==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LYASE/DNA 25-OCT-06 2NOH . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.T.RADOM,A.BANERJEE,G.L.VERDINE . 313 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.9 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 . 4 1.3 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 . 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 1 1 2 1 3 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 10 A E 0 0 180 0, 0.0 2,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 139.5 25.6 -13.0 37.3 2 11 A F + 0 0 195 2,-0.1 160,-0.1 160,-0.0 0, 0.0 -0.645 360.0 30.0-111.7 169.4 25.5 -10.2 39.8 3 12 A G S S- 0 0 11 -2,-0.2 2,-0.1 158,-0.2 158,-0.0 -0.059 103.4 -28.4 76.3 179.4 26.3 -6.5 39.7 4 13 A H S S- 0 0 24 158,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.418 71.5-120.7 -68.2 141.2 26.0 -4.1 36.8 5 14 A R - 0 0 29 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.473 20.0-157.9 -84.9 155.5 26.4 -5.8 33.4 6 15 A T > - 0 0 39 -2,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.932 31.1-115.6-126.8 152.0 29.0 -4.9 30.7 7 16 A L T 4 S+ 0 0 49 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.855 118.2 46.4 -55.1 -35.1 28.7 -5.7 27.0 8 17 A A T 4 S+ 0 0 91 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.829 110.4 51.0 -78.2 -33.8 31.6 -8.0 27.4 9 18 A S T 4 S+ 0 0 54 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.893 123.5 21.4 -74.3 -42.4 30.5 -9.9 30.5 10 19 A T >< + 0 0 16 -4,-2.0 3,-2.4 1,-0.1 -1,-0.2 -0.428 69.1 166.7-128.2 61.6 27.0 -10.9 29.6 11 20 A P G > S+ 0 0 82 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.815 73.6 56.3 -38.7 -54.0 26.8 -10.8 25.7 12 21 A A G 3 S+ 0 0 63 1,-0.3 64,-0.6 64,-0.0 -5,-0.0 0.625 98.9 62.4 -62.6 -14.1 23.5 -12.7 25.4 13 22 A L G < S+ 0 0 30 -3,-2.4 55,-0.4 62,-0.1 2,-0.4 0.395 89.0 86.6 -94.9 5.7 21.7 -10.2 27.5 14 23 A W < - 0 0 11 -3,-1.8 2,-0.3 -4,-0.2 53,-0.2 -0.844 49.8-176.0-110.3 143.9 22.2 -7.2 25.2 15 24 A A E -A 66 0A 14 51,-2.6 51,-3.5 -2,-0.4 2,-0.3 -0.952 18.3-138.0-129.3 149.6 20.2 -6.0 22.3 16 25 A S E -A 65 0A 53 -2,-0.3 49,-0.2 49,-0.2 43,-0.1 -0.740 10.2-153.8-116.1 162.5 21.1 -3.1 20.0 17 26 A I E -A 64 0A 6 47,-1.7 47,-2.3 -2,-0.3 2,-0.1 -1.000 38.8-108.1-127.3 125.1 19.4 -0.2 18.3 18 27 A P E +A 63 0A 99 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.368 60.3 146.6 -55.3 125.8 21.1 1.2 15.1 19 28 A C - 0 0 3 43,-2.5 41,-0.2 -2,-0.1 2,-0.1 -0.683 35.3-150.2-168.9 108.3 22.6 4.5 16.2 20 29 A P >> - 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-1.1 -0.425 31.8-113.5 -78.4 158.5 25.8 6.2 15.0 21 30 A R T 34 S+ 0 0 76 40,-1.2 41,-0.1 1,-0.3 40,-0.1 0.758 115.8 68.2 -62.6 -23.6 27.7 8.5 17.3 22 31 A S T 34 S+ 0 0 46 1,-0.2 96,-0.9 95,-0.1 -1,-0.3 0.685 106.7 41.8 -68.3 -15.3 26.8 11.4 15.1 23 32 A E T <4 S+ 0 0 22 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.690 129.7 8.4-102.2 -24.8 23.2 10.8 16.4 24 33 A L < - 0 0 0 -4,-1.1 2,-0.5 95,-0.1 -1,-0.3 -0.914 45.5-175.2-163.4 132.5 24.0 10.2 20.0 25 34 A R >> - 0 0 55 93,-2.0 3,-1.6 -2,-0.3 4,-1.0 -0.934 12.2-163.6-126.9 100.7 26.9 10.4 22.5 26 35 A L H >> S+ 0 0 3 -2,-0.5 4,-2.0 1,-0.3 3,-0.8 0.883 89.7 57.4 -52.4 -41.3 25.8 9.0 25.9 27 36 A D H 34 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.2 13,-0.0 0.697 110.4 43.5 -67.1 -17.0 28.8 10.7 27.6 28 37 A L H <4 S+ 0 0 1 -3,-1.6 -1,-0.3 90,-0.1 -2,-0.2 0.528 123.2 35.7-102.5 -9.3 27.7 14.1 26.3 29 38 A V H X< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.8 5,-0.5 0.833 108.8 52.1-107.8 -55.5 24.0 13.7 27.1 30 39 A L T 3< S+ 0 0 2 -4,-2.0 8,-0.4 1,-0.2 3,-0.3 0.776 116.6 34.6 -61.1 -33.3 23.4 11.7 30.3 31 40 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.307 95.1 94.2-105.5 16.4 25.6 13.5 32.7 32 41 A S S < S- 0 0 8 -3,-1.3 -2,-0.1 1,-0.0 4,-0.1 0.192 105.4 -88.9 -94.1 16.1 25.1 17.0 31.2 33 42 A G S S+ 0 0 12 2,-0.5 3,-0.1 -3,-0.3 -3,-0.1 0.717 103.6 97.0 89.9 18.1 22.2 18.4 33.3 34 43 A Q S S+ 0 0 12 1,-0.5 2,-0.4 -5,-0.5 -4,-0.1 0.811 98.1 11.4 -97.6 -59.4 19.2 17.1 31.3 35 44 A S - 0 0 3 -6,-0.4 -1,-0.5 -5,-0.2 -2,-0.5 -0.920 59.7-163.8-116.3 145.0 18.4 14.0 33.4 36 45 A F S S+ 0 0 7 -2,-0.4 113,-0.1 -3,-0.1 -1,-0.1 0.212 71.9 87.8-112.3 16.1 20.1 13.4 36.8 37 46 A R + 0 0 25 12,-0.1 12,-0.5 -7,-0.1 2,-0.4 0.293 67.5 90.2 -98.2 8.4 19.2 9.7 36.9 38 47 A W - 0 0 9 -8,-0.4 2,-0.4 -3,-0.2 10,-0.2 -0.899 46.0-178.4-116.6 138.6 22.2 8.2 35.1 39 48 A R E -B 47 0A 94 8,-2.2 8,-2.8 -2,-0.4 2,-1.8 -0.990 31.5-130.9-131.9 137.7 25.6 7.0 36.4 40 49 A E E + 0 0 100 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.615 35.2 172.7 -84.6 79.4 28.6 5.5 34.5 41 50 A Q E S+ 0 0 82 -2,-1.8 -1,-0.2 4,-0.4 5,-0.1 0.756 70.1 17.7 -62.8 -28.4 28.9 2.5 36.9 42 51 A S E > S-B 45 0A 20 3,-1.2 3,-3.0 -3,-0.2 -1,-0.1 -0.982 113.6 -68.6-139.9 147.4 31.5 0.9 34.7 43 52 A P T 3 S- 0 0 111 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.064 119.1 -4.7 -40.4 124.5 33.6 2.6 32.0 44 53 A A T 3 S+ 0 0 54 1,-0.1 2,-0.5 -4,-0.1 15,-0.4 0.453 110.4 110.3 68.0 3.8 31.4 3.6 29.1 45 54 A H E < -B 42 0A 22 -3,-3.0 -3,-1.2 13,-0.1 2,-0.5 -0.949 50.8-162.3-115.2 121.2 28.4 1.9 30.6 46 55 A W E - C 0 57A 18 11,-3.0 11,-2.5 -2,-0.5 2,-0.4 -0.883 5.2-169.6-108.2 125.3 25.5 4.0 31.9 47 56 A S E +BC 39 56A 1 -8,-2.8 -8,-2.2 -2,-0.5 2,-0.3 -0.879 23.9 120.6-115.2 143.9 22.9 2.7 34.3 48 57 A G E - C 0 55A 0 