==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-OCT-12 4HDT . COMPND 2 MOLECULE: 3-HYDROXYISOBUTYRYL-COA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM THERMORESISTIBILE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 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 . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 2 2 2 1 1 3 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A N 0 0 156 0, 0.0 2,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 139.1 22.8 42.4 51.6 2 6 A E - 0 0 137 1,-0.1 3,-0.1 4,-0.0 0, 0.0 -0.880 360.0-157.4 -91.4 110.5 22.1 38.8 52.5 3 7 A D S S+ 0 0 55 -2,-0.8 15,-3.1 1,-0.2 2,-0.4 0.655 84.6 36.0 -71.2 -15.8 18.9 38.1 50.4 4 8 A V E S-A 17 0A 7 13,-0.2 2,-0.4 14,-0.1 13,-0.2 -0.963 82.1-147.0-129.5 121.9 18.0 35.2 52.7 5 9 A L E -A 16 0A 78 11,-2.9 11,-2.7 -2,-0.4 2,-0.4 -0.736 19.8-165.5 -85.1 131.3 18.9 35.6 56.4 6 10 A V E +A 15 0A 63 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.964 20.3 139.5-124.0 133.9 19.8 32.3 58.1 7 11 A N E -A 14 0A 94 7,-1.6 7,-3.3 -2,-0.4 2,-0.4 -0.966 37.9-133.0-157.2 166.1 20.0 31.3 61.7 8 12 A V E +A 13 0A 55 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.999 31.7 164.8-124.9 127.3 19.2 28.5 64.1 9 13 A E E > -A 12 0A 102 3,-2.4 3,-2.1 -2,-0.4 -2,-0.1 -0.986 64.5 -3.6-145.7 131.3 17.6 29.4 67.4 10 14 A G T 3 S- 0 0 61 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.811 129.3 -56.7 58.8 30.6 15.8 27.2 69.9 11 15 A G T 3 S+ 0 0 22 1,-0.2 37,-3.1 36,-0.1 38,-1.2 0.506 113.3 122.5 78.3 5.9 16.3 24.2 67.6 12 16 A V E < -Ab 9 49A 6 -3,-2.1 -3,-2.4 35,-0.2 2,-0.6 -0.890 59.4-139.2-107.2 122.8 14.5 26.0 64.8 13 17 A G E -Ab 8 50A 0 36,-3.0 38,-2.9 -2,-0.5 2,-0.5 -0.730 25.2-152.5 -74.6 118.3 16.1 26.6 61.4 14 18 A L E -Ab 7 51A 22 -7,-3.3 -7,-1.6 -2,-0.6 2,-0.5 -0.834 17.8-178.0-104.1 124.7 15.1 30.2 60.5 15 19 A L E -Ab 6 52A 0 36,-2.6 38,-2.3 -2,-0.5 2,-0.6 -0.978 6.5-176.0-118.2 115.1 14.9 31.3 56.8 16 20 A T E -Ab 5 53A 32 -11,-2.7 -11,-2.9 -2,-0.5 38,-0.2 -0.931 22.5-137.3-117.6 112.3 14.0 34.9 56.5 17 21 A L E -Ab 4 54A 0 36,-2.7 38,-2.6 -2,-0.6 -13,-0.2 -0.468 24.8-167.6 -64.3 134.7 13.5 36.2 52.9 18 22 A N + 0 0 20 -15,-3.1 -14,-0.1 36,-0.2 -1,-0.1 -0.373 52.4 96.9-141.0 60.3 15.2 39.6 52.8 19 23 A R > > + 0 0 52 36,-0.1 5,-2.8 1,-0.1 3,-1.7 -0.557 40.9 162.7-128.7 65.0 14.6 41.8 49.9 20 24 A P G > 5 + 0 0 56 0, 0.0 3,-1.7 0, 0.0 38,-0.1 0.809 68.1 62.1 -63.8 -27.9 11.9 43.9 51.5 21 25 A K G 3 5S+ 0 0 213 1,-0.3 35,-0.0 2,-0.1 -2,-0.0 0.785 112.5 40.4 -65.0 -21.4 12.0 46.8 49.0 22 26 A A G X 5S- 0 0 41 -3,-1.7 3,-1.3 3,-0.1 40,-0.3 0.026 123.0-106.4-105.5 16.8 10.9 44.1 46.4 23 27 A I T < 5S- 0 0 21 -3,-1.7 39,-2.2 1,-0.3 40,-0.3 0.893 72.1 -65.0 49.6 44.1 8.4 42.5 48.8 24 28 A N T 3 - 0 0 30 -2,-0.3 4,-2.1 37,-0.2 5,-0.2 -0.620 40.4-106.2-101.6 170.8 16.1 35.3 43.0 28 32 A H H > S+ 0 0 37 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.914 122.0 56.3 -65.1 -39.8 17.9 32.2 41.9 29 33 A G H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 105.2 49.8 -56.8 -40.9 20.3 32.8 44.7 30 34 A M H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 109.9 51.4 -66.1 -45.1 17.6 32.8 47.4 31 35 A V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 111.3 47.2 -54.6 -47.9 16.1 29.6 46.0 32 36 A T H X S+ 0 0 59 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.890 110.2 52.6 -68.9 -34.4 19.6 27.9 46.2 33 37 A T H X S+ 0 0 54 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.949 111.8 46.0 -59.8 -49.5 20.2 29.2 49.7 34 38 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.940 114.0 48.9 -58.5 -47.7 16.9 27.8 51.0 35 39 A A H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.896 111.2 48.3 -61.9 -44.5 17.5 24.5 49.2 36 40 A E H X S+ 0 0 102 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.891 112.7 48.2 -66.3 -41.4 21.0 24.0 50.6 37 41 A R H X S+ 0 0 73 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.910 109.8 51.8 -65.1 -42.1 19.9 24.8 54.2 38 42 A L H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.920 112.8 46.9 -59.3 -41.8 16.9 22.5 54.0 39 43 A A H X S+ 0 0 55 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.919 113.8 47.0 -63.7 -45.2 19.4 19.8 52.8 40 44 A A H < S+ 0 0 41 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.874 116.3 43.8 -65.0 -35.9 21.9 20.5 55.5 41 45 A W H >< S+ 0 0 7 -4,-2.7 3,-1.3 1,-0.2 6,-0.2 0.650 90.4 87.1 -83.1 -17.3 19.4 20.6 58.3 42 46 A E H 3< S+ 0 0 26 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.866 