==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHYDRATASE 21-OCT-99 1QNV . COMPND 2 MOLECULE: 5-AMINOLAEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.T.ERSKINE,N.M.SENIOR,M.J.WARREN,S.P.WOOD,J.B.COOPER . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 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 . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 3 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 209 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.6 31.5 16.1 -45.8 2 2 A H - 0 0 185 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.469 360.0-171.5 -65.6 107.5 30.4 15.3 -42.3 3 3 A T - 0 0 106 -2,-0.8 2,-0.4 1,-0.0 -1,-0.0 -0.770 30.5 -98.7-102.8 147.8 26.7 15.9 -42.6 4 4 A A - 0 0 77 -2,-0.3 2,-0.2 1,-0.0 -1,-0.0 -0.469 37.2-146.2 -65.8 119.0 24.2 16.0 -39.7 5 5 A E - 0 0 163 -2,-0.4 2,-0.4 1,-0.0 -1,-0.0 -0.649 12.4-167.0 -86.3 147.9 22.5 12.6 -39.5 6 6 A F - 0 0 183 -2,-0.2 3,-0.0 3,-0.0 -2,-0.0 -0.939 14.7-138.7-134.8 107.6 18.8 12.6 -38.3 7 7 A L - 0 0 139 -2,-0.4 2,-0.7 1,-0.1 0, 0.0 -0.107 26.8-103.1 -61.7 167.2 17.3 9.3 -37.3 8 8 A E - 0 0 193 1,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.865 44.8-161.5-102.6 113.4 13.7 8.5 -38.3 9 9 A T - 0 0 136 -2,-0.7 -1,-0.0 1,-0.1 -3,-0.0 -0.078 14.5-117.9 -83.8 178.6 11.2 8.9 -35.5 10 10 A E - 0 0 173 1,-0.0 3,-0.1 -2,-0.0 2,-0.1 -0.806 50.9 -74.6-114.3 152.5 7.7 7.8 -34.5 11 11 A P - 0 0 124 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.359 65.2 -92.8 -58.0 127.3 4.7 10.1 -33.9 12 12 A T - 0 0 112 1,-0.1 2,-0.1 -2,-0.1 5,-0.1 -0.057 40.7-123.8 -39.1 121.2 5.1 11.9 -30.6 13 13 A E > - 0 0 139 1,-0.1 3,-1.0 -3,-0.1 4,-0.3 -0.486 9.4-133.4 -71.8 143.9 3.5 9.9 -27.8 14 14 A I G > S+ 0 0 153 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.804 106.1 63.3 -66.6 -23.0 0.9 11.9 -25.9 15 15 A S G 3 S+ 0 0 115 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.129 94.9 58.0 -91.4 36.8 2.5 10.5 -22.7 16 16 A S G < S+ 0 0 93 -3,-1.0 2,-0.8 -2,-0.1 3,-0.2 0.309 86.2 86.8-138.9 -3.5 5.9 12.2 -23.4 17 17 A V < + 0 0 84 -3,-0.9 -1,-0.1 -4,-0.3 3,-0.1 -0.806 32.7 136.8-107.9 87.1 4.5 15.7 -23.5 18 18 A L > + 0 0 137 -2,-0.8 3,-2.4 1,-0.1 4,-0.2 0.639 49.6 97.9 -98.9 -21.7 4.4 17.2 -20.0 19 19 A A G > + 0 0 51 1,-0.3 3,-2.1 -3,-0.2 -1,-0.1 0.719 68.1 64.6 -33.8 -52.0 5.7 20.5 -21.4 20 20 A G G 3 S+ 0 0 54 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.511 93.1 65.7 -61.7 -2.4 2.4 22.4 -21.7 21 21 A G G < S+ 0 0 24 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.473 110.3 31.5 -95.9 -7.8 2.0 22.2 -17.9 22 22 A Y S < S+ 0 0 143 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.1 -0.409 86.1 103.3-147.3 61.9 4.9 24.4 -17.1 23 23 A N + 0 0 108 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.1 0.660 67.6 60.9-115.6 -32.0 5.3 26.9 -19.9 24 24 A H S > S- 0 0 98 -4,-0.1 3,-1.4 1,-0.1 4,-0.4 -0.729 86.0-117.6-100.4 149.4 3.9 30.2 -18.6 25 25 A P G > S+ 0 0 84 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.761 116.4 54.6 -57.0 -22.7 5.3 32.0 -15.6 26 26 A L G >> S+ 0 0 78 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.724 97.0 63.6 -82.4 -20.9 2.0 31.6 -13.8 27 27 A L G <4 S+ 0 0 31 -3,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.538 93.0 63.2 -78.8 -5.7 2.0 27.8 -14.4 28 28 A R G <4 S+ 0 0 170 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.346 106.0 45.3 -98.2 6.2 5.2 27.6 -12.2 29 29 A Q T <4 S+ 0 0 83 -3,-1.2 3,-0.2 2,-0.1 -2,-0.2 0.535 111.7 52.3-110.1 -30.9 2.9 28.9 -9.4 30 30 A W S < S+ 0 0 177 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.2 0.542 107.2 53.5 -82.7 -18.1 0.3 26.4 -10.4 31 31 A Q S S+ 0 0 119 -4,-0.3 2,-0.6 -5,-0.1 -1,-0.2 0.376 85.4 100.0-100.1 -2.5 2.9 23.6 -10.3 32 32 A S - 0 0 32 -3,-0.2 3,-0.2 1,-0.1 -3,-0.0 -0.784 65.2-149.7 -89.8 122.4 4.0 24.4 -6.7 33 33 A E S S+ 0 0 153 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.741 87.6 10.5 -59.9 -20.7 2.4 22.1 -4.2 34 34 A R S S- 0 0 76 269,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.915 73.7-135.8-163.5 132.9 2.6 25.1 -1.8 35 35 A Q - 0 0 105 -2,-0.3 2,-0.6 -3,-0.2 -6,-0.0 -0.684 28.1-112.0 -93.7 143.8 3.4 28.8 -2.1 36 36 A L + 0 0 19 -2,-0.3 2,-0.2 2,-0.0 267,-0.0 -0.634 42.8 172.6 -76.8 112.4 5.7 30.7 0.3 37 37 A T > - 0 0 65 -2,-0.6 3,-0.6 1,-0.1 4,-0.4 -0.562 42.2-107.8-111.9 178.8 3.7 33.2 2.4 38 38 A