,-2.8 56,-0.1 2,-0.3 -0.108 41.6-157.2 -53.3 151.0 138.7 91.3 33.2 487 492 A T B > -R 542 0E 7 55,-0.3 4,-2.9 -3,-0.1 5,-0.4 -0.807 38.5 -95.1-115.3 169.7 141.5 93.6 32.1 488 493 A D H > S+ 0 0 15 53,-0.7 4,-1.8 -2,-0.3 5,-0.2 0.916 127.9 47.4 -47.9 -53.9 144.5 92.6 30.0 489 494 A A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.970 115.3 41.9 -48.7 -63.6 146.4 92.1 33.3 490 495 A T H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.842 112.0 52.4 -63.3 -39.1 143.7 90.1 35.1 491 496 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.948 112.5 46.8 -61.3 -46.2 142.7 87.8 32.3 492 497 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 -5,-0.4 -2,-0.2 0.940 111.3 50.4 -65.5 -41.5 146.3 86.9 31.7 493 498 A S H X S+ 0 0 46 -4,-2.7 4,-2.7 1,-0.2 3,-0.4 0.957 107.7 55.3 -57.3 -47.1 146.9 86.3 35.5 494 499 A A H < S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 111.2 44.4 -51.7 -41.2 143.7 84.1 35.3 495 500 A M H < S+ 0 0 1 -4,-1.9 22,-3.3 -3,-0.2 3,-0.4 0.788 112.8 50.6 -72.7 -32.5 145.4 82.0 32.6 496 501 A T H < S+ 0 0 30 -4,-2.1 2,-0.5 -3,-0.4 -2,-0.2 0.832 122.9 29.6 -76.0 -33.4 148.8 81.8 34.3 497 502 A G S < S+ 0 0 16 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.3 -0.813 72.9 164.2-124.1 86.6 147.3 80.6 37.6 498 503 A I >> + 0 0 0 17,-1.9 3,-3.5 -2,-0.5 4,-0.7 0.887 52.8 86.7 -74.9 -37.0 144.2 78.7 36.6 499 504 A A G >4 S+ 0 0 15 16,-0.6 3,-1.2 13,-0.3 -1,-0.2 0.753 81.5 60.8 -31.8 -45.5 143.6 76.8 39.9 500 505 A R G 34 S+ 0 0 202 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.748 111.2 41.3 -57.0 -27.4 141.6 79.6 41.5 501 506 A F G <4 S+ 0 0 54 -3,-3.5 -1,-0.3 -7,-0.2 -2,-0.2 0.498 87.8 115.6-100.6 -9.3 139.0 79.3 38.6 502 507 A V << - 0 0 3 -3,-1.2 6,-0.0 -4,-0.7 60,-0.0 -0.422 56.9-148.9 -65.7 137.9 139.0 75.5 38.5 503 508 A Q S S+ 0 0 112 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 0.868 72.3 75.4 -78.6 -41.4 135.6 74.0 39.4 504 509 A D > - 0 0 57 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.642 65.5-150.7 -79.7 134.5 136.7 70.6 41.0 505 510 A K H > S+ 0 0 169 -2,-0.5 4,-1.1 1,-0.2 -1,-0.1 0.830 97.6 54.3 -69.6 -33.3 138.1 70.7 44.5 506 511 A D H >> S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.968 111.6 43.1 -63.3 -51.4 140.3 67.6 43.8 507 512 A L H 3> S+ 0 0 24 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.921 110.9 56.4 -61.6 -41.8 141.9 69.2 40.7 508 513 A K H 3< S+ 0 0 88 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.749 107.9 49.5 -60.0 -30.3 142.3 72.5 42.5 509 514 A K H << S+ 0 0 172 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.925 115.2 39.6 -75.6 -48.9 144.3 70.7 45.3 510 515 A I H < S+ 0 0 125 -4,-1.9 2,-0.3 -5,-0.1 -2,-0.2 0.748 