103.6 24.5 -55.8 -44.7 17.4 17.5 57.3 43 47 A N T 3< S+ 0 0 143 -4,-0.5 2,-0.8 -3,-0.3 -1,-0.3 0.119 95.2 111.8-108.2 18.7 19.6 15.0 59.2 44 48 A D X - 0 0 63 -3,-1.3 3,-2.1 1,-0.1 -4,-0.0 -0.847 54.6-157.3 -96.1 110.0 21.0 17.4 61.8 45 49 A D T 3 S+ 0 0 158 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.0 0.640 88.2 67.9 -62.5 -16.5 19.5 16.5 65.2 46 50 A S T 3 S+ 0 0 76 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.572 92.2 69.7 -78.2 -10.3 20.1 20.0 66.6 47 51 A V < + 0 0 2 -3,-2.1 -35,-0.2 -6,-0.2 -3,-0.1 -0.954 52.9 169.3-115.6 114.9 17.3 21.3 64.2 48 52 A R + 0 0 68 -37,-3.1 2,-0.3 -2,-0.6 -36,-0.2 0.597 66.2 0.2 -98.9 -20.2 13.8 20.2 65.1 49 53 A A E -b 12 0A 8 -38,-1.2 -36,-3.0 50,-0.2 2,-0.4 -0.975 62.3-126.3-163.9 164.7 11.8 22.4 62.7 50 54 A V E -bc 13 101A 0 50,-2.5 52,-2.9 -2,-0.3 2,-0.4 -0.967 16.3-162.3-122.5 143.9 12.2 25.1 60.0 51 55 A L E -bc 14 102A 3 -38,-2.9 -36,-2.6 -2,-0.4 2,-0.5 -0.988 2.9-161.7-132.0 122.4 10.4 28.5 60.0 52 56 A L E +bc 15 103A 0 50,-3.0 52,-2.2 -2,-0.4 2,-0.3 -0.906 22.4 154.6-105.0 124.4 10.0 30.6 56.9 53 57 A T E -b 16 0A 24 -38,-2.3 -36,-2.7 -2,-0.5 2,-0.3 -0.853 32.6-126.4-136.0 171.8 9.3 34.3 57.3 54 58 A G E -b 17 0A 22 -2,-0.3 -36,-0.2 -38,-0.2 7,-0.1 -0.954 24.4-114.6-121.3 146.9 9.8 37.5 55.2 55 59 A A S S+ 0 0 19 -38,-2.6 4,-0.3 -2,-0.3 3,-0.2 -0.356 76.8 23.5 -74.9 160.5 11.4 40.7 56.2 56 60 A G S S- 0 0 55 1,-0.2 -2,-0.1 2,-0.1 -35,-0.0 -0.384 90.8 -82.9 81.4-161.8 9.4 43.9 56.4 57 61 A E S S+ 0 0 138 -2,-0.1 -1,-0.2 -37,-0.1 3,-0.1 0.497 103.3 72.0-124.7 -14.5 5.7 44.4 56.9 58 62 A R S S- 0 0 162 1,-0.3 50,-2.6 -3,-0.2 2,-0.2 0.626 104.0 -42.4 -93.8 -15.5 3.9 44.1 53.5 59 63 A G B -H 107 0C 6 48,-0.3 -1,-0.3 -4,-0.3 48,-0.3 -0.753 42.8-102.1 162.9 155.5 4.2 40.3 52.8 60 64 A L S S- 0 0 2 46,-2.3 2,-0.2 1,-0.2 -5,-0.2 0.935 101.0 -22.5 -56.2 -49.5 6.1 37.1 52.9 61 65 A C B -i 109 0D 0 47,-1.7 49,-2.3 45,-0.3 52,-0.2 -0.758 42.9-156.5-174.8 118.8 6.8 37.1 49.1 62 66 A A - 0 0 32 -39,-2.2 2,-0.3 -40,-0.3 47,-0.1 0.555 66.9 -78.8 -78.1 -11.0 5.2 38.8 46.1 63 67 A G - 0 0 8 -40,-0.3 -37,-2.7 48,-0.2 -1,-0.2 -0.935 64.7 -38.0 147.7-177.1 6.6 36.2 43.6 64 68 A G B S-g 26 0B 21 -2,-0.3 2,-0.8 -39,-0.3 -37,-0.2 -0.551 78.1 -85.8 -69.8 157.5 9.7 35.2 41.7 65 69 A D > - 0 0 37 -39,-2.8 4,-1.0 -2,-0.2 3,-0.3 -0.563 45.0-167.5 -68.0 106.1 11.8 38.1 40.3 66 70 A V H > S+ 0 0 60 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.760 78.2 65.5 -72.0 -27.9 9.9 38.8 37.0 67 71 A V H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 102.2 49.5 -58.8 -43.2 12.6 41.1 35.6 68 72 A A H > S+ 0 0 41 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.875 110.2 49.0 -68.0 -36.8 15.1 38.2 35.4 69 73 A I H X S+ 0 0 21 -4,-1.0 4,-2.8 2,-0.2 5,-0.2 0.915 111.2 52.5 -66.9 -40.3 12.6 35.9 33.7 70 74 A Y H X S+ 0 0 34 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.958 109.4 46.9 -61.5 -51.0 11.9 38.7 31.2 71 75 A H H X S+ 0 0 113 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.883 114.5 48.5 -60.5 -36.5 15.6 39.2 30.4 72 76 A S H <>S+ 0 0 11 -4,-2.0 5,-2.2 2,-0.2 3,-0.3 0.906 107.7 53.1 -69.0 -42.3 16.0 35.4 30.0 73 77 A A H <5S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 108.2 51.5 -62.2 -33.2 13.0 34.9 27.7 74 78 A K H <5S+ 0 0 120 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.775 118.7 41.2 -73.3 -25.1 14.3 37.7 25.4 75 79 A A T <5S- 0 0 73 -4,-1.0 -3,-0.1 -3,-0.3 -4,-0.0 0.323 128.4 -58.2 -92.1-134.2 17.7 35.8 25.4 76 80 A D T 5 - 0 0 120 1,-0.0 -3,-0.2 -2,-0.0 -4,-0.1 0.334 64.7-116.1-103.3 11.1 17.9 32.0 25.1 77 81 A G S > S+ 0 0 48 -6,-0.2 4,-2.3 1,-0.2 5,-0.2 0.919 72.2 42.5 -60.7 -46.5 18.8 29.4 30.0 79 83 A E H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.892 113.3 53.1 -67.6 -40.8 18.5 31.2 33.4 80 84 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 111.7 45.6 -58.8 -49.0 14.8 30.9 33.5 81 85 A R H X S+ 0 0 90 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 115.0 46.5 -62.1 -40.7 15.0 27.1 32.9 82 86 A R H X S+ 0 0 123 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.917 112.3 51.3 -68.3 -40.6 17.7 26.7 35.5 83 87 A F H X S+ 0 0 12 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.950 113.2 44.5 -56.8 -51.9 15.9 28.8 38.0 84 88 A W H X S+ 0 0 5 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.874 110.0 56.1 -64.3 -39.6 12.7 26.8 37.5 85 89 A F H X S+ 0 0 22 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.961 115.7 36.7 -55.2 -52.0 14.6 23.5 37.7 86 90 A D