K G > S+ 0 0 42 1,-0.2 3,-1.0 -2,-0.2 46,-0.4 0.824 109.9 66.5 -82.4 -29.6 4.8 35.4 5.3 39 39 A N G 3 S+ 0 0 99 1,-0.2 -1,-0.2 44,-0.1 44,-0.1 0.313 94.9 64.2 -75.8 20.3 3.0 33.6 8.1 40 40 A M G < S+ 0 0 17 -3,-0.6 273,-2.8 272,-0.1 -1,-0.2 0.737 80.5 94.0-104.2 -34.2 5.3 30.7 7.4 41 41 A L E < -a 313 0A 2 -3,-1.0 2,-0.5 -4,-0.4 43,-0.4 -0.374 55.8-164.8 -65.8 132.7 8.5 32.5 8.4 42 42 A I E -a 314 0A 9 271,-2.7 273,-1.3 -2,-0.1 44,-0.2 -0.977 8.5-149.9-126.7 112.3 9.8 32.1 11.9 43 43 A F E -e 86 0B 3 42,-2.1 44,-1.6 -2,-0.5 2,-0.1 -0.737 9.3-141.7 -88.8 120.7 12.4 34.6 13.2 44 44 A P E -e 87 0B 5 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.486 16.3-159.8 -78.0 148.1 14.9 33.4 15.8 45 45 A L E -e 88 0B 4 42,-2.5 44,-3.2 -2,-0.1 2,-1.0 -0.990 15.6-153.9-136.7 131.2 16.0 35.8 18.5 46 46 A F E -ef 89 65B 31 18,-0.7 20,-0.8 -2,-0.4 2,-0.7 -0.755 19.2-166.1-103.8 87.0 19.0 35.8 20.8 47 47 A I E -ef 90 66B 0 42,-1.2 44,-2.9 -2,-1.0 20,-0.2 -0.696 8.3-154.7 -81.4 113.1 17.9 37.7 23.9 48 48 A S E -ef 91 67B 2 18,-3.8 20,-0.5 -2,-0.7 5,-0.1 -0.386 22.0-123.6 -81.4 155.3 20.9 38.6 26.1 49 49 A D S S+ 0 0 34 42,-1.7 18,-0.1 -2,-0.1 -1,-0.1 0.638 92.9 87.6 -79.9 -11.8 20.8 39.3 29.8 50 50 A N S > S- 0 0 79 41,-0.3 3,-3.6 1,-0.1 -2,-0.2 -0.755 75.8-148.7 -89.0 95.4 22.3 42.8 29.3 51 51 A P T 3 S+ 0 0 58 0, 0.0 18,-1.0 0, 0.0 16,-0.2 0.455 94.5 47.4 -43.4 -4.7 19.1 44.8 28.8 52 52 A D T 3 S+ 0 0 114 17,-0.1 15,-0.1 16,-0.1 -3,-0.0 0.457 86.2 126.0-118.6 -1.5 21.0 47.2 26.5 53 53 A D < + 0 0 12 -3,-3.6 14,-1.4 13,-0.2 17,-0.2 -0.039 17.9 153.8 -58.1 158.0 22.7 44.6 24.4 54 54 A F E +G 66 0B 68 12,-0.3 2,-0.5 11,-0.1 12,-0.3 -0.066 23.1 167.6 177.0 49.0 22.6 44.5 20.6 55 55 A T E -G 65 0B 63 10,-1.6 10,-1.8 1,-0.1 2,-0.2 -0.699 35.2-126.5 -85.2 117.4 25.9 42.8 19.8 56 56 A E E -G 64 0B 155 -2,-0.5 8,-0.2 8,-0.2 -1,-0.1 -0.439 24.5-160.7 -61.0 126.9 26.3 41.5 16.2 57 57 A I - 0 0 73 6,-1.9 2,-0.3 -2,-0.2 -1,-0.1 0.172 21.7-169.0 -88.5-141.6 27.3 37.8 16.2 58 58 A D + 0 0 108 1,-0.1 4,-0.1 2,-0.1 223,-0.0 -0.788 58.3 133.6 156.6 157.7 28.9 36.3 13.1 59 59 A S S S- 0 0 79 -2,-0.3 -1,-0.1 2,-0.2 226,-0.1 -0.106 119.3 -36.1 172.0 -21.2 30.3 33.9 10.6 60 60 A L S S+ 0 0 17 224,-0.1 -2,-0.1 225,-0.0 218,-0.0 0.077 110.4 132.4 162.7 0.3 28.5 35.7 7.8 61 61 A P - 0 0 16 0, 0.0 -2,-0.2 0, 0.0 -5,-0.0 -0.052 49.1-160.9 -66.5 169.9 25.4 36.6 9.8 62 62 A N + 0 0 102 -4,-0.1 2,-0.2 254,-0.1 -4,-0.0 -0.099 64.5 107.5-139.7 18.9 23.5 39.9 10.2 63 63 A I - 0 0 14 -18,-0.0 -6,-1.9 1,-0.0 2,-0.3 -0.535 51.3-158.8-100.6 161.3 21.8 38.6 13.3 64 64 A N E - G 0 56B 14 -8,-0.2 -18,-0.7 -2,-0.2 2,-0.6 -0.815 31.5-106.2-141.4-176.7 22.5 39.7 16.9 65 65 A R E -fG 46 55B 58 -10,-1.8 -10,-1.6 -2,-0.3 -18,-0.2 -0.862 51.2-177.5-109.8 75.7 22.5 39.4 20.7 66 66 A I E -fG 47 54B 3 -20,-0.8 -18,-3.8 -2,-0.6 2,-0.3 -0.283 14.3-139.1 -81.6 165.8 19.7 41.9 21.6 67 67 A G E >> -f 48 0B 0 -14,-1.4 3,-2.8 -20,-0.2 4,-1.4 -0.916 31.0 -98.7-129.3 155.0 18.5 42.9 25.0 68 68 A V T 34 S+ 0 0 27 -20,-0.5 4,-0.2 -2,-0.3 -16,-0.1 0.440 119.9 51.8 -48.8 -7.4 15.1 43.6 26.6 69 69 A N T 34 S+ 0 0 107 -18,-1.0 -1,-0.3 -19,-0.2 -17,-0.1 0.542 111.1 42.8-112.1 -5.7 15.5 47.3 26.1 70 70 A R T X> S+ 0 0 113 -3,-2.8 3,-1.5 -17,-0.2 4,-1.5 0.556 93.4 90.5-107.0 -15.3 16.4 47.4 22.4 71 71 A L H 3X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.3 5,-0.4 0.773 74.6 60.6 -48.4 -48.7 13.7 44.8 21.6 72 72 A K H 3> S+ 0 0 88 1,-0.2 4,-0.6 -4,-0.2 -1,-0.3 0.677 109.5 43.5 -64.4 -15.2 10.8 47.2 20.9 73 73 A D H <4 S+ 0 0 105 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.857 112.9 48.3 -95.5 -39.9 12.7 48.8 18.0 74 74 A Y H X S+ 0 0 44 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.917 119.3 39.3 -61.6 -49.2 14.1 45.6 16.4 75 75 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.872 103.5 69.3 -69.6 -46.1 10.8 43.8 16.4 76 76 A K H X S+ 0 0 99 -4,-0.6 4,-2.0 -5,-0.4 5,-0.2 0.869 101.0 42.9 -43.8 -56.7 8.5 46.8 15.5 77 77 A P H > S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.970 117.0 48.7 -58.4 -52.0 9.6 47.3 11.9 78 78 A L H <>S+ 0 0 14 -4,-0.8 5,-1.0 1,-0.2 3,-0.5 0.927 110.0 49.6 -49.6 -59.8 9.5 43.6 11.2 79 79 A V H ><5S+ 0 0 16 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.877 109.3 52.4 -52.6 -40.6 6.1 43.0 12.8 80 80 A A H 3<5S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.883 