==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-DEC-98 1B4E . COMPND 2 MOLECULE: PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.T.ERSKINE,J.B.COOPER,G.LEWIS,P.SPENCER,S.P.WOOD,P.M.SHOOLI . 323 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 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 . 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 . 25 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 2 0 0 2 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 2 2 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A T 0 0 154 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.7 -6.5 -14.8 -33.7 2 3 A D + 0 0 171 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.739 360.0 145.4 -97.6 92.4 -3.6 -12.6 -32.4 3 4 A L + 0 0 96 -2,-1.2 3,-0.0 1,-0.1 0, 0.0 -0.976 25.1 179.9-125.7 108.3 -3.6 -13.3 -28.7 4 5 A S S S+ 0 0 101 -2,-0.5 2,-0.6 1,-0.1 -1,-0.1 0.863 75.3 63.0 -77.7 -35.7 -0.2 -13.4 -27.0 5 6 A Q + 0 0 159 3,-0.0 -1,-0.1 1,-0.0 3,-0.1 -0.824 59.6 164.9 -96.4 121.2 -1.8 -14.2 -23.7 6 7 A R > - 0 0 105 -2,-0.6 3,-1.8 1,-0.1 4,-0.2 -0.885 14.7-178.2-133.9 90.4 -3.6 -17.5 -23.5 7 8 A P G > S+ 0 0 85 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.845 78.6 74.3 -63.8 -24.0 -4.3 -18.6 -20.0 8 9 A R G > S+ 0 0 199 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.719 75.7 81.5 -63.1 -14.2 -5.9 -21.8 -21.4 9 10 A R G < S+ 0 0 135 -3,-1.8 3,-0.5 1,-0.3 -1,-0.3 0.818 93.0 45.7 -63.5 -26.5 -2.3 -23.1 -22.2 10 11 A L G < S+ 0 0 80 -3,-1.8 -1,-0.3 -4,-0.2 10,-0.2 0.315 106.5 59.7 -99.0 13.8 -1.8 -24.2 -18.6 11 12 A R S < S+ 0 0 139 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.241 71.9 108.0-114.0 1.6 -5.3 -25.9 -18.4 12 13 A K S S+ 0 0 180 -3,-0.5 -2,-0.1 -4,-0.3 -1,-0.1 0.772 85.5 5.5 -51.6 -42.5 -4.6 -28.3 -21.3 13 14 A S S > S- 0 0 40 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.943 76.0-102.7-143.3 169.8 -4.3 -31.5 -19.2 14 15 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.838 118.6 55.6 -60.1 -36.7 -4.6 -32.8 -15.7 15 16 A A H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.935 109.8 45.2 -64.6 -44.1 -0.8 -32.8 -15.3 16 17 A L H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.848 111.8 51.7 -67.6 -38.6 -0.6 -29.1 -16.2 17 18 A R H X S+ 0 0 118 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.906 110.9 49.1 -68.3 -32.1 -3.5 -28.2 -14.0 18 19 A A H < S+ 0 0 66 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.891 109.7 51.3 -70.7 -39.2 -1.8 -30.0 -11.1 19 20 A M H < S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 119.3 36.8 -64.7 -36.3 1.5 -28.3 -11.7 20 21 A F H < S+ 0 0 103 -4,-1.9 -2,-0.2 -10,-0.2 -1,-0.2 0.562 81.3 126.5 -93.4 -8.2 -0.2 -25.0 -11.6 21 22 A E < - 0 0 142 -4,-1.4 -3,-0.0 1,-0.1 -4,-0.0 -0.200 45.3-159.5 -52.9 122.1 -2.8 -25.6 -8.9 22 23 A E + 0 0 186 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.620 65.2 52.8 -85.4 -16.3 -2.3 -22.7 -6.5 23 24 A T - 0 0 37 2,-0.0 2,-0.3 0, 0.0 279,-0.1 -0.968 62.1-159.7-126.7 145.0 -3.9 -24.2 -3.4 24 25 A T - 0 0 109 -2,-0.4 2,-0.4 277,-0.1 -2,-0.0 -0.811 0.3-162.1-119.7 159.0 -3.5 -27.5 -1.5 25 26 A L + 0 0 33 -2,-0.3 2,-0.3 276,-0.0 298,-0.3 -0.997 21.4 151.3-138.9 130.4 -5.8 -29.3 0.8 26 27 A S > - 0 0 31 -2,-0.4 3,-2.2 296,-0.1 4,-0.2 -0.922 59.5 -90.5-150.0 179.2 -4.8 -32.1 3.2 27 28 A L G > S+ 0 0 4 296,-2.8 3,-1.2 1,-0.3 46,-0.5 0.718 117.7 71.2 -67.9 -17.2 -5.7 -33.7 6.5 28 29 A N G 3 S+ 0 0 85 295,-0.5 -1,-0.3 1,-0.3 44,-0.0 0.685 96.0 53.2 -73.2 -8.2 -3.3 -31.3 8.1 29 30 A D G < S+ 0 0 18 -3,-2.2 279,-3.5 278,-0.1 2,-0.4 0.433 95.0 89.2 -99.2 -6.5 -5.9 -28.5 7.4 30 31 A L E < -a 308 0A 2 -3,-1.2 43,-0.5 277,-0.2 2,-0.5 -0.790 48.0-171.3-102.9 144.8 -8.8 -30.2 9.1 31 32 A V E -a 309 0A 2 277,-2.9 279,-1.5 -2,-0.4 44,-0.2 -0.987 23.2-137.8-121.0 125.7 -10.2 -30.2 12.5 32 33 A L E -e 75 0B 11 42,-3.1 44,-1.6 -2,-0.5 279,-0.1 -0.683 9.4-147.6 -85.3 112.1 -13.0 -32.7 13.2 33 34 A P E -e 76 0B 6 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.540 21.7-163.1 -70.2 140.7 -15.9 -31.3 15.3 34 35 A I E -e 77 0B 8 42,-3.3 44,-2.6 -2,-0.1 2,-0.6 -0.974 13.3-146.8-128.6 141.4 -17.3 -34.1 17.4 35 36 A F E -e 78 0B 5 18,-0.5 20,-3.6 -2,-0.4 2,-0.5 -0.897 