H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.883 118.0 51.8 -69.1 -38.5 16.1 24.5 41.1 87 91 A E H X S+ 0 0 3 -4,-3.1 4,-2.7 -5,-0.2 -2,-0.2 0.934 110.0 46.8 -67.0 -44.2 12.9 26.2 42.3 88 92 A Y H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.873 110.5 53.2 -70.7 -35.4 10.6 23.3 41.5 89 93 A R H X S+ 0 0 70 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.917 110.3 48.2 -60.6 -39.3 13.0 20.9 43.2 90 94 A L H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.923 109.0 53.3 -63.6 -46.7 12.9 23.1 46.3 91 95 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.933 111.6 46.4 -54.1 -47.5 9.0 23.2 46.1 92 96 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.901 109.9 53.4 -62.4 -43.0 8.9 19.4 46.1 93 97 A H H X S+ 0 0 19 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.931 107.9 49.1 -62.6 -41.5 11.4 19.1 48.9 94 98 A I H >< S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.932 109.7 54.5 -58.6 -44.3 9.4 21.4 51.1 95 99 A G H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 117.8 33.7 -56.8 -40.0 6.4 19.2 50.2 96 100 A R H 3< S+ 0 0 97 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.429 84.7 140.2 -84.5 -14.1 8.2 16.0 51.3 97 101 A Y << - 0 0 10 -4,-1.0 4,-0.1 -3,-0.7 -3,-0.1 -0.091 44.7-150.6 -53.6 131.4 10.1 17.5 54.2 98 102 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.845 74.8 64.3 -73.2 -25.9 10.3 15.1 57.2 99 103 A K S S- 0 0 36 1,-0.1 -50,-0.2 -50,-0.0 22,-0.1 -0.535 103.5 -80.1 -95.9 156.0 10.6 17.9 59.9 100 104 A P - 0 0 52 0, 0.0 -50,-2.5 0, 0.0 2,-0.5 -0.308 44.0-165.6 -51.7 134.8 7.9 20.5 60.7 101 105 A Y E -c 50 0A 0 -52,-0.2 21,-2.2 -4,-0.1 20,-1.3 -0.969 3.5-165.2-131.0 109.5 8.1 23.4 58.2 102 106 A V E -cd 51 122A 0 -52,-2.9 -50,-3.0 -2,-0.5 2,-0.5 -0.828 2.4-166.1-101.6 123.7 6.2 26.4 59.4 103 107 A S E -cd 52 123A 0 19,-2.3 21,-2.8 -2,-0.5 2,-0.9 -0.949 14.2-150.4-117.0 134.0 5.5 29.1 56.9 104 108 A I E - d 0 124A 6 -52,-2.2 2,-1.8 -2,-0.5 -50,-0.2 -0.781 15.7-177.9-101.8 87.3 4.3 32.6 57.8 105 109 A M E + d 0 125A 0 19,-2.7 21,-0.6 -2,-0.9 2,-0.2 -0.436 23.8 156.2 -90.4 66.9 2.2 33.6 54.8 106 110 A D - 0 0 17 -2,-1.8 -46,-2.3 19,-0.2 -45,-0.3 -0.518 51.6 -16.6 -90.1 148.6 1.4 37.1 56.1 107 111 A G B S+H 59 0C 5 -48,-0.3 23,-2.6 -2,-0.2 2,-0.3 -0.098 123.0 15.7 59.4-142.8 0.5 39.9 53.8 108 112 A I E + j 0 130D 40 -50,-2.6 -47,-1.7 21,-0.2 2,-0.4 -0.488 65.9 165.2 -69.3 123.3 1.2 39.7 50.1 109 113 A V E +ij 61 131D 0 21,-2.3 23,-1.7 -2,-0.3 2,-0.3 -0.898 14.7 154.5-141.2 101.9 1.9 36.1 49.1 110 114 A M E > - j 0 132D 52 -49,-2.3 3,-2.5 -2,-0.4 23,-0.2 -0.982 51.1 -30.8-139.7 145.2 1.8 35.4 45.3 111 115 A G T >> S+ 0 0 5 21,-1.8 4,-1.9 -2,-0.3 3,-1.1 -0.198 134.6 19.0 55.5-119.0 3.2 33.1 42.7 112 116 A G H 3> S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.789 122.7 62.3 -53.8 -24.6 6.6 32.0 43.9 113 117 A G H <> S+ 0 0 0 -3,-2.5 4,-1.7 -52,-0.2 5,-0.2 0.895 102.6 50.0 -67.3 -38.2 5.7 33.0 47.4 114 118 A V H <> S+ 0 0 0 -3,-1.1 4,-2.8 18,-0.2 5,-0.3 0.917 106.9 57.9 -59.3 -42.2 2.9 30.4 47.3 115 119 A G H < S+ 0 0 0 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.862 111.9 37.7 -59.5 -38.3 5.6 28.0 46.2 116 120 A V H < S+ 0 0 0 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.745 128.9 32.3 -85.4 -21.6 7.8 28.5 49.2 117 121 A G H >< S+ 0 0 0 -4,-1.7 3,-1.3 -5,-0.2 -3,-0.2 0.853 109.0 56.4 -98.2 -40.2 5.0 28.8 51.7 118 122 A A T 3< S+ 0 0 0 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.468 98.5 59.0 -90.0 -3.4 2.0 26.6 50.7 119 123 A H T 3 S+ 0 0 15 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.335 85.9 106.8 -96.2 2.6 3.7 23.2 50.5 120 124 A G S < S- 0 0 8 -3,-1.3 3,-0.2 1,-0.1 -18,-0.1 -0.132 73.2-129.0 -68.5 175.0 4.7 23.4 54.1 121 125 A N S S+ 0 0 72 -20,-1.3 2,-0.3 1,-0.2 -19,-0.2 0.535 101.3 43.5-109.9 -8.6 3.1 21.4 56.9 122 126 A V E S+d 102 0A 14 -21,-2.2 -19,-2.3 2,-0.0 2,-0.6 -0.747 78.4 180.0-131.6 86.9 2.4 24.2 59.3 123 127 A R E -d 103 0A 32 -2,-0.3 58,-2.4 -3,-0.2 57,-2.3 -0.786 5.4-168.0-102.4 115.2 1.0 26.9 57.1 124 128 A V E +de 104 181A 0 -21,-2.8 -19,-2.7 -2,-0.6 2,-0.3 -0.876 7.5 179.0-109.9 129.0 -0.0 30.1 58.8 125 129 A V E -de 105 182A 0 56,-2.8 58,-2.4 -2,-0.4 2,-0.2 -0.803 10.4-156.5-119.3 167.5 -2.0 33.0 57.3 126 130 A T > - 0 0 0 -21,-0.6 3,-0.9 -2,-0.3 44,-0.5 -0.704 38.5 -86.0-133.0-175.4 -3.2 36.2 58.9 127 131 A D T 3 S+ 0 0 93 56,-0.3 -21,-0.1 1,-0.2 55,-0.0 0.486 125.6 49.7 -75.6 -5.9 -5.8 38.9 58.7 128 132 A T T 3 S+ 0 0 43 41,-0.0 -1,-0.2 2,-0.0 -22,-0.1 0.388 78.7 132.0-107.0 -5.5 -3.6 40.8 56.1 129 133 A T < + 0 0 6 -3,-0.9 41,-0.5 -21,-0.1 2,-0.4 -0.295 29.8 179.9 -52.6 127.2 -2.9 37.8 53.9 130 134 A K E -j 108 0D 123 -23,-2.6 -21,-2.3 39,-0.2 2,-0.4 -0.904 15.1-179.4-128.2 97.8 -3.5 38.6 50.2 131 135 A M E +jK 109 168D 0 37,-2.9 37,-2.7 -2,-0.4 2,-0.3 -0.798 7.1 154.7-107.5 141.5 -2.7 35.4 48.3 132 136 A A E -j 110 0D 0 -23,-1.7 -21,-1.8 -2,-0.4 -18,-0.2 -0.995 44.6-145.4-159.7 156.3 -2.9 34.8 44.6 133 137 A M + 0 0 0 28,-0.3 3,-0.4 -2,-0.3 32,-0.1 -0.843 35.9 164.7-117.2 85.6 -1.7 32.9 41.6 134 138 A P > + 0 0 42 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.236 27.9 122.9 -93.8 18.1 -1.8 35.8 39.1 135 139 A E G > > + 0 0 10 1,-0.3 5,-2.3 2,-0.2 3,-2.3 0.778 63.0 64.1 -54.4 -40.0 0.3 34.3 36.3 136 140 A V G > 5S+ 0 0 0 -3,-0.4 122,-2.0 26,-0.4 3,-1.0 0.760 91.6 67.6 -62.7 -20.0 -2.3 34.6 33.5 137 141 A G G < 5S+ 0 0 19 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.611 107.0 38.6 -71.4 -15.4 -2.0 38.4 33.9 138 142 A I G < 5S- 0 0 37 -3,-2.3 164,-0.5 -4,-0.2 163,-0.3 0.063 124.6 -97.4-118.0 20.7 1.5 38.2 32.5 139 143 A G T < 5S+ 0 0 0 -3,-1.0 -3,-0.2 1,-0.3 159,-0.2 0.736 90.1 114.5 73.8 22.6 0.9 35.5 29.9 140 144 A F < - 0 0 16 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.557 61.9-122.3-119.5 176.0 2.2 32.8 32.2 141 145 A I - 0 0 3 -2,-0.2 6,-0.1 -3,-0.1 121,-0.1 -0.973 40.1 -89.4-125.0 138.8 0.6 29.7 33.9 142 146 A P + 0 0 1 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.210 60.1 161.7 -50.2 127.9 0.5 29.0 37.7 143 147 A D > + 0 0 8 3,-0.1 3,-2.9 1,-0.1 5,-0.1 -0.234 36.2 83.3-124.5-150.1 3.6 27.0 38.6 144 148 A V T 3 S- 0 0 1 1,-0.3 -1,-0.1 2,-0.1 138,-0.1 0.724 128.1 -54.9 49.1 34.5 5.6 26.2 41.7 145 149 A G T 3> S+ 0 0 0 136,-0.1 4,-1.7 -3,-0.1 -1,-0.3 0.528 106.3 129.9 77.5 11.0 3.2 23.3 42.4 146 150 A G H <> + 0 0 0 -3,-2.9 4,-3.4 1,-0.2 5,-0.2 0.815 67.6 56.9 -63.7 -31.9 0.3 25.7 42.3 147 151 A T H > S+ 0 0 1 2,-0.2 4,-2.1 -5,-0.2 -1,-0.2 0.857 104.6 53.1 -71.6 -32.3 -1.6 23.4 39.9 148 152 A Y H > S+ 0 0 59 -3,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.935 116.0 39.8 -60.7 -47.4 -1.3 20.6 42.5 149 153 A L H >< S+ 0 0 12 -4,-1.7 3,-1.0 2,-0.2 4,-0.5 0.948 115.8 50.1 -69.3 -42.9 -2.9 23.0 45.1 150 154 A L H >< S+ 0 0 3 -4,-3.4 3,-1.2 1,-0.3 8,-0.3 0.897 107.7 53.2 -63.6 -41.9 -5.4 24.6 42.8 151 155 A S H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.692 108.6 52.2 -68.5 -16.7 -6.7 21.2 41.5 152 156 A R T << S+ 0 0 110 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.395 83.9 109.7 -97.9 -3.7 -7.3 20.1 45.2 153 157 A A S < S- 0 0 10 -3,-1.2 23,-0.1 -4,-0.5 5,-0.1 -0.343 83.4 -84.5 -70.0 156.1 -9.3 23.1 46.3 154 158 A P S > S- 0 0 39 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.299 86.7 -29.0 -60.9 143.8 -13.1 22.5 46.9 155 159 A G T 3 S- 0 0 37 1,-0.3 3,-0.2 2,-0.1 4,-0.1 -0.230 120.5 -35.5 60.1-135.8 -15.4 22.6 44.0 156 160 A K T 3> S+ 0 0 79 64,-0.2 4,-2.1 1,-0.1 3,-0.3 0.087 103.0 115.3-106.5 17.2 -14.2 24.8 41.2 157 161 A L H <> S+ 0 0 1 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 0.864 74.1 56.3 -54.8 -36.9 -12.7 27.4 43.6 158 162 A G H > S+ 0 0 2 -4,-0.4 4,-2.5 -8,-0.3 -1,-0.2 0.892 105.9 48.8 -62.7 -41.7 -9.2 26.5 42.2 159 163 A L H > S+ 0 0 11 -3,-0.3 4,-2.8 2,-0.2 5,-0.4 0.905 110.0 52.8 -64.7 -41.6 -10.2 27.3 38.6 160 164 A H H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 5,-0.5 0.953 111.9 44.2 -55.7 -53.4 -11.7 30.6 39.7 161 165 A A H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -28,-0.3 0.909 117.1 47.3 -57.5 -40.6 -8.5 31.6 41.5 162 166 A A H < S+ 0 0 0 -4,-2.5 -26,-0.4 2,-0.2 -2,-0.2 0.855 117.3 39.2 -73.5 -37.1 -6.4 30.4 38.5 163 167 A L H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.881 123.1 38.9 -85.7 -39.1 -8.4 32.1 35.7 164 168 A T H < S- 0 0 3 -4,-2.3 -2,-0.2 -5,-0.4 -3,-0.2 0.867 87.3-153.0 -70.6 -37.1 -9.1 35.3 37.4 165 169 A G < + 0 0 4 -4,-1.7 -3,-0.1 -5,-0.5 -4,-0.1 0.647 42.2 152.5 65.2 16.8 -5.7 35.5 39.0 166 170 A A - 0 0 23 -6,-0.4 -33,-0.3 -5,-0.2 -1,-0.2 -0.446 47.9-104.0 -79.5 148.7 -7.4 37.5 41.7 167 171 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.361 33.1-164.2 -68.3 151.8 -6.2 37.7 45.4 168 172 A F B -K 131 0D 10 -37,-2.7 -37,-2.9 -2,-0.1 2,-0.0 -0.876 19.1-106.2-133.2 161.7 -8.0 35.8 48.2 169 173 A S > - 0 0 38 -2,-0.3 4,-2.4 -39,-0.2 -39,-0.2 -0.225 31.9-100.2 -84.0 176.0 -7.8 36.1 52.0 170 174 A G H > S+ 0 0 2 -44,-0.5 4,-2.0 -41,-0.5 5,-0.2 0.915 125.3 49.5 -57.6 -44.7 -6.3 34.1 54.7 171 175 A A