102.2 59.7 -65.1 -32.7 4.7 45.8 10.7 81 81 A K T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.289 135.7 -94.4 -75.5 10.2 6.3 44.1 7.7 82 82 A G T < 5 + 0 0 30 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.745 62.4 170.8 82.3 32.3 4.0 41.3 8.8 83 83 A L < - 0 0 5 -5,-1.0 -1,-0.2 -8,-0.2 -44,-0.1 -0.539 8.7-178.8 -73.7 130.3 6.1 39.0 11.0 84 84 A R + 0 0 139 -43,-0.4 43,-1.4 -46,-0.4 2,-0.3 0.606 55.8 17.9-107.5 -15.0 4.0 36.4 12.8 85 85 A S E - h 0 127B 10 -44,-0.4 -42,-2.1 41,-0.2 2,-0.3 -0.999 47.4-168.4-158.2 161.8 6.4 34.5 15.0 86 86 A V E -eh 43 128B 0 41,-1.7 43,-2.5 -2,-0.3 2,-0.6 -0.994 18.0-139.7-148.7 145.0 9.8 34.3 16.7 87 87 A I E -eh 44 129B 0 -44,-1.6 -42,-2.5 -2,-0.3 2,-0.3 -0.934 27.0-138.5-113.6 108.3 11.8 31.5 18.4 88 88 A L E -eh 45 130B 1 41,-2.5 43,-2.0 -2,-0.6 2,-0.4 -0.541 21.5-179.5 -75.2 134.6 13.6 32.7 21.5 89 89 A F E -e 46 0B 16 -44,-3.2 -42,-1.2 -2,-0.3 2,-0.3 -0.990 21.1-144.8-128.9 107.0 17.2 31.7 22.4 90 90 A G E -e 47 0B 0 -2,-0.4 -42,-0.2 -44,-0.2 46,-0.1 -0.598 9.8-163.7 -82.0 143.0 18.4 33.2 25.7 91 91 A V E -e 48 0B 30 -44,-2.9 -42,-1.7 -2,-0.3 2,-0.6 -0.770 3.4-164.0-128.4 88.6 22.0 34.3 26.2 92 92 A P + 0 0 10 0, 0.0 5,-0.1 0, 0.0 -44,-0.1 -0.590 15.6 169.3 -74.3 115.3 22.9 34.8 29.9 93 93 A L + 0 0 89 -2,-0.6 -45,-0.0 3,-0.1 4,-0.0 0.528 33.4 123.7-103.4 -7.6 26.2 36.8 30.0 94 94 A I S > S- 0 0 82 1,-0.2 3,-0.7 2,-0.1 4,-0.2 -0.173 72.7-116.0 -53.4 142.5 26.2 37.6 33.8 95 95 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.526 102.2 33.2 -64.4 -4.5 29.3 36.3 35.5 96 96 A G T 3 S+ 0 0 69 1,-0.1 -2,-0.1 3,-0.0 -3,-0.1 -0.226 83.9 93.2-151.4 66.2 27.6 33.8 37.7 97 97 A T < + 0 0 25 -3,-0.7 7,-0.6 -5,-0.1 2,-0.1 0.521 60.4 85.4-129.9 -13.4 24.6 32.0 36.3 98 98 A K + 0 0 81 -4,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.484 53.8 136.8 -89.4 164.0 25.6 28.8 34.6 99 99 A D B > -k 138 0C 35 38,-1.1 3,-1.2 -2,-0.1 40,-0.7 -0.998 61.4 -54.0 179.8-173.5 26.0 25.5 36.6 100 100 A P T 3 S+ 0 0 86 0, 0.0 38,-0.1 0, 0.0 -2,-0.0 0.374 128.6 26.0 -69.9 5.7 25.6 21.8 37.1 101 101 A V T 3 S- 0 0 58 36,-0.3 4,-0.1 44,-0.1 37,-0.1 0.233 99.8-116.2-152.9 17.2 21.8 21.9 36.5 102 102 A G X + 0 0 0 -3,-1.2 3,-2.0 35,-0.3 4,-0.3 0.876 52.5 165.8 43.5 41.9 21.1 24.9 34.3 103 103 A T G > + 0 0 75 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.842 67.6 60.2 -53.3 -41.6 19.1 26.2 37.2 104 104 A A G > S+ 0 0 23 -7,-0.6 3,-0.7 33,-0.3 -1,-0.3 0.464 81.6 94.8 -69.8 -1.3 19.0 29.7 35.7 105 105 A A G < S+ 0 0 5 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.959 93.7 27.6 -55.4 -63.6 17.2 28.2 32.7 106 106 A D G < S+ 0 0 24 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.220 89.8 156.1 -86.0 13.8 13.6 28.9 33.7 107 107 A D X - 0 0 62 -3,-0.7 3,-2.2 1,-0.2 6,-0.4 -0.164 44.0-143.0 -46.3 111.6 14.8 31.9 35.7 108 108 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.769 102.2 48.6 -52.2 -22.9 11.9 34.3 36.1 109 109 A A T 3 S+ 0 0 71 4,-0.0 -2,-0.1 5,-0.0 -3,-0.0 -0.099 93.0 116.1-109.8 38.6 14.4 37.1 35.7 110 110 A G S <> S- 0 0 9 -3,-2.2 4,-2.9 -4,-0.1 5,-0.1 -0.614 79.1-104.2-105.6 164.4 16.2 35.7 32.7 111 111 A P T 4 S+ 0 0 9 0, 0.0 -63,-0.1 0, 0.0 5,-0.1 0.903 118.8 43.3 -46.8 -53.3 16.6 36.9 29.1 112 112 A V T >> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 3,-1.1 0.920 119.5 38.8 -63.4 -52.2 14.1 34.4 27.7 113 113 A I H 3> S+ 0 0 8 -6,-0.4 4,-0.7 1,-0.3 -1,-0.2 0.789 117.7 50.8 -72.0 -27.1 11.4 34.7 30.4 114 114 A Q H 3< S+ 0 0 87 -4,-2.9 -1,-0.3 2,-0.2 -2,-0.2 0.188 113.7 47.8 -91.2 11.3 12.0 38.5 30.5 115 115 A G H <> S+ 0 0 0 -3,-1.1 4,-1.8 -5,-0.1 -2,-0.2 0.580 106.4 54.6-116.3 -33.8 11.6 38.4 26.7 116 116 A I H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.681 111.5 45.8 -74.3 -24.4 8.5 36.3 26.7 117 117 A K H < S+ 0 0 111 -4,-0.7 -1,-0.2 2,-0.2 4,-0.2 0.723 109.1 55.4 -90.4 -27.1 6.7 38.8 29.0 118 118 A F H >> S+ 0 0 31 2,-0.2 4,-3.0 3,-0.1 3,-0.9 0.945 111.6 42.8 -68.7 -49.2 7.9 41.8 26.9 119 119 A I H 3X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 7,-0.2 0.927 104.8 61.4 -62.8 -51.4 6.5 40.4 23.7 120 120 A R H 3< S+ 0 0 117 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.574 119.2 31.0 -54.2 -10.9 3.1 39.3 25.2 121 121 A E H <4 S+ 0 0 120 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.725 124.4 37.4-116.7 -49.0 2.6 42.9 26.0 122 