16.9-175.0-106.0 121.8 -20.6 -34.3 19.3 36 37 A V E -ef 79 55B 0 42,-3.4 44,-2.9 -2,-0.6 2,-0.5 -0.948 7.3-163.3-118.5 124.0 -20.6 -36.3 22.5 37 38 A E E -ef 80 56B 6 18,-2.9 20,-2.6 -2,-0.5 3,-0.4 -0.907 15.8-139.3-105.4 130.5 -23.7 -36.9 24.5 38 39 A E S S+ 0 0 0 42,-2.1 3,-0.1 -2,-0.5 59,-0.0 -0.514 77.4 21.2 -81.8 161.4 -23.4 -38.0 28.1 39 40 A E S S+ 0 0 119 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.884 93.9 115.8 53.6 48.3 -25.5 -40.7 29.7 40 41 A I - 0 0 21 -3,-0.4 18,-0.5 1,-0.1 -1,-0.2 -0.974 50.0-158.2-142.6 154.1 -26.6 -42.4 26.6 41 42 A D S S+ 0 0 98 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.781 72.4 52.6 -99.1 -41.9 -26.0 -45.9 25.2 42 43 A D S S- 0 0 120 13,-0.1 -1,-0.1 1,-0.1 12,-0.1 -0.829 85.2-105.4-107.3 151.6 -26.6 -45.5 21.5 43 44 A Y - 0 0 57 -2,-0.4 2,-0.5 13,-0.1 12,-0.2 -0.237 37.6-141.4 -58.2 139.9 -25.2 -43.2 18.8 44 45 A K E -J 54 0C 82 10,-2.0 10,-3.5 -4,-0.0 2,-0.4 -0.920 8.2-131.6-110.9 136.0 -27.9 -40.7 17.9 45 46 A A E -J 53 0C 70 -2,-0.5 2,-1.1 8,-0.2 8,-0.2 -0.669 10.1-138.8 -85.5 133.2 -28.3 -39.6 14.3 46 47 A V > - 0 0 3 6,-3.3 3,-2.3 -2,-0.4 6,-0.4 -0.776 14.9-161.7 -91.2 101.6 -28.5 -35.9 13.7 47 48 A E T 3 S+ 0 0 156 -2,-1.1 -1,-0.2 1,-0.3 6,-0.0 0.833 87.6 53.4 -49.7 -40.7 -31.3 -35.8 11.1 48 49 A A T 3 S+ 0 0 28 1,-0.3 -1,-0.3 154,-0.2 232,-0.1 0.499 111.4 50.2 -78.1 1.6 -30.4 -32.4 9.8 49 50 A M S X S- 0 0 0 -3,-2.3 3,-3.4 3,-0.2 -3,-0.4 -0.571 88.3-146.0-138.9 70.9 -26.8 -33.5 9.3 50 51 A P T 3 S+ 0 0 25 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.084 84.8 16.1 -41.6 121.5 -27.0 -36.7 7.3 51 52 A G T 3 S+ 0 0 74 1,-0.3 2,-0.4 -5,-0.1 -4,-0.1 0.238 98.6 116.8 96.7 -12.9 -24.2 -39.0 8.4 52 53 A V < - 0 0 14 -3,-3.4 -6,-3.3 -6,-0.4 2,-0.3 -0.807 43.6-170.7 -95.4 134.1 -23.5 -37.1 11.6 53 54 A M E -J 45 0C 84 -2,-0.4 2,-0.5 -8,-0.2 -18,-0.5 -0.922 27.6-123.2-119.2 151.6 -24.0 -39.0 14.9 54 55 A R E -J 44 0C 39 -10,-3.5 -10,-2.0 -2,-0.3 -18,-0.2 -0.778 35.9-135.7 -88.1 126.1 -24.0 -37.9 18.5 55 56 A I E -f 36 0B 9 -20,-3.6 -18,-2.9 -2,-0.5 2,-0.1 -0.804 13.0-124.8 -84.2 126.2 -21.3 -40.1 20.2 56 57 A P E >> -f 37 0B 0 0, 0.0 3,-3.0 0, 0.0 4,-0.9 -0.481 22.9-122.4 -67.8 138.3 -22.4 -41.6 23.5 57 58 A E G >4 S+ 0 0 37 -20,-2.6 3,-0.6 1,-0.3 4,-0.4 0.829 112.5 62.0 -50.4 -30.6 -19.7 -40.6 26.0 58 59 A K G 34 S+ 0 0 118 -18,-0.5 -1,-0.3 -21,-0.3 4,-0.2 0.721 105.9 44.0 -71.3 -17.6 -19.2 -44.2 26.7 59 60 A H G X> S+ 0 0 35 -3,-3.0 4,-2.7 1,-0.1 3,-0.6 0.462 87.9 99.8-102.1 -0.8 -18.1 -44.8 23.1 60 61 A L H S+ 0 0 37 -4,-0.4 4,-1.2 1,-0.2 -1,-0.3 0.875 113.1 49.6 -65.4 -27.7 -12.6 -43.4 23.6 62 63 A R H <> S+ 0 0 135 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.944 112.9 45.0 -71.5 -46.6 -13.4 -45.8 20.8 63 64 A E H X S+ 0 0 21 -4,-2.7 4,-3.6 2,-0.2 5,-0.3 0.957 111.3 51.9 -61.8 -49.7 -14.4 -43.0 18.4 64 65 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.3 -1,-0.2 0.893 110.6 49.2 -56.0 -35.3 -11.5 -40.8 19.2 65 66 A E H X S+ 0 0 98 -4,-1.2 4,-1.9 -5,-0.4 -1,-0.3 0.897 111.6 48.8 -72.4 -34.0 -9.2 -43.7 18.5 66 67 A R H X S+ 0 0 104 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.955 112.1 48.8 -67.1 -46.6 -11.0 -44.3 15.3 67 68 A I H <>S+ 0 0 1 -4,-3.6 5,-1.8 1,-0.2 4,-0.4 0.931 112.4 48.4 -55.5 -46.5 -10.7 -40.6 14.4 68 69 A A H ><5S+ 0 0 26 -4,-3.0 3,-1.1 -5,-0.3 -1,-0.2 0.862 107.7 55.4 -63.0 -37.3 -7.0 -40.7 15.3 69 70 A N H 3<5S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 98.9 60.4 -68.0 -32.3 -6.5 -43.8 13.2 70 71 A A T 3<5S- 0 0 15 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.569 124.0-102.9 -70.9 -10.4 -7.9 -42.2 10.1 71 72 A G T < 5 + 0 0 36 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.524 67.3 156.5 98.3 6.8 -5.2 -39.6 10.4 72 73 A I < - 0 0 6 -5,-1.8 -1,-0.3 1,-0.2 -41,-0.1 -0.512 28.1-160.2 -70.0 130.0 -7.4 -36.8 11.8 73 74 A R + 0 0 145 -46,-0.5 40,-2.1 -43,-0.5 2,-0.3 0.706 61.5 2.5 -84.1 -27.6 -5.0 -34.4 13.7 74 75 A S E - g 0 113B 5 -44,-0.4 -42,-3.1 38,-0.2 2,-0.3 -1.000 54.8-150.3-157.8 159.7 -7.5 -32.7 15.9 75 76 A V E -eg 32 114B 0 38,-2.2 40,-2.9 -2,-0.3 2,-0.5 -0.945 13.3-141.9-135.0 158.6 -11.0 -32.4 17.1 76 77 A M E -eg 33 115B 0 -44,-1.6 -42,-3.3 -2,-0.3 2,-0.4 -0.994 31.5-139.8-112.7 