H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.1 49.8 -65.7 -39.5 -9.6 32.5 55.5 172 176 A D H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 107.2 55.6 -62.0 -44.5 -10.1 31.7 51.8 173 177 A A H X>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 6,-1.0 0.894 107.4 48.5 -58.9 -39.6 -6.6 30.2 51.7 174 178 A I H ><5S+ 0 0 42 -4,-2.0 3,-1.1 4,-0.2 -2,-0.2 0.937 111.3 50.5 -66.0 -44.5 -7.5 27.8 54.5 175 179 A V H 3<5S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 111.4 49.2 -58.5 -36.9 -10.8 26.9 52.7 176 180 A M H 3<5S- 0 0 2 -4,-2.4 -1,-0.2 -23,-0.1 -2,-0.2 0.556 117.0-110.7 -85.5 -3.2 -8.8 26.2 49.5 177 181 A G T <<5S+ 0 0 33 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.644 88.3 115.0 84.4 18.3 -6.2 24.0 51.2 178 182 A F S - 0 0 13 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.227 31.3-113.8 -55.9 146.3 -3.7 37.9 63.4 185 189 A H G > S+ 0 0 36 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.778 113.8 56.0 -52.4 -36.0 -0.8 40.0 62.0 186 190 A D G 3 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.154 107.7 50.7 -96.3 29.3 0.0 41.7 65.3 187 191 A K G <> S+ 0 0 16 -3,-1.4 4,-3.1 -4,-0.1 -1,-0.2 0.230 83.8 88.7-134.1 -0.0 0.5 38.3 67.0 188 192 A I H <> S+ 0 0 11 -3,-0.9 4,-3.3 -4,-0.4 5,-0.2 0.843 89.1 51.5 -64.5 -35.6 2.9 36.8 64.3 189 193 A D H > S+ 0 0 78 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.936 113.1 42.4 -68.2 -45.8 5.7 38.2 66.2 190 194 A E H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.895 117.2 50.5 -65.2 -39.0 4.5 36.6 69.5 191 195 A F H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.927 110.7 46.7 -64.6 -49.2 3.7 33.5 67.6 192 196 A T H X S+ 0 0 24 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.922 111.9 51.0 -59.4 -45.5 7.1 33.3 65.9 193 197 A R H X S+ 0 0 162 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.874 109.8 51.9 -58.1 -37.3 8.8 33.9 69.3 194 198 A A H X>S+ 0 0 7 -4,-2.0 4,-3.2 2,-0.2 5,-1.2 0.823 104.1 55.5 -71.3 -34.1 6.7 31.1 70.8 195 199 A V H X5S+ 0 0 3 -4,-2.0 4,-0.7 3,-0.2 -1,-0.2 0.935 113.3 43.3 -60.1 -43.6 7.7 28.6 68.1 196 200 A I H <5S+ 0 0 31 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.860 126.1 31.3 -70.7 -35.4 11.3 29.3 68.9 197 201 A A H <5S+ 0 0 74 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.886 137.6 13.8 -93.0 -42.9 10.8 29.2 72.7 198 202 A D H <5S- 0 0 114 -4,-3.2 4,-0.4 1,-0.2 -3,-0.2 0.512 105.3-109.5-116.9 -12.8 7.9 26.7 73.3 199 203 A G X< - 0 0 27 -5,-1.2 4,-2.5 -4,-0.7 5,-0.2 -0.118 37.5 -68.2 98.2 165.6 7.5 24.8 70.0 200 204 A V H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 126.5 47.7 -57.7 -52.3 4.9 24.7 67.3 201 205 A D H > S+ 0 0 133 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 115.0 46.0 -64.3 -41.5 2.0 23.0 69.1 202 206 A A H > S+ 0 0 47 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.896 112.7 51.0 -64.8 -41.9 2.4 25.4 72.1 203 207 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 5,-0.3 0.916 113.0 45.6 -62.8 -42.5 2.6 28.4 69.8 204 208 A L H X S+ 0 0 20 -4,-2.6 4,-2.3 2,-0.2 3,-0.4 0.939 110.5 51.9 -64.8 -47.8 -0.5 27.4 68.0 205 209 A A H < S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 116.9 41.8 -57.2 -36.1 -2.5 26.6 71.1 206 210 A A H < S+ 0 0 70 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.673 130.5 17.7 -84.2 -25.1 -1.6 30.1 72.4 207 211 A H H < S+ 0 0 49 -4,-1.5 -3,-0.2 -3,-0.4 -2,-0.2 0.587 92.2 99.4-129.3 -21.5 -2.0 32.3 69.3 208 212 A A < - 0 0 35 -4,-2.3 2,-0.3 -5,-0.3 -25,-0.2 -0.420 49.5-173.1 -70.1 150.1 -4.0 30.6 66.5 209 213 A Q B -F 182 0A 108 -27,-2.6 -27,-0.6 -2,-0.1 -2,-0.0 -0.900 35.8 -81.9-136.8 163.4 -7.7 31.6 66.2 210 214 A E - 0 0 88 -2,-0.3 -29,-0.0 -29,-0.1 0, 0.0 -0.542 56.0-118.4 -61.2 129.4 -10.8 30.6 64.3 211 215 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.364 27.6-109.3 -68.5 156.9 -10.6 32.3 60.9 212 216 A P - 0 0 75 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.180 56.8 -56.9 -73.5 173.3 -13.3 34.7 59.9 213 217 A A - 0 0 76 1,-0.1 -42,-0.2 2,-0.0 -41,-0.2 -0.250 52.8-129.3 -46.7 133.5 -15.8 34.0 57.3 214 218 A S > - 0 0 12 -43,-0.2 4,-1.6 1,-0.2 -1,-0.1 -0.829 12.5-162.3 -87.9 112.3 -14.4 33.1 53.9 215 219 A P H > S+ 0 0 69 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.888 92.6 57.2 -64.1 -31.5 -15.9 35.2 51.1 216 220 A L H >4 S+ 0 0 15 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.929 102.9 53.0 -63.0 -43.1 -14.7 32.7 48.6 217 221 A A H >4 S+ 0 0 44 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.886 106.3 54.0 -56.2 -40.3 -16.6 29.9 50.3 218 222 A E H 3< S+ 0 0 137 -4,-1.6 3,-0.4 1,-0.2 -1,-0.3 0.713 106.1 53.2 -66.8 -23.1 -19.8 32.0 50.1 219 223 A Q T + 0 0 105 -3,-1.3 4,-2.9 -4,-0.3 5,-0.3 0.804 69.2 63.7 -58.0 -32.3 -19.0 28.6 45.8 221 225 A S H > S+ 0 0 89 -3,-0.4 4,-1.7 -4,-0.2 -1,-0.2 0.954 112.2 32.9 -57.4 -52.5 -22.5 28.2 44.4 222 226 A W H > S+ 0 0 19 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.804 116.7 56.8 -80.1 -28.6 -22.0 30.4 41.3 223 227 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.973 111.1 43.0 -60.2 -52.3 -18.3 29.4 40.9 224 228 A D H < S+ 0 0 45 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.860 115.4 52.0 -64.1 -33.8 -19.3 25.7 40.7 225 229 A E H < S+ 0 0 107 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.878 119.9 31.2 -62.4 -44.6 -22.2 26.7 38.4 226 230 A C H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 12,-0.3 0.734 109.5 61.1 -97.3 -26.7 -20.1 28.7 36.0 227 231 A Y T 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.272 79.9 85.3 -91.8 13.8 -16.7 27.0 36.0 228 232 A T T 3 + 0 0 86 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.543 63.2 122.6 -86.5 -0.2 -17.9 23.6 34.7 229 233 A G < - 0 0 17 -3,-0.7 6,-0.1 1,-0.1 -3,-0.0 -0.139 69.2-126.9 -63.2 150.5 -17.7 24.7 31.1 230 234 A D S S+ 0 0 126 4,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.794 89.9 29.4 -68.3 -34.0 -15.5 22.8 28.6 231 235 A T S > S- 0 0 66 1,-0.1 4,-1.9 35,-0.0 5,-0.1 -0.853 82.8-112.2-126.1 163.9 -13.6 26.0 27.5 232 236 A V H > S+ 0 0 4 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.915 120.8 54.7 -61.5 -38.8 -12.6 29.3 28.9 233 237 A A H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 106.2 52.1 -61.9 -39.6 -15.0 31.0 26.5 234 238 A D H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 110.1 49.4 -58.5 -41.9 -17.8 28.7 27.9 235 239 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.943 110.0 48.7 -65.1 -48.1 -16.9 29.8 31.4 236 240 A I H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.928 111.2 51.8 -58.1 -46.8 -17.0 33.5 30.6 237 241 A A H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.896 111.1 47.3 -57.1 -41.8 -20.4 33.0 28.9 238 242 A A H X S+ 0 0 30 -4,-2.1 4,-2.1 -12,-0.3 -1,-0.2 0.905 109.8 51.6 -68.6 -42.9 -21.8 31.3 31.9 239 243 A L H X S+ 0 0 0 -4,-2.7 4,-0.7 -13,-0.2 5,-0.4 0.926 114.3 45.1 -59.9 -40.6 -20.5 33.9 34.3 240 244 A R H >< S+ 0 0 108 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.922 111.3 51.9 -70.0 -40.9 -22.1 36.6 32.2 241 245 A A H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.809 94.7 69.5 -65.3 -31.6 -25.3 34.7 31.8 242 246 A H H 3< S- 0 0 65 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.812 92.5-152.4 -59.5 -26.5 -25.6 34.3 35.6 243 247 A D << + 0 0 146 -3,-0.9 -3,-0.1 -4,-0.7 -2,-0.1 0.937 46.0 120.3 63.3 52.0 -26.3 38.0 35.6 244 248 A A S > S- 0 0 38 -5,-0.4 4,-2.4 1,-0.1 -1,-0.2 -0.976 70.2-110.7-145.9 155.0 -25.0 39.0 39.1 245 249 A P H > S+ 0 0 116 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.882 110.3 47.6 -61.0 -45.2 -22.3 41.4 40.2 246 250 A A H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.912 115.7 45.6 -65.4 -43.4 -19.6 39.0 41.6 247 251 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 112.8 51.4 -59.7 -43.2 -19.8 36.7 38.5 248 252 A G H X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.884 108.5 51.7 -62.5 -40.9 -19.7 39.7 36.2 249 253 A E H X S+ 0 0 58 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.872 109.3 50.0 -61.0 -42.4 -16.7 41.0 37.9 250 254 A A H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.933 111.3 48.7 -61.9 -48.2 -15.0 37.6 37.5 251 255 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.917 110.0 51.3 -56.7 -46.5 -15.8 37.6 33.8 252 256 A D H < S+ 0 0 92 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.871 112.0 47.2 -58.7 -39.9 -14.5 41.1 33.4 253 257 A L H >< S+ 0 0 59 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.933 111.5 49.5 -71.4 -44.0 -11.2 40.2 35.1 254 258 A I H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.878 102.8 62.5 -57.8 -40.2 -10.7 37.0 33.0 255 259 A A T 3< S+ 0 0 64 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.647 98.5 56.3 -68.4 -14.9 -11.4 38.9 29.9 256 260 A T T < S+ 0 0 76 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.529 92.9 93.7 -85.7 -7.1 -8.3 41.0 30.5 257 261 A R S < S- 0 0 48 -3,-2.1 -120,-0.2 -4,-0.3 -121,-0.1 -0.333 92.3 -80.3 -92.6 162.9 -6.0 38.0 30.8 258 262 A S > - 0 0 0 -122,-2.0 4,-2.9 1,-0.1 5,-0.2 -0.472 34.8-144.4 -60.0 123.3 -3.9 36.3 