95.1 93.8 -77.0 -25.2 146.7 68.8 43.1 511 516 A L S < S- 0 0 13 -4,-2.3 57,-0.1 -5,-0.2 56,-0.0 -0.556 77.4-129.2 -69.3 128.9 147.3 71.6 40.6 512 517 A R > - 0 0 186 -2,-0.3 3,-0.8 1,-0.1 -13,-0.3 -0.150 22.5-104.3 -73.7 174.6 150.3 73.7 41.6 513 518 A A T 3 S+ 0 0 87 1,-0.2 -13,-0.1 -15,-0.1 -1,-0.1 0.715 118.6 47.0 -74.7 -24.2 150.2 77.5 41.9 514 519 A T T 3 S+ 0 0 127 -17,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.277 83.7 119.4-102.5 7.2 152.0 78.2 38.6 515 520 A D < + 0 0 24 -3,-0.8 -17,-1.9 -18,-0.0 -16,-0.6 -0.587 41.8 154.7 -70.3 129.8 149.9 75.8 36.6 516 521 A G - 0 0 9 -2,-0.3 -20,-0.2 -19,-0.2 -21,-0.1 -0.798 48.6 -98.5-146.8-169.3 148.0 77.5 33.9 517 522 A L S S+ 0 0 0 -22,-3.3 -21,-0.1 -2,-0.2 -1,-0.1 0.910 89.5 38.9 -88.2 -54.0 146.2 77.5 30.6 518 523 A G S S- 0 0 4 -23,-0.4 2,-0.3 -325,-0.0 -2,-0.1 0.426 77.0-115.0 -74.4-136.6 148.5 78.9 27.8 519 524 A T > - 0 0 8 1,-0.2 4,-1.9 0, 0.0 3,-0.5 -0.928 37.5 -92.8-157.5 150.0 152.1 78.4 27.1 520 525 A E T 4 S+ 0 0 15 -2,-0.3 4,-0.4 1,-0.3 3,-0.2 0.878 125.5 34.1 -27.4 -71.3 154.9 81.0 27.2 521 526 A A T > S+ 0 0 22 -196,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.770 119.9 48.2 -62.0 -35.9 154.6 81.6 23.5 522 527 A T H > S+ 0 0 53 -3,-0.5 4,-2.8 2,-0.1 5,-0.2 0.734 81.6 80.8 -93.6 -22.9 150.9 81.2 23.0 523 528 A R H X S+ 0 0 22 -4,-1.9 4,-2.5 -3,-0.2 5,-0.2 0.927 97.8 47.4 -49.6 -52.3 148.8 83.1 25.6 524 529 A A H > S+ 0 0 1 -4,-0.4 4,-2.5 2,-0.2 -219,-0.2 0.962 113.4 51.2 -50.3 -55.8 149.2 86.5 23.8 525 530 A G H X S+ 0 0 31 -4,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.937 107.8 50.7 -46.7 -60.6 148.2 84.6 20.6 526 531 A I H X S+ 0 0 20 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.863 111.1 48.6 -50.1 -43.8 145.1 83.0 22.2 527 532 A I H X S+ 0 0 8 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.960 113.3 48.3 -60.7 -47.3 143.8 86.4 23.5 528 533 A E H X S+ 0 0 74 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.906 107.7 53.8 -58.2 -47.3 144.4 88.0 20.1 529 534 A L H X S+ 0 0 43 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.947 105.5 52.8 -54.6 -52.6 142.6 85.2 18.1 530 535 A L H <>S+ 0 0 2 -4,-1.8 5,-1.8 1,-0.2 6,-0.9 0.858 112.3 46.0 -54.7 -37.6 139.4 85.5 20.3 531 536 A F H ><5S+ 0 0 60 -4,-1.5 3,-1.0 4,-0.2 -1,-0.2 0.878 112.0 51.7 -68.8 -39.8 139.3 89.3 19.5 532 537 A K H 3<5S+ 0 0 168 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.958 108.6 50.7 -65.1 -41.2 140.0 88.6 15.8 533 538 A R T 3<5S- 0 0 126 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.392 119.0-109.2 -77.8 0.1 137.1 86.1 15.6 534 539 A G T < 5S+ 0 0 35 -3,-1.0 15,-0.4 -5,-0.2 14,-0.3 0.438 87.4 113.4 87.9 3.6 134.7 88.6 17.2 535 