115.8 -13.3 -29.7 18.5 77 78 A T E -eg 34 116B 0 38,-2.6 40,-1.7 -2,-0.5 2,-0.4 -0.715 21.0-177.5 -92.1 139.5 -15.5 -31.2 21.2 78 79 A F E -e 35 0B 1 -44,-2.6 -42,-3.4 -2,-0.4 2,-0.4 -0.995 14.1-148.3-129.6 126.6 -19.2 -30.4 21.6 79 80 A G E -e 36 0B 1 -2,-0.4 2,-0.6 -44,-0.2 -42,-0.2 -0.782 12.5-148.7-104.0 148.6 -21.3 -31.8 24.4 80 81 A I E -e 37 0B 10 -44,-2.9 -42,-2.1 -2,-0.4 2,-0.3 -0.959 33.5-145.1-111.0 107.3 -24.9 -32.8 24.7 81 82 A S - 0 0 18 41,-0.7 3,-0.2 -2,-0.6 -44,-0.0 -0.685 33.9-178.7 -78.0 141.3 -25.8 -32.1 28.3 82 83 A H S S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.2 41,-0.1 -0.080 87.0 59.9-120.0 18.9 -28.1 -34.0 30.7 83 84 A H + 0 0 70 2,-0.0 7,-0.4 41,-0.0 -1,-0.2 -0.364 69.9 155.5-142.9 51.4 -27.3 -31.5 33.4 84 85 A T + 0 0 71 -3,-0.2 2,-0.3 40,-0.1 40,-0.2 -0.433 10.3 167.6 -83.7 162.0 -28.3 -28.0 32.2 85 86 A D B > -k 124 0D 52 38,-1.9 40,-1.8 -2,-0.1 3,-0.7 -0.904 54.1 -74.1-157.3 177.5 -29.1 -25.1 34.5 86 87 A E T 3 S+ 0 0 104 -2,-0.3 46,-0.6 1,-0.2 40,-0.2 0.748 131.3 26.8 -56.0 -25.7 -29.6 -21.4 34.3 87 88 A T T 3 S- 0 0 46 36,-0.1 -1,-0.2 44,-0.1 37,-0.2 0.403 102.9-116.2-118.5 3.7 -25.9 -20.8 33.9 88 89 A G X + 0 0 0 -3,-0.7 3,-2.1 35,-0.5 4,-0.3 0.842 51.0 166.2 64.4 35.4 -24.6 -23.9 32.3 89 90 A S G > + 0 0 39 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.703 61.0 73.3 -61.2 -18.1 -22.5 -24.5 35.4 90 91 A D G > S+ 0 0 6 -7,-0.4 3,-1.9 33,-0.3 6,-0.3 0.865 84.5 70.8 -64.8 -27.3 -21.7 -28.1 34.4 91 92 A A G < S+ 0 0 0 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.0 38.1 -56.9 -28.2 -19.4 -26.6 31.8 92 93 A W G < S+ 0 0 53 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.3 0.208 87.1 115.0-106.9 11.6 -17.1 -25.5 34.6 93 94 A R S X S- 0 0 123 -3,-1.9 3,-2.5 -4,-0.2 6,-0.4 -0.693 75.6-122.0 -83.5 139.3 -17.4 -28.5 36.9 94 95 A E T 3 S+ 0 0 148 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.746 114.8 27.8 -47.0 -28.6 -14.1 -30.3 37.3 95 96 A D T 3 S+ 0 0 74 4,-0.1 -1,-0.3 5,-0.0 -4,-0.1 0.005 91.4 129.5-124.9 23.1 -15.9 -33.4 36.0 96 97 A G S <> S- 0 0 0 -3,-2.5 4,-2.1 -6,-0.3 5,-0.2 -0.053 79.5 -90.5 -66.1 175.4 -18.6 -31.8 33.9 97 98 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.910 125.4 60.2 -59.9 -41.5 -19.0 -33.1 30.3 98 99 A V H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 108.9 42.0 -52.0 -53.0 -16.6 -30.5 29.0 99 100 A A H > S+ 0 0 0 -6,-0.4 4,-3.7 1,-0.2 5,-0.3 0.934 113.8 51.8 -60.1 -47.2 -13.8 -31.8 31.1 100 101 A R H X S+ 0 0 36 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.895 106.3 53.0 -61.1 -38.8 -14.6 -35.4 30.5 101 102 A M H X S+ 0 0 3 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.977 115.3 42.6 -60.7 -47.1 -14.7 -35.1 26.7 102 103 A S H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.958 115.8 47.3 -61.5 -50.8 -11.3 -33.5 26.8 103 104 A R H X S+ 0 0 66 -4,-3.7 4,-2.3 2,-0.2 5,-0.3 0.916 113.2 48.5 -60.2 -42.9 -9.9 -35.9 29.3 104 105 A I H X S+ 0 0 30 -4,-3.2 4,-2.2 -5,-0.3 5,-0.4 0.964 113.4 47.4 -64.8 -45.5 -11.2 -38.9 27.5 105 106 A C H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.4 7,-0.2 0.976 115.8 43.0 -59.4 -50.7 -9.9 -37.7 24.2 106 107 A K H < S+ 0 0 39 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.788 114.8 48.0 -68.3 -29.4 -6.4 -36.9 25.5 107 108 A Q H < S+ 0 0 136 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.875 115.4 45.5 -77.9 -35.8 -5.9 -40.0 27.6 108 109 A T H < S+ 0 0 44 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.931 133.5 15.6 -70.6 -44.7 -7.0 -42.2 24.9 109 110 A V >< - 0 0 25 -4,-2.9 3,-2.0 -5,-0.4 -1,-0.3 -0.748 69.4-175.0-134.8 87.9 -4.9 -40.5 22.2 110 111 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.695 83.3 53.5 -53.8 -26.4 -2.4 -38.3 23.8 111 112 A E T 3 S+ 0 0 170 2,-0.1 2,-0.2 -37,-0.0 -5,-0.1 0.537 82.5 113.4 -91.9 -0.6 -1.1 -36.9 20.5 112 113 A M S < S- 0 0 4 -3,-2.0 2,-1.0 -7,-0.2 -38,-0.2 -0.499 71.7-128.2 -68.2 129.5 -4.6 -35.8 19.5 113 114 A I E -g 74 0B 61 -40,-2.1 -38,-2.2 -2,-0.2 2,-0.6 -0.739 28.8-158.9 -84.9 104.6 -5.0 -32.1 19.4 114 115 A V E -g 75 0B 0 -2,-1.0 46,-2.3 43,-0.3 45,-2.3 -0.784 12.7-173.4 -91.6 122.2 -8.0 -31.4 21.5 115 116 A M E -gh 76 160B 3 -40,-2.9 -38,-2.6 -2,-0.6 2,-0.7 -0.931 