28.1 259 263 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.929 99.9 43.8 -55.9 -45.2 -6.1 34.0 25.9 260 264 A I H > S+ 0 0 9 54,-0.4 4,-2.6 2,-0.2 5,-0.3 0.943 114.9 49.1 -68.4 -40.8 -3.4 31.4 25.5 261 265 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 111.3 49.9 -63.7 -41.7 -2.3 31.5 29.1 262 266 A L H X S+ 0 0 3 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.924 112.7 47.8 -57.3 -47.1 -6.0 31.2 30.3 263 267 A S H X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.876 113.7 45.1 -66.2 -41.8 -6.5 28.2 27.9 264 268 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.875 111.5 54.7 -71.3 -36.2 -3.3 26.4 29.1 265 269 A T H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.931 107.3 49.2 -61.0 -47.2 -4.2 27.2 32.7 266 270 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.946 114.9 44.7 -57.7 -45.7 -7.6 25.5 32.4 267 271 A E H X S+ 0 0 60 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.887 111.7 53.7 -67.3 -37.8 -6.0 22.5 30.8 268 272 A S H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.915 109.6 46.1 -63.5 -44.8 -3.2 22.4 33.4 269 273 A V H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.930 113.4 49.8 -68.0 -41.2 -5.5 22.4 36.3 270 274 A R H < S+ 0 0 79 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.918 114.2 44.2 -62.8 -41.7 -7.7 19.7 34.8 271 275 A R H >< S+ 0 0 65 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.919 110.6 55.5 -68.1 -40.6 -4.7 17.5 34.0 272 276 A A H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.853 94.6 67.4 -60.1 -33.4 -3.2 18.1 37.5 273 277 A A T 3< S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.719 99.9 51.6 -61.6 -19.7 -6.4 16.9 39.1 274 278 A K T < S+ 0 0 179 -3,-1.8 2,-0.6 -4,-0.3 -1,-0.3 0.365 93.6 88.0 -96.8 1.0 -5.5 13.4 37.7 275 279 A L < - 0 0 42 -3,-2.1 6,-0.1 -4,-0.2 -1,-0.0 -0.913 52.3-170.9-106.3 124.2 -1.9 13.3 39.1 276 280 A Q + 0 0 89 -2,-0.6 2,-0.3 4,-0.0 -1,-0.1 0.788 64.8 77.5 -74.7 -30.4 -1.3 12.0 42.6 277 281 A S > - 0 0 32 1,-0.1 4,-1.7 2,-0.0 5,-0.1 -0.652 63.9-150.6 -97.6 133.7 2.3 13.1 42.9 278 282 A L H > S+ 0 0 15 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.911 104.4 52.3 -60.3 -43.0 3.6 16.7 43.6 279 283 A E H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 108.3 48.6 -59.9 -46.5 6.7 15.7 41.6 280 284 A D H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.882 111.8 50.7 -61.5 -35.8 4.7 14.5 38.6 281 285 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.922 108.8 50.2 -67.2 -46.1 2.7 17.7 38.7 282 286 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.831 105.0 58.9 -60.7 -34.3 5.8 19.9 38.8 283 287 A R H X S+ 0 0 90 -4,-1.9 4,-1.6 2,-0.2 53,-0.2 0.900 108.7 44.9 -61.3 -39.2 7.2 17.9 35.8 284 288 A Q H X S+ 0 0 28 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.924 111.8 51.8 -67.0 -46.7 4.1 19.0 33.8 285 289 A E H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.869 106.2 55.2 -59.9 -35.6 4.4 22.6 35.1 286 290 A Y H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.928 106.6 49.6 -67.0 -42.5 8.1 22.6 34.0 287 291 A R H X S+ 0 0 78 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.935 113.5 48.1 -56.8 -44.9 7.1 21.6 30.4 288 292 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.927 112.5 46.9 -64.2 -46.3 4.5 24.4 30.4 289 293 A S H X S+ 0 0 1 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.927 112.2 50.6 -61.8 -46.1 6.9 27.0 31.8 290 294 A C H < S+ 0 0 16 -4,-2.7 4,-0.4 1,-0.2 3,-0.4 0.898 111.2 48.6 -56.7 -45.3 9.6 26.0 29.3 291 295 A A H >< S+ 0 0 30 -4,-2.4 3,-1.8 37,-0.4 4,-0.3 0.909 104.6 59.7 -61.9 -41.2 7.0 26.3 26.4 292 296 A S H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 6,-0.4 0.792 91.8 68.8 -60.6 -28.7 5.9 29.8 27.7 293 297 A L T 3< S+ 0 0 16 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.773 99.3 49.8 -59.7 -27.6 9.5 31.1 27.2 294 298 A K T < S+ 0 0 97 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.471 95.8 105.6 -86.8 -3.5 9.0 30.8 23.5 295 299 A S <> - 0 0 20 -3,-1.6 4,-0.9 -4,-0.3 5,-0.1 -0.485 68.3-140.2 -85.2 150.0 5.7 32.6 23.6 296 300 A H H > S+ 0 0 96 17,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.895 101.4 57.0 -60.7 -45.0 4.8 36.2 22.6 297 301 A D H > S+ 0 0 1 16,-0.3 4,-2.9 1,-0.2 5,-0.3 0.809 97.0 58.1 -71.4 -30.2 2.5 36.6 25.6 298 302 A L H > S+ 0 0 1 -6,-0.4 4,-2.3 -159,-0.2 5,-0.3 0.968 114.1 39.4 -60.5 -47.0 5.1 35.9 28.3 299 303 A V H X S+ 0 0 38 -4,-0.9 4,-2.7 1,-0.2 -2,-0.2 0.941 119.5 46.0 -66.8 -46.8 7.3 38.7 27.1 300 304 A E H X S+ 0 0 30 