122 A Y H < S+ 0 0 123 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.705 136.2 22.2 -82.3 -15.4 4.3 45.2 23.5 123 123 A F >< + 0 0 14 -4,-2.6 3,-0.7 -5,-0.3 -1,-0.3 -0.533 65.8 165.8-147.2 71.5 3.4 42.8 20.7 124 124 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.553 74.6 66.8 -67.5 -4.8 0.4 40.7 21.7 125 125 A E T 3 S+ 0 0 122 -6,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.907 81.3 92.2 -80.0 -44.2 -0.0 39.7 18.0 126 126 A L S < S- 0 0 4 -3,-0.7 2,-0.4 -7,-0.2 -41,-0.2 0.020 72.8-129.9 -48.8 155.9 3.2 37.7 17.7 127 127 A Y E -h 85 0B 86 -43,-1.4 -41,-1.7 46,-0.0 2,-0.6 -0.948 22.0-140.0-115.1 123.2 3.4 34.0 18.3 128 128 A I E +h 86 0B 1 -2,-0.4 47,-3.4 44,-0.2 46,-0.7 -0.848 21.3 177.7-102.2 120.8 6.1 32.8 20.7 129 129 A I E -hi 87 175B 5 -43,-2.5 -41,-2.5 -2,-0.6 2,-0.5 -0.934 13.1-160.8-111.2 127.7 8.2 29.7 20.2 130 130 A C E -hi 88 176B 0 45,-2.5 47,-2.0 -2,-0.4 -41,-0.1 -0.936 16.3-131.1-116.4 125.0 10.9 29.0 22.9 131 131 A D E - i 0 177B 12 -43,-2.0 2,-0.6 -2,-0.5 -41,-0.2 -0.432 22.4-149.4 -67.5 139.4 13.9 26.7 22.3 132 132 A V E + i 0 178B 1 45,-2.9 47,-0.6 -43,-0.1 2,-0.3 -0.805 41.5 121.2-118.9 95.7 14.2 24.3 25.2 133 133 A C - 0 0 4 -2,-0.6 3,-0.2 45,-0.2 47,-0.1 -0.985 55.1-143.4-148.9 153.1 17.7 23.1 26.0 134 134 A L S >> S+ 0 0 2 -2,-0.3 3,-1.2 1,-0.2 4,-0.6 0.328 76.7 105.0 -95.9 4.4 20.1 23.2 28.9 135 135 A C G >4 S+ 0 0 26 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.924 84.3 35.6 -47.1 -61.8 23.0 23.8 26.4 136 136 A E G 34 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.329 115.2 54.9 -80.5 4.6 23.5 27.5 27.2 137 137 A Y G <4 S+ 0 0 10 -3,-1.2 -38,-1.1 5,-0.2 2,-0.4 0.347 89.0 89.8-121.2 10.0 22.8 27.4 30.9 138 138 A T B << S-k 99 0C 6 -3,-0.8 -40,-0.1 -4,-0.6 -41,-0.0 -0.847 70.8-135.8-110.8 144.0 25.2 24.7 32.0 139 139 A S S S+ 0 0 78 -40,-0.7 -1,-0.1 -2,-0.4 -41,-0.1 0.922 111.8 42.9 -57.4 -48.6 28.9 25.2 33.1 140 140 A H S S- 0 0 81 -41,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.842 106.5-133.1 -67.9 -32.0 30.0 22.3 31.1 141 141 A G + 0 0 35 1,-0.3 2,-0.1 -42,-0.2 -2,-0.1 0.509 53.4 147.8 90.2 7.1 27.8 23.5 28.2 142 142 A H - 0 0 74 2,-0.1 2,-1.7 1,-0.1 -1,-0.3 -0.424 59.0-113.7 -78.3 153.1 26.4 20.0 27.6 143 143 A C S S+ 0 0 32 -2,-0.1 79,-0.3 -3,-0.1 2,-0.2 -0.575 89.5 8.0 -84.8 74.0 22.9 19.4 26.4 144 144 A G S S- 0 0 0 -2,-1.7 2,-0.8 -10,-0.1 -2,-0.1 -0.776 99.4 -57.9 141.1 175.2 21.6 17.7 29.6 145 145 A V - 0 0 13 -2,-0.2 8,-1.8 9,-0.2 12,-0.5 -0.830 61.3-140.9 -98.9 104.7 22.4 16.9 33.2 146 146 A L B -L 152 0D 41 -2,-0.8 6,-0.3 6,-0.3 5,-0.2 0.121 5.3-136.2 -61.7 156.7 25.6 14.8 33.2 147 147 A Y > - 0 0 149 4,-3.1 3,-0.9 3,-0.3 2,-0.5 -0.317 60.1 -42.8-100.7-174.5 26.8 11.8 35.2 148 148 A D T 3 S- 0 0 166 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.452 112.9 -39.1 -68.9 114.8 30.3 11.3 36.7 149 149 A D T 3 S+ 0 0 173 -2,-0.5 -1,-0.2 1,-0.2 2,-0.2 0.791 130.4 52.3 29.6 57.4 32.9 12.5 34.2 150 150 A G S < S+ 0 0 41 -3,-0.9 -3,-0.3 1,-0.3 -1,-0.2 -0.825 88.0 3.0-170.1-154.6 31.0 11.0 31.3 151 151 A T S S- 0 0 97 -2,-0.2 -4,-3.1 1,-0.2 -1,-0.3 0.412 72.8 -74.9 -47.9 165.4 27.6 11.0 29.7 152 152 A I B -L 146 0D 7 -6,-0.3 2,-1.6 1,-0.1 -6,-0.3 -0.504 36.1-130.0 -71.6 128.7 24.3 12.6 30.1 153 153 A N >> - 0 0 26 -8,-1.8 4,-2.3 -2,-0.3 3,-0.9 -0.646 28.4-160.2 -86.7 79.8 22.1 11.4 33.0 154 154 A R H 3> S+ 0 0 78 -2,-1.6 4,-2.9 1,-0.3 5,-0.3 0.725 78.9 42.7 -18.2 -87.4 19.0 10.9 30.9 155 155 A E H 3> S+ 0 0 128 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.777 118.1 47.0 -39.1 -48.0 16.1 10.8 33.4 156 156 A R H <> S+ 0 0 141 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.968 113.2 46.3 -65.2 -54.9 17.5 13.7 35.4 157 157 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -12,-0.5 -2,-0.2 0.876 117.5 46.2 -55.8 -36.4 18.2 15.9 32.4 158 158 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 5,-0.3 0.905 109.2 52.8 -72.5 -43.1 14.7 15.0 31.1 159 159 A S H X S+ 0 0 75 -4,-2.9 4,-0.6 -5,-0.3 -2,-0.2 0.849 114.5 45.0 -60.5 -32.4 13.2 15.6 34.5 160 160 A R H X S+ 0 0 45 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.851 109.9 53.9 -80.2 -37.5 14.9 19.0 34.4 161 161 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 3,-0.2 0.949 105.0 51.1 -64.0 -51.1 13.9 19.8 30.8 162 162 A A H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.836 107.2 59.7 -54.6 -32.0 10.1 19.3 31.2 163 163 A A H X S+ 0 0 34 -4,-0.6 4,-1.7 -5,-0.3 -1,-0.2 0.940 108.1 40.0 -59.8 -55.8 10.5 21.6 34.2 164 164 A V H X S+ 0 0 2 -4,-1.6 4,-2.6 -3,-0.2 -2,-0.2 0.896 111.6 59.4 -62.5 -43.9 11.8 24.6 32.2 165 165 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.892 110.0 41.0 -53.4 -46.7 9.3 23.8 29.3 166 166 A V H X S+ 0 0 11 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.841 111.2 57.8 -74.4 -30.0 6.3 24.2 31.6 167 167 A N H X S+ 0 0 49 -4,-1.7 4,-1.1 -5,-0.2 -2,-0.2 0.911 106.8 48.5 -65.3 -39.5 7.9 27.2 33.3 168 168 A Y H >X>S+ 0 0 1 -4,-2.6 5,-1.5 1,-0.2 3,-0.9 0.963 111.8 48.7 -61.4 -51.6 8.1 29.0 29.9 169 169 A A H 3<5S+ 0 0 10 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.744 108.6 53.6 -59.5 -29.5 4.5 28.1 29.1 170 170 A K H 3<5S+ 0 0 139 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.766 105.1 56.7 -76.4 -25.9 3.5 29.4 32.5 171 171 A A H <<5S- 0 0 16 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.657 131.4 -90.1 -76.8 -23.0 5.3 32.6 31.6 172 172 A G T <5S+ 0 0 13 -4,-0.8 -3,-0.2 1,-0.3 2,-0.2 0.483 74.2 145.3 124.5 5.5 3.2 33.1 28.5 173 173 A A < - 0 0 5 -5,-1.5 -1,-0.3 1,-0.1 -44,-0.1 -0.518 37.2-152.9 -75.5 138.5 5.0 31.4 25.6 174 174 A H S S+ 0 0 50 -46,-0.7 29,-2.0 -2,-0.2 2,-0.4 0.861 74.4 27.4 -78.8 -39.4 2.8 29.7 23.1 175 175 A C E -ij 129 203B 1 -47,-3.4 -45,-2.5 27,-0.2 2,-0.5 -0.968 58.3-157.5-132.6 149.0 5.2 27.0 21.9 176 176 A V E -ij 130 204B 0 27,-1.1 29,-1.0 -2,-0.4 -45,-0.2 -0.976 6.7-169.8-126.1 115.3 8.1 25.0 23.3 177 177 A A E -i 131 0B 0 -47,-2.0 -45,-2.9 -2,-0.5 2,-0.6 -0.889 12.4-152.2-109.6 100.9 10.6 23.4 21.0 178 178 A P E -i 132 0B 0 0, 0.0 29,-1.2 0, 0.0 2,-0.6 -0.620 10.1-172.5 -74.9 114.1 12.9 21.0 22.9 179 179 A S + 0 0 7 -2,-0.6 27,-0.0 -47,-0.6 -46,-0.0 -0.478 53.0 101.0-104.8 59.0 16.3 20.8 21.0 180 180 A D - 0 0 8 -2,-0.6 42,-0.2 2,-0.1 -1,-0.1 0.844 61.5-152.4-104.4 -63.3 17.8 18.0 23.0 181 181 A M + 0 0 11 1,-0.4 2,-0.4 -3,-0.2 3,-0.1 0.265 46.7 143.7 94.9 -0.7 17.7 14.7 21.3 182 182 A I > - 0 0 0 1,-0.1 3,-1.4 -39,-0.1 -1,-0.4 -0.534 62.6 -97.5 -72.5 117.8 17.7 13.0 24.7 183 183 A D T 3 S+ 0 0 72 -2,-0.4 -1,-0.1 1,-0.2 -25,-0.1 -0.043 97.2 5.8 -42.9 135.6 15.4 10.0 24.4 184 184 A G T 3> S+ 0 0 9 1,-0.1 4,-1.2 -3,-0.1 -1,-0.2 0.562 79.4 132.3 66.0 16.6 11.8 10.4 25.6 185 185 A R H <> + 0 0 1 -3,-1.4 4,-1.2 1,-0.2 -2,-0.1 0.555 67.7 58.1 -75.7 -5.0 11.7 14.1 26.4 186 186 A I H > S+ 0 0 0 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.878 102.6 51.1 -89.9 -36.3 8.5 14.7 24.5 187 187 A R H > S+ 0 0 140 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.889 116.2 44.0 -60.0 -41.9 6.4 12.2 26.5 188 188 A D H X S+ 0 0 38 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.853 113.9 46.9 -72.0 -44.1 7.7 13.9 29.6 189 189 A I H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.883 112.9 52.2 -69.1 -33.9 7.3 17.5 28.5 190 190 A K H X S+ 0 0 33 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.897 111.6 45.2 -64.9 -44.3 3.8 16.6 27.3 191 191 A R H X S+ 0 0 143 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.949 110.0 54.6 -64.2 -51.5 2.8 15.1 30.6 192 192 A G H X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.931 109.5 47.1 -48.1 -52.9 4.3 18.1 32.5 193 193 A L H <>S+ 0 0 0 -4,-2.3 5,-3.6 1,-0.2 6,-0.6 0.894 112.1 52.9 -57.5 -39.1 2.2 20.5 30.5 194 194 A I H ><5S+ 0 0 64 -4,-1.8 3,-2.3 4,-0.2 -2,-0.2 0.946 107.4 48.4 -61.0 -52.6 -0.8 18.2 31.2 195 195 A N H 3<5S+ 0 0 122 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.873 113.1 49.5 -55.9 -38.8 -0.3 18.2 35.0 196 196 A A T 3<5S- 0 0 31 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.198 114.6-120.7 -85.1 13.3 0.0 22.0 34.8 197 197 A N T < 5S+ 0 0 121 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.1 0.860 84.6 112.9 46.9 45.1 -3.2 22.1 32.7 198 198 A L >>< + 0 0 25 -5,-3.6 4,-1.1 -6,-0.1 3,-0.9 0.221 38.5 98.1-125.4 11.9 -1.3 23.8 29.9 199 199 A A T 34 S+ 0 0 30 -6,-0.6 5,-0.1 1,-0.2 -5,-0.1 0.662 79.1 56.4 -75.1 -20.1 -1.4 21.0 27.3 200 200 A H T 34 S+ 0 0 130 -7,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.335 115.6 34.8 -95.4 7.9 -4.4 22.6 25.4 201 201 A K T <4 S+ 0 0 129 -3,-0.9 2,-0.4 1,-0.1 -2,-0.2 0.504 100.3 81.0-133.3 -14.0 -2.7 25.9 24.8 202 202 A T < - 0 0 8 -4,-1.1 2,-0.7 -27,-0.1 -27,-0.2 -0.821 66.9-143.1-100.1 136.6 1.0 25.0 24.2 203 