13.7-149.3-110.0 130.5 -9.9 -28.2 21.1 116 117 A S E -gh 77 161B 0 44,-3.3 46,-2.5 -2,-0.5 73,-0.1 -0.870 14.3-130.9-100.0 118.4 -12.7 -27.6 23.6 117 118 A D E - h 0 162B 11 -40,-1.7 2,-0.7 -2,-0.7 -38,-0.1 -0.513 27.0-153.3 -66.3 128.0 -15.7 -25.6 22.4 118 119 A T E + h 0 163B 0 44,-3.2 46,-1.6 -2,-0.1 47,-0.7 -0.883 45.0 93.4-111.8 97.3 -16.1 -23.1 25.2 119 120 A C - 0 0 2 -2,-0.7 11,-0.1 44,-0.2 10,-0.1 -0.856 63.0-126.7-160.3-170.2 -19.5 -21.8 25.6 120 121 A F S >> S+ 0 0 0 -2,-0.2 3,-2.3 2,-0.1 4,-1.4 0.502 76.6 99.2-132.0 -8.9 -22.8 -22.3 27.5 121 122 A C T 34 S+ 0 0 9 1,-0.3 89,-0.6 2,-0.2 90,-0.2 0.744 89.4 48.9 -52.4 -31.6 -25.5 -22.7 24.9 122 123 A E T 34 S+ 0 0 9 87,-0.2 -41,-0.7 1,-0.2 -1,-0.3 0.537 118.6 38.9 -85.5 -8.0 -25.3 -26.4 25.2 123 124 A Y T <4 S+ 0 0 7 -3,-2.3 -38,-1.9 5,-0.2 -35,-0.5 0.411 94.4 94.3-119.7 -3.7 -25.5 -26.3 29.0 124 125 A T B < -k 85 0D 3 -4,-1.4 86,-0.5 -40,-0.2 3,-0.2 -0.667 69.4-135.1 -96.5 154.3 -28.0 -23.6 29.8 125 126 A S S S+ 0 0 49 -40,-1.8 -39,-0.1 -2,-0.3 -1,-0.1 0.845 109.8 44.0 -64.7 -41.6 -31.7 -24.0 30.4 126 127 A H S S- 0 0 16 -41,-0.3 86,-0.7 -40,-0.2 -1,-0.2 0.538 107.6-126.7 -83.8 -11.7 -32.5 -21.1 28.1 127 128 A G + 0 0 0 1,-0.3 84,-0.5 -3,-0.2 2,-0.1 0.368 60.2 137.8 79.5 -0.3 -30.1 -22.2 25.4 128 129 A H - 0 0 29 2,-0.2 2,-0.5 82,-0.1 -1,-0.3 -0.400 68.0-108.2 -76.3 156.5 -28.1 -18.9 25.2 129 130 A C S S- 0 0 2 -9,-0.2 2,-0.3 36,-0.1 -1,-0.1 -0.004 90.7 -14.7 -72.7 28.0 -24.4 -18.7 24.9 130 131 A G S S- 0 0 0 -2,-0.5 2,-0.5 -10,-0.1 -2,-0.2 -0.985 103.5 -12.0 172.0-158.3 -24.1 -17.4 28.4 131 132 A V - 0 0 24 7,-0.5 7,-1.9 -2,-0.3 2,-0.5 -0.646 55.7-142.6 -81.4 122.0 -25.6 -15.9 31.5 132 133 A L E +L 137 0E 61 -46,-0.6 5,-0.2 -2,-0.5 2,-0.2 -0.792 29.4 161.7 -91.0 120.3 -29.1 -14.6 31.0 133 134 A K E > -L 136 0E 81 3,-3.5 3,-0.6 -2,-0.5 0, 0.0 -0.487 57.3 -89.2-121.9-174.9 -30.0 -11.4 32.8 134 135 A E T 3 S+ 0 0 175 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.647 127.9 55.9 -78.3 -9.7 -32.9 -8.9 32.3 135 136 A H T 3 S- 0 0 140 1,-0.4 2,-0.4 0, 0.0 -1,-0.2 0.602 122.7-105.2 -92.2 -11.9 -30.6 -7.0 29.9 136 137 A G E < S+L 133 0E 23 -3,-0.6 -3,-3.5 2,-0.0 2,-1.1 -0.979 82.0 2.1 125.8-135.3 -30.1 -10.1 27.9 137 138 A V E S-L 132 0E 20 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.1 -0.753 80.3-132.1 -91.9 98.6 -27.0 -12.3 27.8 138 139 A D > - 0 0 44 -7,-1.9 4,-1.5 -2,-1.1 -7,-0.5 -0.260 13.3-155.0 -51.2 119.7 -24.7 -10.5 30.3 139 140 A N H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.970 86.5 40.1 -61.8 -62.5 -21.3 -10.1 28.9 140 141 A D H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.811 111.7 53.7 -59.1 -37.7 -19.2 -9.9 31.9 141 142 A A H > S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 111.1 50.3 -65.7 -35.1 -20.9 -12.6 34.0 142 143 A T H X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 5,-0.3 0.920 103.9 57.6 -65.3 -43.0 -20.4 -14.9 31.0 143 144 A L H X S+ 0 0 22 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.921 104.7 51.6 -54.1 -43.8 -16.7 -14.0 30.8 144 145 A E H X S+ 0 0 127 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.954 112.2 46.3 -60.8 -42.0 -16.1 -15.2 34.4 145 146 A N H X S+ 0 0 10 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.933 109.0 54.2 -67.0 -40.2 -17.8 -18.4 33.6 146 147 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.917 108.5 51.2 -57.7 -41.3 -15.9 -18.9 30.4 147 148 A G H X S+ 0 0 5 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.937 109.6 48.4 -62.5 -42.4 -12.8 -18.4 32.3 148 149 A K H X S+ 0 0 68 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.951 113.0 48.7 -63.9 -42.6 -13.8 -21.0 34.9 149 150 A Q H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.927 106.9 56.3 -61.8 -41.6 -14.7 -23.5 32.2 150 151 A A H X S+ 0 0 0 -4,-3.0 4,-3.4 -5,-0.3 5,-0.3 0.941 106.1 50.3 -58.1 -43.7 -11.4 -22.9 30.4 151 152 A V H X S+ 0 0 34 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.943 113.3 44.3 -63.5 -43.6 -9.4 -23.8 33.5 152 153 A V H X S+ 0 0 17 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.926 115.0 49.3 -69.1 -33.6 -11.3 -27.0 34.0 153 154 A A H X>S+ 0 0 0 -4,-3.2 5,-2.2 -5,-0.2 4,-0.6 0.969 114.8 44.0 -67.0 -44.7 -11.1 -27.9 30.3 154 155 A A H ><5S+ 0 0 8 -4,-3.4 3,-1.3 -5,-0.3 -1,-0.2 0.912 111.0 54.0 -63.5 -40.1 -7.4 -27.2 30.2 155 156 A A H 3<5S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.847 106.6 55.2 -60.2 -33.3 -6.9 -29.1 33.5 156 157 A A H 3<5S- 0 0 6 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.547 131.3 -88.3 -77.1 -12.1 -8.7 -31.9 31.8 157 158 A G T <<5S+ 0 0 24 -3,-1.3 -43,-0.3 -4,-0.6 -3,-0.2 0.438 70.4 152.0 122.7 -7.4 -6.3 -32.0 28.8 158 159 A A < - 0 0 4 -5,-2.2 -1,-0.3 -6,-0.2 -43,-0.2 -0.371 29.5-161.2 -62.0 136.4 -7.7 -29.6 26.2 159 160 A D S S+ 0 0 50 -45,-2.3 28,-2.3 1,-0.3 2,-0.4 0.856 79.0 30.8 -85.0 -33.4 -4.9 -28.2 24.0 160 161 A F E -hi 115 187B 43 -46,-2.3 -44,-3.3 26,-0.2 2,-0.5 -0.982 66.7-150.0-125.9 136.9 -7.0 -25.3 22.9 161 162 A I E -hi 116 188B 0 26,-3.4 28,-1.9 -2,-0.4 -44,-0.2 -0.868 21.2-163.7 -97.1 124.8 -9.8 -23.5 24.7 162 163 A A E -h 117 0B 0 -46,-2.5 -44,-3.2 -2,-0.5 2,-0.4 -0.767 4.1-157.0-116.2 91.2 -12.2 -22.3 21.9 163 164 A P E +h 118 0B 0 0, 0.0 28,-1.6 0, 0.0 -44,-0.2 -0.485 22.3 165.1 -68.6 119.3 -14.6 -19.6 23.0 164 165 A S + 0 0 2 -46,-1.6 -45,-0.2 -2,-0.4 -35,-0.1 0.171 48.3 98.6-118.9 16.4 -17.6 -19.6 20.7 165 166 A A S S- 0 0 0 -47,-0.7 -1,-0.1 2,-0.1 -36,-0.1 0.474 83.3-131.4 -81.3 -4.3 -19.9 -17.5 22.9 166 167 A A + 0 0 14 1,-0.2 2,-0.4 25,-0.2 -2,-0.1 0.849 50.0 156.4 55.7 40.4 -19.3 -14.3 21.0 167 168 A M > - 0 0 6 -25,-0.1 3,-1.5 -38,-0.1 4,-0.3 -0.769 47.9-109.1-100.5 147.8 -18.7 -12.4 24.2 168 169 A D T 3 S+ 0 0 103 -2,-0.4 -25,-0.1 1,-0.2 -1,-0.0 -0.419 102.4 11.3 -65.4 136.0 -16.6 -9.2 24.2 169 170 A G T 3> S+ 0 0 17 -2,-0.1 4,-3.2 1,-0.1 5,-0.3 0.609 85.2 134.3 71.0 10.4 -13.2 -9.7 26.0 170 171 A Q H <> + 0 0 4 -3,-1.5 4,-2.2 1,-0.2 5,-0.3 0.882 69.8 49.4 -62.6 -35.1 -13.6 -13.4 26.0 171 172 A V H > S+ 0 0 0 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.961 114.1 45.7 -69.9 -41.4 -10.1 -14.1 24.9 172 173 A Q H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.961 113.9 49.0 -61.7 -48.5 -8.6 -11.8 27.4 173 174 A A H X S+ 0 0 15 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.933 114.6 44.0 -56.8 -48.1 -10.8 -13.2 30.2 174 175 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.915 111.5 53.5 -68.3 -36.9 -9.9 -16.8 29.3 175 176 A R H X S+ 0 0 36 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.959 109.5 48.3 -63.2 -45.0 -6.2 -16.0 28.9 176 177 A Q H X S+ 0 0 119 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.923 112.9 49.0 -59.7 -43.3 -6.0 -14.4 32.4 177 178 A A H X S+ 0 0 27 -4,-2.0 4,-2.2 -5,-0.3 6,-0.2 0.922 112.7 45.9 -64.3 -42.6 -7.8 -17.4 33.9 178 179 A L H <>S+ 0 0 0 -4,-2.7 5,-3.9 2,-0.2 4,-0.3 0.962 115.3 47.1 -65.3 -47.4 -5.6 -20.0 32.3 179 180 A D H ><5S+ 0 0 73 -4,-2.9 3,-1.4 -5,-0.2 5,-0.3 0.929 114.3 46.1 -57.8 -49.5 -2.5 -18.1 33.2 180 181 A A H 3<5S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.2 53.4 -61.1 -39.4 -3.5 -17.5 36.8 181 182 A A T 3<5S- 0 0 46 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.501 124.5-106.0 -75.5 -0.1 -4.6 -21.1 37.0 182 183 A G T < 5S+ 0 0 56 -3,-1.4 3,-0.3 -4,-0.3 -3,-0.2 0.683 87.5 119.5 86.0 17.9 -1.1 -22.1 35.8 183 184 A F > < + 0 0 55 -5,-3.9 3,-1.6 -6,-0.2 -4,-0.2 -0.285 20.2 143.4-112.4 54.8 -2.1 -23.1 32.3 184 185 A K T 3 S+ 0 0 161 -5,-0.3 -1,-0.2 1,-0.3 -5,-0.1 0.817 71.2 56.2 -61.1 -28.4 0.1 -20.6 30.5 185 186 A D T 3 S+ 0 0 148 -3,-0.3 2,-0.3 -7,-0.1 -1,-0.3 0.542 81.7 106.0 -80.7 -11.4 0.8 -23.2 27.8 186 187 A T < - 0 0 15 -3,-1.6 -26,-0.2 -11,-0.1 2,-0.1 -0.594 65.8-138.2 -75.3 128.3 -2.9 -23.8 27.0 187 188 A A E -i 160 0B 15 -28,-2.3 -26,-3.4 -2,-0.3 2,-0.5 -0.449 1.7-134.3 -86.8 166.9 -3.8 -22.2 23.7 188 189 A I E -i 161 0B 0 -28,-0.2 53,-1.9 51,-0.2 54,-1.7 -0.979 10.9-170.2-125.2 113.4 -6.8 -20.2 22.6 189 190 A M B -m 242 0F 0 -28,-1.9 2,-0.3 -2,-0.5 54,-0.2 -0.828 27.0-155.6 -99.4 86.7 -8.5 -21.0 19.3 190 191 A S - 0 0 0 52,-1.9 2,-2.2 -2,-1.0 3,-0.3 -0.491 26.0-142.9 -72.3 142.0 -10.8 -18.0 19.3 191 192 A Y + 0 0 1 -28,-1.6 3,-0.2 -2,-0.3 -25,-0.2 -0.533 43.7 166.7 -91.7 63.8 -14.0 -18.0 17.3 192 193 A S + 0 0 3 -2,-2.2 2,-0.6 1,-0.2 -1,-0.2 0.813 62.1 33.1 -48.1 -50.6 -12.9 -14.4 16.7 193 194 A T E S+b 245 0A 0 51,-2.8 53,-2.6 -3,-0.3 2,-0.5 -0.921 75.0 161.4-115.8 