540 A F S S-S 542 0E 138 3,-2.8 3,-3.0 -2,-0.5 2,-0.1 -0.989 71.5 -52.5-122.3 104.0 135.7 98.8 26.6 540 545 A G T 3 S- 0 0 77 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.304 123.4 -20.7 62.2-120.5 138.2 101.2 28.1 541 546 A R T 3 S+ 0 0 112 -2,-0.1 -53,-0.7 -3,-0.1 2,-0.4 0.273 120.5 103.3 -97.5 7.1 140.8 99.1 29.9 542 547 A Y E < -RS 487 539E 74 -3,-3.0 -3,-2.8 -55,-0.2 2,-0.5 -0.792 64.0-140.4-107.7 133.2 138.3 96.2 30.1 543 548 A I E - S 0 538E 0 -57,-2.8 2,-0.4 -2,-0.4 -57,-0.3 -0.723 27.8-171.9 -86.6 127.4 138.0 92.9 28.1 544 549 A H E - S 0 537E 26 -7,-3.1 -7,-2.2 -2,-0.5 2,-0.1 -0.981 23.9-125.6-126.6 135.9 134.4 92.0 27.4 545 550 A S E - S 0 536E 7 -344,-0.4 -9,-0.2 -2,-0.4 2,-0.2 -0.450 33.1-139.9 -75.1 143.1 132.7 89.0 25.9 546 551 A T > - 0 0 30 -11,-1.8 4,-3.8 -2,-0.1 5,-0.3 -0.539 26.6 -96.8 -97.0 171.4 130.5 89.9 22.9 547 552 A D H > S+ 0 0 141 1,-0.2 4,-3.6 2,-0.2 5,-0.1 0.920 127.2 46.7 -53.9 -48.5 127.0 88.6 21.9 548 553 A A H > S+ 0 0 53 -14,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.903 114.1 47.6 -57.3 -45.7 128.6 86.1 19.5 549 554 A G H > S+ 0 0 0 -15,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.956 114.2 46.9 -62.0 -48.2 131.2 85.0 22.1 550 555 A K H X S+ 0 0 39 -4,-3.8 4,-2.4 1,-0.2 -2,-0.2 0.960 113.6 49.9 -57.2 -49.6 128.3 84.7 24.7 551 556 A A H X S+ 0 0 54 -4,-3.6 4,-1.8 -5,-0.3 -2,-0.2 0.945 109.9 48.1 -53.5 -54.1 126.3 82.7 22.1 552 557 A L H >X S+ 0 0 20 -4,-3.2 4,-0.7 2,-0.2 3,-0.6 0.953 110.8 53.5 -56.1 -48.1 129.2 80.3 21.2 553 558 A F H >< S+ 0 0 9 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.946 109.5 46.8 -43.1 -61.7 129.7 79.7 24.9 554 559 A H H 3< S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.740 104.4 62.0 -64.7 -17.0 126.1 78.8 25.4 555 560 A S H << S+ 0 0 70 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.619 100.5 68.4 -75.2 -19.5 126.1 76.5 22.4 556 561 A L S << S- 0 0 12 -3,-2.1 2,-0.1 -4,-0.7 5,-0.0 -0.808 89.4-105.9-105.1 154.4 128.7 74.4 24.1 557 562 A P >> - 0 0 26 0, 0.0 3,-1.9 0, 0.0 4,-1.2 -0.327 31.4-107.9 -71.4 158.0 128.5 72.2 27.2 558 563 A E H >> S+ 0 0 108 1,-0.3 3,-1.4 2,-0.2 4,-1.2 0.924 116.6 62.6 -48.7 -52.8 129.9 73.0 30.6 559 564 A M H 34 S+ 0 0 61 1,-0.3 6,-0.3 2,-0.2 -1,-0.3 0.676 108.1 40.5 -44.2 -32.7 132.6 70.4 30.2 560 565 A A H <4 S+ 0 0 6 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.645 116.3 47.9 -96.3 -19.1 134.1 72.2 27.2 561 566 A T H << S+ 0 0 3 -3,-1.4 -2,-0.2 -4,-1.2 -3,-0.1 0.367 95.6 82.3-103.0 -0.7 133.8 75.8 28.4 562 567 A R S >< S- 0 0 48 -4,-1.2 3,-0.6 -5,-0.2 4,-0.4 -0.842 78.7-127.9-102.8 149.7 135.3 75.3 31.9 563 568 A P T 3> S+ 0 0 3 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.699 