7,-2.1 7,-2.8 -2,-0.4 2,-0.5 -0.979 59.9 -70.4-179.2 176.8 19.6 4.3 35.3 49 58 A V E + C 0 54A 8 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.775 45.0 172.3 -93.0 126.1 15.8 4.0 35.5 50 59 A L E > S- C 0 53A 6 3,-3.0 3,-1.0 -2,-0.5 35,-0.1 -0.979 70.3 -11.1-137.0 120.1 14.0 4.3 32.2 51 60 A A T 3 S- 0 0 63 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.908 128.9 -54.1 57.7 45.3 10.3 3.7 31.8 52 61 A D T 3 S+ 0 0 129 1,-0.2 2,-0.3 116,-0.1 -1,-0.2 0.596 122.0 88.3 67.1 15.9 10.1 2.2 35.4 53 62 A Q E < S-C 50 0A 51 -3,-1.0 -3,-3.0 17,-0.1 2,-0.4 -0.946 79.9-107.9-136.7 158.2 12.8 -0.4 34.9 54 63 A V E +CD 49 69A 1 15,-1.1 15,-2.7 -2,-0.3 2,-0.3 -0.713 40.1 179.9 -89.0 138.3 16.6 -0.3 35.4 55 64 A W E -CD 48 68A 1 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.4 -0.940 22.2-151.5-134.3 156.5 18.8 -0.3 32.2 56 65 A T E -CD 47 67A 0 11,-2.1 11,-1.6 -2,-0.3 2,-0.4 -0.990 20.7-169.3-126.0 136.7 22.5 -0.2 31.3 57 66 A L E +CD 46 66A 0 -11,-2.5 -11,-3.0 -2,-0.4 2,-0.3 -0.966 14.2 160.0-130.1 145.4 23.4 1.4 28.0 58 67 A T E - D 0 65A 8 7,-1.9 7,-3.1 -2,-0.4 2,-0.3 -0.970 20.4-145.0-156.5 155.2 26.7 1.5 26.2 59 68 A Q E - D 0 64A 20 -15,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.942 11.5-164.2-136.4 155.3 27.6 2.2 22.6 60 69 A T - 0 0 58 3,-2.4 3,-0.4 -2,-0.3 -41,-0.1 -0.618 57.9 -73.7-115.5 179.3 29.9 1.2 19.8 61 70 A E S S+ 0 0 116 1,-0.2 -40,-1.2 -2,-0.2 3,-0.0 0.806 128.1 12.7 -48.1 -40.1 30.5 3.2 16.6 62 71 A E S S+ 0 0 114 -42,-0.2 -43,-2.5 -41,-0.1 2,-0.4 0.385 119.4 66.5-121.7 5.3 27.2 2.3 14.9 63 72 A Q E -A 18 0A 57 -3,-0.4 -3,-2.4 -45,-0.2 2,-0.7 -0.969 57.0-149.2-135.2 144.8 25.1 0.7 17.7 64 73 A L E -AD 17 59A 0 -47,-2.3 -47,-1.7 -2,-0.4 2,-0.4 -0.946 29.2-150.9-105.9 110.4 23.5 1.6 21.0 65 74 A H E -AD 16 58A 27 -7,-3.1 -7,-1.9 -2,-0.7 2,-0.4 -0.726 15.2-169.7 -88.8 132.2 23.6 -1.5 23.1 66 75 A C E +AD 15 57A 0 -51,-3.5 -51,-2.6 -2,-0.4 2,-0.3 -0.941 14.8 175.9-127.3 145.3 20.9 -2.0 25.7 67 76 A T E - D 0 56A 0 -11,-1.6 -11,-2.1 -2,-0.4 2,-0.4 -0.992 14.2-154.9-143.3 140.4 20.3 -4.4 28.6 68 77 A V E - D 0 55A 1 -55,-0.4 2,-0.6 7,-0.3 7,-0.4 -0.934 9.7-152.0-124.6 144.3 17.4 -4.4 31.1 69 78 A Y E D 0 54A 15 -15,-2.7 -15,-1.1 -2,-0.4 -2,-0.0 -0.951 360.0 360.0-112.4 111.0 17.0 -5.7 34.7 70 79 A R 0 0 104 -2,-0.6 3,-0.1 -17,-0.1 -17,-0.1 -0.385 360.0 360.0 -90.2 360.0 13.3 -6.5 35.3 71 ! 