100.6 -15.3 -13.5 13.9 194 195 A K E -b 246 0A 16 -2,-0.6 26,-1.9 -3,-0.2 2,-0.2 -0.983 23.0-151.2-125.7 117.1 -18.6 -15.4 14.5 195 196 A F B -n 220 0G 0 51,-2.4 2,-2.4 -2,-0.5 26,-0.2 -0.578 27.9-111.7 -90.0 159.8 -21.6 -14.2 12.7 196 197 A A + 0 0 19 24,-3.6 2,-0.2 -2,-0.2 -1,-0.1 -0.589 61.7 179.0 -84.1 71.9 -25.2 -14.4 13.7 197 198 A S > - 0 0 9 -2,-2.4 3,-0.6 1,-0.1 24,-0.0 -0.585 45.4-146.1 -88.4 150.8 -25.7 -16.8 10.8 198 199 A S G > S+ 0 0 116 -2,-0.2 3,-0.8 1,-0.2 -1,-0.1 0.358 91.2 83.0 -87.3 1.7 -28.7 -18.6 9.6 199 200 A F G 3 S+ 0 0 51 1,-0.2 74,-2.3 2,-0.1 75,-0.4 0.326 72.0 76.9 -88.8 9.4 -26.4 -21.4 8.6 200 201 A Y G X> + 0 0 8 -3,-0.6 4,-1.2 72,-0.2 3,-0.7 0.390 58.3 110.2-100.0 5.8 -26.4 -22.9 12.1 201 202 A G H X> S+ 0 0 41 -3,-0.8 3,-1.3 1,-0.3 4,-1.0 0.948 78.0 46.7 -43.0 -69.2 -29.8 -24.5 12.0 202 203 A P H 3> S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.795 102.8 65.6 -43.8 -38.2 -28.6 -28.1 12.0 203 204 A F H <> S+ 0 0 20 -3,-0.7 4,-3.6 1,-0.2 5,-0.5 0.888 93.7 59.2 -53.6 -44.6 -26.2 -27.5 14.9 204 205 A R H > + 0 0 9 -2,-0.3 4,-3.2 1,-0.1 3,-1.9 0.090 64.0 121.5-115.7 22.8 -28.2 -14.5 19.2 216 217 A K T 34 + 0 0 146 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.618 65.5 65.8 -63.2 -12.5 -28.1 -11.3 17.4 217 218 A S T 34 S+ 0 0 96 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.574 122.0 15.6 -86.7 -6.6 -27.1 -9.4 20.5 218 219 A Y T <4 S+ 0 0 26 -3,-1.9 2,-0.2 1,-0.2 -2,-0.2 0.610 112.4 71.6-129.2 -47.4 -23.8 -11.2 20.7 219 220 A Q S < S- 0 0 9 -4,-3.2 -24,-0.2 -24,-0.1 -1,-0.2 -0.590 89.7-114.1 -74.5 137.8 -23.1 -12.9 17.4 220 221 A M B -n 195 0G 11 -26,-1.9 -24,-3.6 -2,-0.2 -1,-0.1 -0.410 30.7 -84.8 -80.8 157.8 -22.3 -10.2 14.8 221 222 A N > - 0 0 77 -26,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.394 28.7-137.5 -59.6 122.5 -24.2 -9.1 11.8 222 223 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.745 102.5 57.8 -51.2 -26.8 -23.4 -11.2 8.7 223 224 A M T 3 S+ 0 0 143 1,-0.1 2,-1.4 2,-0.0 -2,-0.1 0.580 80.9 98.0 -84.7 -11.9 -23.3 -8.0 6.6 224 225 A N <> + 0 0 56 -3,-2.3 4,-2.1 1,-0.2 5,-0.2 -0.556 36.2 162.5 -86.5 84.1 -20.6 -6.3 8.6 225 226 A R H > S+ 0 0 118 -2,-1.4 4,-1.6 2,-0.2 5,-0.2 0.890 77.2 46.6 -69.0 -37.6 -17.3 -6.8 6.9 226 227 A R H > S+ 0 0 194 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.960 114.6 47.1 -70.0 -42.5 -15.4 -4.0 8.7 227 228 A E H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.910 107.3 59.3 -60.8 -36.4 -16.7 -5.0 12.0 228 229 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.904 107.6 44.5 -61.5 -38.4 -15.8 -8.6 11.2 229 230 A I H X S+ 0 0 9 -4,-1.6 4,-2.4 -3,-0.2 3,-0.2 0.944 113.2 50.5 -71.9 -42.2 -12.2 -7.7 10.7 230 231 A R H X S+ 0 0 160 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.921 104.7 59.5 -60.5 -37.0 -12.1 -5.6 13.8 231 232 A E H X S+ 0 0 40 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.898 110.2 41.0 -56.2 -43.5 -13.6 -8.4 15.8 232 233 A S H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.2 -1,-0.2 0.830 111.5 55.0 -77.4 -32.9 -10.8 -10.7 15.0 233 234 A L H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 104.0 54.6 -69.3 -32.5 -8.1 -8.1 15.4 234 235 A L H X S+ 0 0 67 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.914 107.2 53.5 -62.7 -34.7 -9.3 -7.3 18.9 235 236 A D H <>S+ 0 0 5 -4,-1.0 5,-2.4 2,-0.2 -1,-0.2 0.846 106.2 50.0 -67.5 -33.6 -8.8 -11.0 19.6 236 237 A E H ><5S+ 0 0 73 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.925 109.4 52.7 -69.2 -40.0 -5.3 -10.9 18.3 237 238 A A H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.856 106.2 53.8 -62.3 -35.4 -4.7 -7.9 20.6 238 239 A Q T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.352 126.4-101.4 -81.3 6.1 -6.1 -10.0 23.5 239 240 A G T < 5 + 0 0 36 -3,-1.8 -3,-0.2 1,-0.2 -51,-0.2 0.584 56.2 169.6 91.0 9.7 -3.6 -12.7 22.8 240 241 A A < - 0 0 5 -5,-2.4 -1,-0.2 1,-0.1 -51,-0.1 -0.112 29.2-145.7 -53.9 145.7 -5.5 -15.5 20.9 241 242 A D S S+ 0 0 68 -53,-1.9 2,-0.3 1,-0.3 -52,-0.2 0.879 83.3 12.5 -83.6 -31.4 -3.3 -18.1 19.4 242 243 A C B S-m 189 0F 4 -54,-1.7 -52,-1.9 22,-0.1 -1,-0.3 -0.977 72.8-147.2-138.8 146.2 -5.4 -18.6 16.4 243 244 A L E - c 0 266A 0 22,-2.9 24,-3.3 -2,-0.3 2,-0.3 -0.528 