203 A F E -j 175 0B 50 -29,-2.0 2,-1.1 -2,-0.4 -27,-1.1 -0.862 11.5-143.9 -99.8 108.2 2.2 23.7 20.8 204 204 A V E -j 176 0B 0 -2,-0.7 41,-2.5 39,-0.3 42,-1.7 -0.607 19.9-177.1 -77.1 102.0 4.9 21.1 21.2 205 205 A L E -b 246 0A 5 -2,-1.1 2,-0.2 -29,-1.0 42,-0.2 -0.836 14.4-162.4-101.8 91.0 7.2 21.7 18.3 206 206 A S E -b 247 0A 0 40,-1.7 42,-3.1 -2,-0.9 2,-1.6 -0.538 27.3-134.0 -77.6 147.5 9.8 19.0 18.6 207 207 A Y E + 0 0 2 -29,-1.2 3,-0.5 -2,-0.2 40,-0.1 -0.396 41.4 163.8 -92.9 57.8 13.2 18.8 17.0 208 208 A A E + 0 0 0 -2,-1.6 2,-0.5 1,-0.2 -1,-0.2 0.795 67.0 38.2 -47.4 -38.1 12.5 15.2 15.9 209 209 A A E +b 249 0A 0 39,-1.8 41,-2.7 -3,-0.3 2,-0.7 -0.687 65.9 154.9-126.3 87.5 15.4 15.2 13.4 210 210 A K E -b 250 0A 32 -2,-0.5 14,-0.9 -3,-0.5 2,-0.1 -0.918 20.8-174.1-111.6 109.5 18.5 17.0 14.4 211 211 A F B -m 224 0E 0 39,-2.1 2,-0.5 -2,-0.7 13,-0.1 -0.299 22.8-110.9 -93.2 178.8 21.6 15.7 12.7 212 212 A S + 0 0 43 12,-1.3 2,-0.3 11,-0.1 11,-0.0 -0.960 50.7 125.4-121.5 125.1 25.3 16.5 13.1 213 213 A G S > S- 0 0 34 -2,-0.5 3,-0.9 12,-0.1 4,-0.3 -0.968 70.5 -82.4-162.9 172.6 27.4 18.4 10.6 214 214 A N T 3 S+ 0 0 105 -2,-0.3 5,-0.1 1,-0.3 -2,-0.0 0.192 102.2 90.0 -68.3 18.9 29.8 21.3 10.0 215 215 A L T 3 S+ 0 0 21 1,-0.1 63,-1.9 3,-0.1 64,-0.5 0.374 78.9 49.9-104.6 7.5 26.7 23.6 9.5 216 216 A Y S < S- 0 0 64 -3,-0.9 -2,-0.1 1,-0.7 -1,-0.1 0.840 131.2 -13.5-102.4 -45.6 26.1 24.9 13.1 217 217 A G S S- 0 0 41 -4,-0.3 -1,-0.7 60,-0.1 -4,-0.1 -0.926 86.9 -93.8-150.8 147.8 29.6 26.0 13.9 218 218 A P 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.229 360.0 360.0 -71.6 163.5 32.8 25.2 12.0 219 219 A F 0 0 134 -5,-0.1 -5,-0.0 -2,-0.0 0, 0.0 0.186 360.0 360.0 164.7 360.0 35.3 22.4 12.6 220 ! 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 0.0 221 234 A C 0 0 92 0, 0.0 2,-0.7 0, 0.0 -77,-0.1 0.000 360.0 360.0 360.0 159.8 25.6 14.6 23.6 222 235 A Y + 0 0 81 -79,-0.3 2,-0.3 -42,-0.2 -40,-0.0 -0.829 360.0 148.0 -94.8 112.2 22.9 12.7 21.6 223 236 A Q - 0 0 79 -2,-0.7 -12,-0.2 -42,-0.0 -11,-0.1 -0.900 44.5-112.4-151.0 117.3 22.9 13.8 17.9 224 237 A L B -m 211 0E 22 -14,-0.9 -12,-1.3 -2,-0.3 5,-0.0 -0.004 31.4-106.8 -49.8 140.8 22.0 11.6 14.8 225 238 A P > - 0 0 57 0, 0.0 3,-1.4 0, 0.0 7,-0.2 -0.518 24.5-125.2 -72.3 124.9 24.5 10.5 12.2 226 239 A P T 3 S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 -15,-0.1 0.696 113.4 43.9 -45.9 -18.3 24.1 12.4 8.9 227 240 A A T 3 S+ 0 0 90 1,-0.1 2,-1.5 2,-0.0 3,-0.2 0.700 82.6 101.3-101.4 -24.9 23.8 8.9 7.3 228 241 A G <> + 0 0 18 -3,-1.4 4,-1.0 1,-0.2 -1,-0.1 -0.462 36.9 157.2 -65.4 93.0 21.5 7.3 9.8 229 242 A R T 4 S+ 0 0 128 -2,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.652 70.1 56.5 -90.5 -19.9 18.3 7.6 7.7 230 243 A G T > S+ 0 0 44 -3,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.788 105.4 50.5 -81.1 -30.7 16.6 4.7 9.6 231 244 A L H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.944 104.4 57.3 -71.1 -47.3 17.1 6.4 13.0 232 245 A A H X S+ 0 0 1 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.727 108.7 48.3 -55.2 -24.4 15.6 9.7 11.8 233 246 A R H > S+ 0 0 96 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.868 111.8 46.9 -85.6 -36.0 12.4 7.8 10.9 234 247 A R H X S+ 0 0 179 -4,-1.4 4,-0.7 -3,-0.3 -2,-0.2 0.750 114.1 49.5 -72.9 -27.4 12.2 5.9 14.1 235 248 A A H X S+ 0 0 9 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.807 112.3 46.4 -81.2 -33.2 12.8 9.2 16.0 236 249 A L H X S+ 0 0 0 -4,-1.0 4,-1.8 -5,-0.3 -2,-0.2 0.931 113.9 48.1 -72.6 -46.2 10.1 11.0 14.0 237 250 A E H X S+ 0 0 118 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.757 113.1 51.4 -63.6 -26.6 7.7 8.2 14.5 238 251 A R H X S+ 0 0 61 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.914 109.5 44.8 -78.1 -47.7 8.5 8.2 18.2 239 252 A D H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 4,-0.3 0.784 109.9 58.8 -68.1 -26.7 8.0 11.9 18.9 240 253 A M H ><5S+ 0 0 57 -4,-1.8 3,-0.8 3,-0.2 -1,-0.2 0.928 110.4 40.1 -68.1 -44.0 4.8 11.8 16.9 241 254 A S H 3<5S+ 0 0 94 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.824 108.7 63.2 -72.3 -32.7 3.3 9.1 19.2 242 255 A E T 3<5S- 0 0 42 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.520 130.2 -87.0 -70.0 -7.6 4.7 10.8 22.3 243 256 A G T < 5 + 0 0 24 -3,-0.8 -39,-0.3 -4,-0.3 -3,-0.2 0.453 67.6 160.3 118.1 -3.0 2.6 13.9 21.6 244 257 A A < - 0 0 5 -5,-2.9 -1,-0.2 1,-0.2 -39,-0.2 -0.310 21.7-166.5 -57.4 134.1 4.6 16.2 19.2 245 258 A D S S+ 0 0 56 -41,-2.5 2,-0.3 1,-0.3 -40,-0.2 0.683 74.5 8.0 -92.1 -26.8 2.2 18.6 17.5 246 259 A G E S-b 205 0A 0 -42,-1.7 -40,-1.7 23,-0.2 2,-0.4 -0.944 72.2-134.8-148.7 163.5 4.8 19.7 14.9 247 260 A I E -bc 206 271A 0 23,-2.0 25,-3.5 -2,-0.3 2,-0.4 -0.985 6.6-151.1-131.5 141.2 8.2 18.5 13.9 248 261 A I E - c 0 272A 0 -42,-3.1 -39,-1.8 -2,-0.4 2,-0.4 -0.899 5.9-159.1-111.1 136.1 11.4 20.4 13.1 249 262 A V E -bc 209 273A 0 23,-2.6 25,-1.5 -2,-0.4 -39,-0.2 -0.939 21.6-139.8-111.2 128.7 14.0 19.1 10.6 250 263 A K E S+b 210 0A 18 -41,-2.7 -39,-2.1 -2,-0.4 2,-0.2 -0.934 73.2 21.0-160.7 137.5 17.6 20.5 10.9 251 264 A P S S- 0 0 0 0, 0.0 24,-0.2 0, 0.0 -40,-0.1 0.578 80.3-162.1 -61.9-175.5 19.6 21.3 9.2 252 265 A S S > S+ 0 0 0 22,-0.5 3,-2.5 -2,-0.2 7,-0.2 0.887 70.7 41.5-103.0 -77.5 17.4 21.9 6.2 253 266 A T G > S+ 0 0 47 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.859 118.0 49.3 -46.8 -43.7 18.9 22.1 2.7 254 267 A F G 3 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.512 115.7 44.7 -78.3 -2.0 21.2 19.3 3.3 255 268 A Y G <> + 0 0 22 -3,-2.5 4,-1.3 1,-0.1 -1,-0.2 -0.019 67.3 126.6-132.2 34.6 18.4 17.1 4.7 256 269 A L H <> S+ 0 0 37 -3,-1.0 4,-1.2 1,-0.2 3,-0.3 0.891 76.4 54.5 -59.5 -37.9 15.7 17.7 2.1 257 270 A D H >> S+ 0 0 91 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.935 107.9 49.9 -62.4 -41.5 15.3 14.0 1.6 258 271 A I H 3> S+ 0 0 4 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.752 105.9 56.0 -66.3 -24.0 14.8 13.6 5.4 259 272 A M H 3X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.3 -1,-0.3 0.736 105.7 53.9 -76.5 -23.2 12.2 16.4 5.1 260 273 A R H < S+ 0 0 113 -4,-1.0 3,-0.7 -3,-0.5 -2,-0.2 0.882 123.5 40.6 -86.6 -44.7 5.2 10.9 4.7 265 278 A I H 3< S+ 0 0 36 -4,-3.1 2,-0.8 1,-0.3 3,-0.3 0.976 125.2 33.9 -67.8 -58.1 5.7 9.7 8.3 266 279 A C T >< S+ 0 0 0 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.3 -0.400 78.2 151.3 -97.0 56.0 4.3 12.7 10.1 267 280 A K T < + 0 0 144 -2,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 0.807 69.2 44.7 -58.0 -38.7 1.7 13.4 7.5 268 281 A D T 3 S+ 0 0 141 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.240 101.6 85.1 -94.9 19.9 -1.0 15.0 9.7 269 282 A L S < S- 0 0 28 -3,-1.6 -23,-0.2 -6,-0.1 2,-0.1 -0.958 87.8-108.1-120.9 135.6 1.6 17.2 11.5 270 283 A P - 0 0 32 0, 0.0 -23,-2.0 0, 0.0 2,-0.5 -0.383 35.4-143.7 -59.3 126.2 3.0 20.6 10.4 271 284 A I E -c 247 0A 4 38,-0.3 40,-2.2 -25,-0.2 41,-1.0 -0.815 12.2-156.3 -96.7 130.3 6.6 20.0 9.2 272 285 A C E -cd 248 312A 0 -25,-3.5 -23,-2.6 -2,-0.5 2,-0.4 -0.920 2.5-152.4-111.6 131.2 9.0 22.8 10.0 273 286 A A E -cd 249 313A 0 39,-2.1 41,-3.3 -2,-0.5 2,-0.5 -0.810 7.6-158.4-100.4 136.0 12.3 23.5 8.1 274 287 A Y E - d 0 314A 6 -25,-1.5 2,-1.3 -2,-0.4 -22,-0.5 -0.964 9.3-150.2-119.6 116.3 15.2 25.2 9.9 275 288 A H - 0 0 0 39,-2.6 41,-0.3 -2,-0.5 5,-0.1 -0.685 28.1-139.3 -84.7 91.4 17.9 26.9 7.9 276 289 A V >> - 0 0 2 -2,-1.3 4,-2.3 1,-0.1 3,-0.9 -0.165 18.9-111.6 -53.4 144.4 20.9 26.4 10.2 277 290 A S H 3> S+ 0 0 37 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.777 117.7 62.1 -46.6 -32.3 23.3 29.4 10.6 278 291 A G H 3> S+ 0 0 17 -63,-1.9 4,-0.8 2,-0.2 -1,-0.3 0.962 107.3 41.0 -63.6 -48.5 25.9 27.4 8.8 279 292 A E H <> S+ 0 0 2 -3,-0.9 4,-2.3 -64,-0.5 3,-0.4 0.922 116.0 51.9 -63.7 -41.1 23.7 27.2 5.6 280 293 A Y H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.927 112.0 44.4 -58.7 -49.3 22.8 30.9 6.1 281 294 A A H X S+ 0 0 9 -4,-3.3 4,-1.3 1,-0.2 -1,-0.3 0.579 113.5 55.0 -72.3 -11.5 26.4 31.9 6.5 282 295 A M H X S+ 0 0 86 -4,-0.8 4,-1.6 -3,-0.4 -2,-0.2 0.785 105.1 48.2 -91.0 -34.9 27.1 29.7 3.5 283 296 A L H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.926 115.8 47.8 -68.8 -40.6 24.6 31.3 1.1 284 297 A H H X S+ 0 0 26 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.926 110.4 47.8 -62.4 -54.3 25.9 34.7 2.1 285 298 A A H X S+ 0 0 47 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.895 114.2 49.1 -56.2 -42.2 29.7 33.9 1.7 286 299 A A H <>S+ 0 0 28 -4,-1.6 5,-3.0 1,-0.2 6,-0.6 0.883 109.0 53.5 -64.1 -40.7 28.9 32.4 -1.7 287 300 A A H ><5S+ 0 0 25 -4,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.923 107.3 49.9 -63.3 -44.4 26.9 35.5 -2.6 288 301 A E H 3<5S+ 0 0 152 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.918 