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.899 113.3 51.2 -61.8 -45.4 4.4 41.1 26.3 301 305 A G H X S+ 0 0 1 -4,-2.9 4,-1.6 -163,-0.3 -162,-0.2 0.942 114.3 40.6 -60.6 -48.3 2.8 40.3 29.7 302 306 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 -164,-0.5 5,-0.2 0.913 113.4 55.8 -69.7 -40.7 5.8 41.0 31.8 303 307 A R H X S+ 0 0 84 -4,-2.7 4,-3.1 -5,-0.3 -2,-0.2 0.929 106.8 49.9 -52.4 -49.2 6.7 44.0 29.6 304 308 A A H < S+ 0 0 18 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.876 109.0 52.1 -61.2 -39.3 3.3 45.6 30.3 305 309 A Q H < S+ 0 0 71 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.919 116.9 39.4 -60.9 -44.8 3.6 45.0 34.0 306 310 A L H < 0 0 85 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.878 360.0 360.0 -73.0 -41.1 7.0 46.8 34.1 307 311 A V < 0 0 103 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.748 360.0 360.0-115.8 360.0 6.3 49.6 31.6 308 ! 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 0.0 309 316 A N 0 0 124 0, 0.0 2,-0.1 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0 60.6 -2.3 47.2 28.8 310 317 A P - 0 0 38 0, 0.0 2,-0.9 0, 0.0 -9,-0.1 -0.430 360.0-137.9 -66.2 143.0 -0.7 44.1 27.2 311 318 A K - 0 0 65 -2,-0.1 2,-0.1 -11,-0.1 -11,-0.1 -0.860 27.7-152.3-102.5 95.9 -1.6 43.4 23.5 312 319 A W - 0 0 32 -2,-0.9 -55,-0.0 3,-0.2 -15,-0.0 -0.407 4.1-130.5 -77.3 149.8 -2.1 39.7 23.6 313 320 A R S S+ 0 0 45 1,-0.3 -16,-0.3 -2,-0.1 -17,-0.2 -0.945 103.6 38.8-143.8 113.2 -1.4 37.4 20.6 314 321 A P S S- 0 0 34 0, 0.0 -54,-0.4 0, 0.0 -1,-0.3 0.442 90.1-162.0 -61.6 146.1 -3.6 35.5 19.9 315 322 A A + 0 0 64 -2,-0.1 2,-0.3 -56,-0.1 -3,-0.2 0.673 65.8 38.0 -82.5 -19.1 -5.9 38.4 20.9 316 323 A T S > S- 0 0 64 1,-0.1 3,-1.1 -58,-0.0 4,-0.2 -0.956 75.5-124.2-133.6 152.3 -9.1 36.3 21.4 317 324 A L G > S+ 0 0 39 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.822 109.2 66.8 -59.1 -33.5 -9.9 32.9 22.8 318 325 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.2 -85,-0.0 -3,-0.0 0.774 97.0 55.2 -61.7 -25.1 -11.6 32.0 19.5 319 326 A E G < S+ 0 0 105 -3,-1.1 2,-0.6 2,-0.1 -1,-0.3 0.433 84.5 99.7 -85.6 -5.0 -8.1 32.1 17.8 320 327 A V < - 0 0 24 -3,-1.8 2,-0.2 -4,-0.2 -3,-0.0 -0.784 61.0-160.5 -84.3 119.8 -6.7 29.6 20.3 321 328 A T > - 0 0 73 -2,-0.6 4,-1.6 1,-0.1 5,-0.2 -0.504 30.9-111.7 -93.9 168.1 -6.6 26.1 18.7 322 329 A E H > S+ 0 0 175 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.875 120.4 53.4 -66.6 -35.0 -6.3 22.8 20.5 323 330 A A H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.842 102.3 58.0 -66.7 -37.3 -2.8 22.3 19.0 324 331 A D H 4 S+ 0 0 67 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.917 112.5 40.6 -56.4 -46.1 -1.8 25.7 20.4 325 332 A V H >< S+ 0 0 19 -4,-1.6 3,-1.8 1,-0.2 4,-0.4 0.943 112.2 55.0 -67.0 -47.3 -2.7 24.5 23.9 326 333 A E H >< S+ 0 0 97 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.826 95.0 69.4 -58.4 -31.7 -1.2 21.1 23.4 327 334 A A G >< S+ 0 0 59 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.784 90.6 61.4 -57.8 -28.0 2.2 22.6 22.4 328 335 A Y G < S+ 0 0 21 -3,-1.8 -37,-0.4 -4,-0.4 -1,-0.3 0.686 100.7 54.0 -74.0 -14.1 2.7 23.8 26.0 329 336 A F G < S+ 0 0 8 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.302 79.5 130.9-105.0 10.9 2.7 20.1 27.2 330 337 A A < - 0 0 45 -3,-1.1 -39,-0.1 -4,-0.2 -3,-0.0 -0.247 66.0 -97.7 -64.6 144.9 5.4 18.9 24.9 331 338 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.291 39.7-159.3 -54.1 149.4 8.3 16.9 26.3 332 339 A V - 0 0 40 -3,-0.1 3,-0.1 4,-0.0 -45,-0.1 -0.846 19.9-101.2-130.1 166.4 11.5 18.7 27.0 333 340 A D S S+ 0 0 158 1,-0.3 2,-0.1 -2,-0.3 3,-0.0 -0.924 108.2 25.5-141.4 110.0 15.1 17.5 27.4 334 341 A P S S- 0 0 82 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.435 90.8-149.8 -82.3 152.0 16.1 17.3 30.1 335 342 A E - 0 0 54 -2,-0.1 2,-0.3 1,-0.1 -52,-0.1 -0.368 39.1 -82.1 -69.1 162.5 12.8 16.7 31.9 336 343 A L - 0 0 1 -53,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.544 57.2-174.3 -69.0 129.8 12.6 18.0 35.5 337 344 A T - 0 0 63 -2,-0.3 -248,-0.1 2,-0.1 -1,-0.0 -0.907 23.6-156.0-128.3 158.3 14.1 15.3 37.7 338 345 A F + 0 0 27 -2,-0.3 3,-0.2 -246,-0.0 2,-0.1 0.116 47.2 124.4-122.8 19.1 14.3 15.1 41.6 339 346 A E + 0 0 167 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.350 40.1 73.2 -87.6 162.9 17.3 12.9 42.3 340 347 A G 0 0 76 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.577 360.0 360.0 105.9 15.5 20.2 14.0 44.5 341 348 A E 0 0 135 -3,-0.2 -1,-0.2 -248,-0.0 -2,-0.0 -0.205 360.0 360.0 -59.4 360.0 18.3 13.7 47.9