15.7-157.8-105.7 179.6 -8.3 -16.6 15.0 244 245 A M E - c 0 267A 0 22,-0.2 -51,-2.8 -2,-0.2 2,-0.5 -0.987 17.7-147.8-161.6 150.9 -11.3 -17.9 13.2 245 246 A V E -bc 193 268A 0 22,-2.1 24,-2.5 -2,-0.3 -51,-0.2 -0.972 29.4-144.4-117.2 128.7 -14.1 -16.9 10.8 246 247 A K E S+b 194 0A 10 -53,-2.6 -51,-2.4 -2,-0.5 2,-0.2 -0.944 80.6 28.4-147.9 128.4 -17.4 -18.7 11.3 247 248 A P S S- 0 0 0 0, 0.0 23,-0.2 0, 0.0 -52,-0.1 0.620 76.3-178.1 -68.3 174.1 -19.3 -19.5 9.2 248 249 A A > + 0 0 0 21,-1.5 3,-2.3 -2,-0.2 7,-0.2 0.825 64.2 67.1-107.1 -50.0 -16.6 -19.9 6.5 249 250 A G G > S+ 0 0 35 20,-0.3 3,-0.5 1,-0.3 21,-0.1 0.829 112.1 30.8 -43.3 -50.4 -18.4 -20.9 3.3 250 251 A A G 3 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.206 118.3 61.0 -96.9 15.7 -20.3 -17.6 2.7 251 252 A Y G X> + 0 0 18 -3,-2.3 4,-2.1 1,-0.1 3,-0.7 -0.008 56.6 124.2-130.1 31.8 -17.5 -15.5 4.3 252 253 A L H <> S+ 0 0 30 -3,-0.5 4,-2.4 1,-0.3 5,-0.2 0.782 73.6 59.5 -67.2 -21.7 -14.5 -16.2 2.2 253 254 A D H 3> S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.883 106.3 48.3 -71.9 -32.1 -14.0 -12.5 1.6 254 255 A I H <> S+ 0 0 4 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.912 109.9 51.7 -71.0 -38.9 -13.7 -12.1 5.3 255 256 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.963 112.2 46.7 -60.1 -47.2 -11.2 -14.9 5.5 256 257 A R H X S+ 0 0 94 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.919 113.2 47.1 -63.2 -46.8 -9.2 -13.3 2.8 257 258 A E H X S+ 0 0 57 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.927 113.1 49.0 -63.9 -40.9 -9.2 -9.8 4.2 258 259 A L H >X S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 4,-1.0 0.928 106.1 58.1 -62.1 -40.8 -8.3 -11.1 7.7 259 260 A R H 3< S+ 0 0 49 -4,-2.5 3,-0.3 -5,-0.3 -1,-0.2 0.854 107.7 47.1 -57.9 -31.1 -5.5 -13.1 6.2 260 261 A E H 3< S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.585 112.1 52.1 -88.6 -4.3 -4.0 -9.9 4.8 261 262 A R H << S+ 0 0 150 -3,-1.9 2,-0.3 -4,-0.5 -2,-0.2 0.440 111.1 34.0-109.7 -0.6 -4.5 -8.2 8.2 262 263 A T < - 0 0 5 -4,-1.0 -1,-0.1 -3,-0.3 4,-0.0 -0.986 53.5-147.1-150.1 157.3 -2.8 -10.5 10.6 263 264 A E S S+ 0 0 176 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.375 72.1 108.6 -97.6 -2.0 0.2 -13.0 10.8 264 265 A L S S- 0 0 38 1,-0.1 -22,-0.1 -22,-0.0 -2,-0.1 -0.295 82.9 -92.8 -73.6 157.9 -1.8 -15.2 13.2 265 266 A P - 0 0 55 0, 0.0 -22,-2.9 0, 0.0 2,-0.5 -0.356 40.5-146.2 -68.7 156.2 -3.2 -18.5 12.2 266 267 A I E -c 243 0A 0 -24,-0.2 40,-2.9 38,-0.2 41,-1.8 -0.979 10.2-164.5-129.4 125.5 -6.7 -18.4 10.9 267 268 A G E -cd 244 307A 0 -24,-3.3 -22,-2.1 -2,-0.5 2,-0.4 -0.649 5.9-158.5-102.5 158.9 -9.3 -21.1 11.3 268 269 A A E -cd 245 308A 0 39,-1.9 41,-3.0 -2,-0.3 2,-0.8 -0.994 9.2-140.1-141.3 129.8 -12.5 -21.3 9.3 269 270 A Y E - d 0 309A 1 -24,-2.5 2,-1.6 -2,-0.4 -21,-1.5 -0.810 3.3-158.1 -98.6 111.7 -15.6 -23.1 10.3 270 271 A Q - 0 0 0 39,-2.6 41,-0.5 -2,-0.8 5,-0.1 -0.641 37.5-144.7 -84.0 90.7 -17.6 -25.0 7.6 271 272 A V > - 0 0 2 -2,-1.6 4,-2.4 1,-0.1 3,-0.3 0.080 19.7-100.0 -54.6 166.4 -20.8 -24.8 9.7 272 273 A S H > S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -72,-0.2 0.816 121.8 55.8 -57.3 -37.1 -23.5 -27.4 10.0 273 274 A G H > S+ 0 0 8 -74,-2.3 4,-2.8 2,-0.2 -1,-0.3 0.869 107.8 49.0 -66.4 -38.8 -25.7 -25.5 7.5 274 275 A E H > S+ 0 0 15 -75,-0.4 4,-1.9 -3,-0.3 -2,-0.2 0.956 112.6 47.6 -63.6 -47.1 -22.9 -25.7 4.9 275 276 A Y H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 114.2 48.0 -59.2 -41.7 -22.5 -29.4 5.6 276 277 A A H X S+ 0 0 10 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.898 106.8 55.1 -70.1 -39.0 -26.3 -29.9 5.4 277 278 A M H X S+ 0 0 120 -4,-2.8 4,-1.4 1,-0.2 5,-0.2 0.895 113.2 43.5 -59.8 -37.4 -26.7 -27.9 2.1 278 279 A I H X S+ 0 0 12 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.953 115.0 47.6 -73.4 -46.7 -24.1 -30.2 0.5 279 280 A K H X S+ 0 0 32 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.912 114.0 46.2 -60.5 -47.4 -25.5 -33.4 1.9 280 281 A F H X S+ 0 0 97 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.880 114.9 45.2 -67.8 -36.3 -29.1 -32.7 1.0 281 282 A A H <>S+ 0 0 31 -4,-1.4 5,-2.0 -5,-0.3 6,-0.9 0.870 114.9 49.4 -72.2 -37.1 -28.4 -31.5 -2.5 282 283 A A H ><5S+ 0 0 20 