108.5 51.6 -63.4 -38.6 29.8 37.8 -1.8 289 302 A K T 3<5S- 0 0 174 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.173 116.7-120.8 -82.2 22.3 32.2 35.7 -3.9 290 303 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.800 73.6 132.9 40.5 50.1 29.6 36.1 -6.6 291 304 A V S > - 0 0 99 -2,-0.3 4,-2.1 1,-0.2 3,-1.0 -0.761 32.6-140.0 -84.0 114.8 22.8 35.9 -6.3 294 307 A L H 3> S+ 0 0 28 -2,-0.6 4,-2.3 1,-0.3 3,-0.2 0.869 101.1 48.7 -38.3 -60.1 21.6 35.6 -2.6 295 308 A K H 3> S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.823 112.9 49.8 -54.0 -35.7 18.0 36.5 -3.4 296 309 A T H <> S+ 0 0 79 -3,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.885 115.9 40.9 -71.5 -40.7 18.0 34.0 -6.2 297 310 A I H X S+ 0 0 37 -4,-2.1 4,-1.6 -3,-0.2 -2,-0.2 0.634 108.7 61.7 -82.6 -18.1 19.5 31.2 -4.0 298 311 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.912 108.8 40.7 -75.5 -42.3 17.3 32.2 -1.0 299 312 A F H X S+ 0 0 60 -4,-1.3 4,-2.5 2,-0.2 5,-0.3 0.924 115.7 49.6 -69.8 -48.3 14.0 31.5 -2.8 300 313 A E H X S+ 0 0 131 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.940 116.4 43.2 -53.2 -52.4 15.2 28.3 -4.5 301 314 A S H < S+ 0 0 15 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.737 118.2 45.0 -65.0 -33.6 16.6 27.0 -1.2 302 315 A H H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.673 110.2 51.8 -89.6 -19.6 13.5 28.0 0.7 303 316 A Q H X S+ 0 0 54 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.645 101.6 63.6 -87.7 -15.1 10.9 26.8 -1.8 304 317 A G H X S+ 0 0 1 -4,-0.8 4,-3.2 -5,-0.3 -1,-0.2 0.794 98.7 54.9 -73.2 -29.4 12.7 23.5 -1.7 305 318 A F H >>S+ 0 0 0 -4,-0.4 5,-2.5 2,-0.2 4,-0.9 0.947 112.4 41.8 -66.4 -47.5 11.7 23.4 2.0 306 319 A L H <5S+ 0 0 1 -4,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.861 118.8 45.1 -66.1 -41.4 8.1 23.8 0.9 307 320 A R H <5S+ 0 0 145 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.965 110.5 54.0 -67.1 -51.9 8.4 21.4 -2.0 308 321 A A H <5S- 0 0 8 -4,-3.2 -45,-0.3 -5,-0.1 -1,-0.2 0.680 134.6 -81.2 -55.4 -23.5 10.3 18.9 0.1 309 322 A G T <5S+ 0 0 11 -4,-0.9 -38,-0.3 1,-0.3 -3,-0.2 0.253 85.4 123.6 147.0 -27.7 7.4 18.9 2.6 310 323 A A < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -38,-0.2 -0.352 29.8-177.6 -73.4 146.6 7.5 21.9 5.0 311 324 A R S S+ 0 0 95 -40,-2.2 2,-0.3 -2,-0.1 -39,-0.2 0.223 75.3 47.9-121.2 3.4 4.8 24.4 5.6 312 325 A L E - d 0 272A 43 -41,-1.0 -39,-2.1 -7,-0.1 2,-0.4 -0.957 67.6-157.0-140.4 155.6 6.8 26.5 8.2 313 326 A I E -ad 41 273A 0 -273,-2.8 -271,-2.7 -2,-0.3 2,-0.9 -0.877 13.2-158.4-148.8 123.6 10.4 27.9 8.1 314 327 A I E +ad 42 274A 0 -41,-3.3 -39,-2.6 -2,-0.4 2,-0.3 -0.790 41.7 148.2 -94.9 105.0 12.9 29.0 10.8 315 328 A T > - 0 0 0 -273,-1.3 3,-0.6 -2,-0.9 -39,-0.1 -0.991 56.5-140.6-143.6 153.2 15.3 31.2 9.0 316 329 A Y T 3 S+ 0 0 14 -41,-0.3 4,-0.2 -2,-0.3 -1,-0.1 0.569 99.0 76.3 -81.6 -12.1 17.5 34.3 9.5 317 330 A L T 3> + 0 0 0 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 0.203 64.3 106.0 -85.2 17.7 16.4 35.5 6.1 318 331 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 5,-0.3 0.948 72.3 54.7 -62.7 -48.7 13.1 36.5 7.6 319 332 A P H 4 S+ 0 0 32 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.922 113.9 43.0 -49.6 -47.1 13.9 40.2 7.6 320 333 A E H > S+ 0 0 42 -4,-0.2 4,-2.1 1,-0.2 3,-0.4 0.805 111.7 52.4 -68.7 -38.4 14.6 39.9 3.8 321 334 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.913 99.3 60.8 -69.8 -41.9 11.6 37.7 3.0 322 335 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.746 113.2 43.0 -58.2 -16.1 9.0 39.9 4.6 323 336 A D H >> S+ 0 0 69 -3,-0.4 3,-1.9 -4,-0.4 4,-0.6 0.947 115.4 44.3 -85.4 -68.7 10.3 42.5 2.1 324 337 A W H >< S+ 0 0 38 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.810 104.7 61.9 -41.8 -55.6 10.6 40.3 -1.0 325 338 A L T 3< S+ 0 0 41 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.738 97.4 60.8 -51.9 -25.2 7.2 38.5 -0.6 326 339 A D T <4 S+ 0 0 114 -3,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.835 90.8 99.1 -71.6 -33.3 5.5 41.9 -0.9 327 340 A E << + 0 0 115 -3,-1.6 2,-0.2 -4,-0.6 -3,-0.0 -0.142 35.9 159.5 -63.1 153.3 6.9 42.4 -4.4 328 341 A E 0 0 191 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.527 360.0 360.0-145.2-164.5 5.4 41.8 -7.8 329 342 A N 0 0 211 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.770 360.0 360.0-108.1 360.0 6.8 43.4 -11.0