87.2 89.7 -68.0 -22.3 139.1 75.3 32.6 564 569 A D H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.848 86.2 47.7 -43.9 -55.2 139.2 72.0 34.5 565 570 A M H <> S+ 0 0 44 -3,-0.6 4,-2.1 -6,-0.3 -1,-0.2 0.961 121.6 33.9 -55.6 -57.7 139.7 69.7 31.5 566 571 A T H > S+ 0 0 5 -4,-0.4 4,-2.7 2,-0.2 5,-0.3 0.852 111.8 62.2 -69.4 -34.1 142.5 71.7 30.0 567 572 A A H X S+ 0 0 1 -4,-3.6 4,-1.5 1,-0.2 -1,-0.2 0.937 108.4 44.9 -55.4 -48.8 144.0 72.8 33.3 568 573 A H H X S+ 0 0 83 -4,-2.1 4,-1.6 -5,-0.3 3,-0.4 0.974 112.8 50.5 -55.1 -60.1 144.6 69.2 34.0 569 574 A W H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.930 107.2 52.1 -48.4 -56.1 146.0 68.5 30.6 570 575 A E H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.845 105.0 56.6 -50.6 -41.4 148.5 71.4 30.6 571 576 A S H >X S+ 0 0 19 -4,-1.5 4,-2.1 -3,-0.4 3,-0.8 0.988 110.7 43.9 -53.7 -57.8 150.0 70.3 34.0 572 577 A V H 3X S+ 0 0 16 -4,-1.6 4,-1.3 1,-0.3 -2,-0.2 0.874 109.7 57.0 -54.6 -41.0 150.7 66.8 32.5 573 578 A L H 3X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -1,-0.3 0.877 108.0 46.9 -61.4 -34.7 152.1 68.5 29.3 574 579 A T H S+ 0 0 63 -4,-2.1 5,-2.2 -5,-0.2 3,-0.3 0.729 95.6 61.9 -66.4 -24.7 155.4 67.1 33.3 576 581 A I H ><5S+ 0 0 7 -4,-1.3 3,-1.1 -3,-0.2 5,-0.3 0.949 106.4 46.1 -65.0 -46.7 156.5 65.5 30.0 577 582 A S H 3<5S+ 0 0 22 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.509 110.1 51.4 -75.5 -9.0 159.3 68.1 29.6 578 583 A E T 3<5S- 0 0 98 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.304 116.1-114.2-103.9 1.6 160.5 67.8 33.3 579 584 A K T < 5S+ 0 0 168 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.675 85.4 116.6 75.4 24.3 160.7 64.0 32.8 580 585 A Q S > - 0 0 182 -2,-0.2 3,-0.8 1,-0.1 4,-0.5 -0.747 30.2-105.3-107.0 160.1 155.8 59.8 29.5 583 588 A Y H >> S+ 0 0 39 -2,-0.3 4,-2.9 1,-0.2 3,-2.1 0.903 117.3 49.5 -41.6 -60.0 154.0 60.4 26.2 584 589 A Q H 3> S+ 0 0 95 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.815 104.1 60.5 -57.4 -29.7 151.7 57.3 26.5 585 590 A D H <4 S+ 0 0 97 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.535 115.8 33.5 -76.1 -7.9 150.6 58.2 30.0 586 591 A F H S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.815 110.1 57.6 -60.5 -33.7 143.8 59.4 28.8 590 595 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.975 111.1 43.8 -59.9 -52.8 143.4 62.5 26.5 591 596 A V H >X S+ 0 0 25 -4,-2.0 4,-1.6 1,-0.2 3,-1.1 0.973 109.9 57.4 -51.7 -57.1 141.9 60.2 23.8 592 597 A G H 3X S+ 0 0 33 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.842 104.5 51.5 -41.7 -46.6 139.9 58.5 26.6 593 598 A T H 3X S+ 0 0 22 -4,-2.3 4,-4.2 2,-0.2 -1,-0.3 0.887 101.4 61.8 -60.9 -40.1 138.4 61.9 27.5 594 599 A L H