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.931 108.7 53.0 -67.2 -37.8 -26.1 -34.5 -3.0 283 284 A L H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.851 107.4 52.0 -64.3 -31.8 -28.8 -36.8 -1.6 284 285 A A T 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.531 116.3-118.6 -82.6 -0.9 -31.2 -35.3 -4.2 285 286 A G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.554 80.4 123.0 77.6 8.1 -28.6 -36.1 -6.9 286 287 A A S - 0 0 82 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 -0.830 31.1-151.4 -93.7 116.9 -21.6 -34.7 -6.7 289 290 A E H > S+ 0 0 43 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.929 89.7 47.9 -53.7 -54.6 -20.9 -34.8 -2.9 290 291 A E H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.911 114.3 46.1 -59.1 -39.7 -17.2 -35.5 -3.1 291 292 A K H > S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 113.6 48.2 -69.3 -42.8 -16.5 -32.9 -5.6 292 293 A V H X S+ 0 0 40 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.879 111.6 50.7 -64.5 -36.4 -18.5 -30.2 -3.9 293 294 A V H X S+ 0 0 3 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.958 112.6 44.9 -67.3 -47.6 -16.9 -30.9 -0.6 294 295 A L H X S+ 0 0 47 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.905 115.4 47.2 -65.6 -36.6 -13.4 -30.8 -1.9 295 296 A E H X S+ 0 0 137 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.953 113.1 50.0 -68.7 -40.2 -14.1 -27.6 -3.8 296 297 A S H X S+ 0 0 39 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.945 116.9 40.3 -58.8 -49.2 -15.8 -26.1 -0.8 297 298 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.868 114.1 52.0 -69.0 -40.7 -12.9 -26.9 1.4 298 299 A G H X S+ 0 0 18 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.861 107.4 54.9 -65.1 -36.7 -10.3 -26.0 -1.2 299 300 A S H X S+ 0 0 21 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.925 106.0 51.0 -62.1 -40.3 -12.1 -22.7 -1.5 300 301 A I H <>S+ 0 0 1 -4,-1.7 5,-1.7 1,-0.2 4,-0.4 0.902 112.2 46.9 -64.6 -37.7 -11.8 -22.1 2.2 301 302 A K H ><5S+ 0 0 35 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.857 108.9 54.9 -70.4 -33.6 -8.1 -22.9 1.9 302 303 A R H 3<5S+ 0 0 128 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.887 100.6 60.0 -63.1 -40.4 -7.8 -20.6 -1.1 303 304 A A T 3<5S- 0 0 6 -4,-2.3 -1,-0.3 -5,-0.1 -44,-0.2 0.640 129.8 -93.4 -62.1 -16.8 -9.2 -17.7 0.9 304 305 A G T < 5S+ 0 0 10 -3,-1.0 2,-0.2 -4,-0.4 -38,-0.2 0.562 70.9 150.3 118.2 6.2 -6.4 -18.1 3.3 305 306 A A < - 0 0 3 -5,-1.7 -1,-0.3 1,-0.2 -38,-0.2 -0.531 30.1-164.6 -75.6 135.1 -7.5 -20.4 6.1 306 307 A D S S+ 0 0 66 -40,-2.9 2,-0.4 -2,-0.2 -39,-0.2 0.835 78.7 24.9 -85.0 -32.2 -4.9 -22.4 7.9 307 308 A L E - d 0 267A 40 -41,-1.8 -39,-1.9 -7,-0.1 2,-0.4 -0.979 65.7-158.7-132.7 148.4 -7.4 -24.7 9.5 308 309 A I E -ad 30 268A 0 -279,-3.5 -277,-2.9 -2,-0.4 2,-0.7 -0.980 12.1-146.1-127.0 132.6 -10.9 -25.7 8.6 309 310 A F E +ad 31 269A 0 -41,-3.0 -39,-2.6 -2,-0.4 2,-0.4 -0.916 36.0 166.5 -95.7 115.1 -13.5 -27.2 11.0 310 311 A S > - 0 0 0 -279,-1.5 3,-1.1 -2,-0.7 4,-0.2 -0.998 43.3-149.9-135.4 136.7 -15.4 -29.6 8.8 311 312 A Y T 3 S+ 0 0 17 -41,-0.5 3,-0.3 -2,-0.4 4,-0.3 0.626 100.7 63.2 -74.4 -10.4 -17.9 -32.3 9.7 312 313 A F T 3> S+ 0 0 5 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.493 75.1 99.3 -85.8 -13.9 -16.7 -34.2 6.5 313 314 A A H <> S+ 0 0 0 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.828 80.7 44.7 -44.3 -48.5 -13.2 -34.6 7.9 314 315 A L H > S+ 0 0 21 -3,-0.3 4,-3.5 -4,-0.2 5,-0.3 0.934 113.9 49.7 -68.3 -42.6 -13.4 -38.1 9.1 315 316 A D H > S+ 0 0 53 -4,-0.3 4,-2.7 1,-0.2 6,-0.3 0.946 111.6 48.4 -61.9 -43.9 -15.1 -39.4 6.0 316 317 A L H <>S+ 0 0 5 -4,-2.9 6,-1.6 1,-0.2 5,-1.4 0.902 115.1 47.2 -63.7 -35.5 -12.6 -37.7 3.8 317 318 A A H ><5S+ 0 0 1 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.946 114.5 44.0 -68.5 -49.6 -9.8 -39.2 5.9 318 319 A E H 3<5S+ 0 0 70 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.877 112.0 51.4 -64.1 -39.4 -11.3 -42.7 6.0 319 320 A K T 3<5S- 0 0 121 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.451 110.9-125.1 -77.5 2.4 -12.1 -42.8 2.4 320 321 A K T < 5S+ 0 0 154 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.704 71.3 133.1 63.5 19.0 -8.5 -41.7 1.8 321 322 A I S