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 72 83 A S 0 0 154 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.2 12.4 -12.7 36.3 73 84 A Q - 0 0 103 -3,-0.1 -3,-0.0 2,-0.0 0, 0.0 0.769 360.0 -95.9 91.1 98.9 15.1 -14.7 34.6 74 85 A A + 0 0 61 -4,-0.1 2,-0.3 -5,-0.0 -5,-0.1 -0.044 57.9 151.5 -45.2 135.1 17.7 -12.6 32.7 75 86 A S - 0 0 52 -7,-0.4 -7,-0.3 -62,-0.2 -62,-0.1 -0.955 48.6 -84.6-163.9 150.3 17.1 -12.2 28.9 76 87 A R - 0 0 125 -64,-0.6 -62,-0.2 -2,-0.3 -9,-0.1 -0.081 61.4 -81.9 -55.9 158.2 17.9 -9.5 26.3 77 88 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 -0.319 46.7-125.3 -62.5 145.6 15.5 -6.6 25.9 78 89 A T > - 0 0 59 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.458 26.3-102.7 -87.7 165.1 12.4 -7.3 23.8 79 90 A P H > S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.898 123.1 51.8 -54.0 -42.8 11.4 -5.1 20.8 80 91 A D H > S+ 0 0 134 1,-0.2 4,-0.8 2,-0.2 3,-0.0 0.896 110.7 47.6 -62.0 -40.6 8.7 -3.4 22.8 81 92 A E H >> S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 3,-0.9 0.904 107.8 54.5 -68.1 -41.2 11.2 -2.5 25.6 82 93 A L H 3X S+ 0 0 26 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.816 100.7 62.4 -61.3 -29.1 13.7 -1.2 23.1 83 94 A E H 3X S+ 0 0 96 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.3 0.846 96.7 57.5 -63.4 -35.1 11.0 1.0 21.8 84 95 A A H S+ 0 0 61 -4,-2.6 5,-2.3 1,-0.2 6,-0.2 0.914 112.9 45.6 -53.8 -44.5 14.1 4.8 21.2 87 98 A K H ><5S+ 0 0 71 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.824 107.4 56.1 -70.3 -34.0 11.4 7.1 22.5 88 99 A Y H 3<5S+ 0 0 19 -4,-1.8 35,-3.3 1,-0.2 -1,-0.2 0.893 115.6 39.0 -64.9 -39.6 13.4 8.3 25.6 89 100 A F T 3<5S- 0 0 0 -4,-2.2 -1,-0.2 33,-0.2 -2,-0.2 0.299 106.3-130.5 -91.4 8.2 16.2 9.4 23.2 90 101 A Q T X 5 + 0 0 33 -3,-0.8 3,-2.0 -5,-0.2 -3,-0.2 0.875 37.4 176.1 42.0 50.1 13.7 10.7 20.6 91 102 A L T 3 < + 0 0 19 -5,-2.3 -1,-0.1 1,-0.3 4,-0.1 0.606 67.0 71.0 -60.6 -15.1 15.6 8.7 17.9 92 103 A D T 3 S+ 0 0 137 -6,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.768 80.4 85.6 -73.0 -24.8 13.1 9.7 15.2 93 104 A V S < S- 0 0 30 -3,-2.0 2,-0.9 -4,-0.1 3,-0.1 -0.692 84.8-136.3 -78.0 118.2 14.5 13.2 15.4 94 105 A T > - 0 0 67 -2,-0.6 4,-1.5 1,-0.2 3,-0.4 -0.677 17.6-169.1 -82.3 105.3 17.5 13.2 13.1 95 106 A L H > S+ 0 0 0 -2,-0.9 4,-3.0 1,-0.2 5,-0.3 0.878 83.9 60.6 -61.2 -40.2 20.3 15.0 14.9 96 107 A A H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 104.6 50.0 -56.0 -39.5 22.5 15.2 11.7 97 108 A Q H > S+ 0 0 131 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.885 112.2 47.2 -67.6 -39.2 19.8 17.2 10.0 98 109 A L H X S+ 0 0 24 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.938 111.1 49.8 -68.6 -46.5 19.5 19.6 12.9 99 110 A Y H X S+ 0 0 25 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.921 110.0 52.9 -57.5 -45.2 23.2 20.1 13.2 100 111 A H H X S+ 0 0 130 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.940 112.6 43.6 -56.3 -49.8 23.4 20.8 9.5 101 112 A H H >X S+ 0 0 85 -4,-2.0 4,-1.5 2,-0.2 3,-0.7 0.974 115.8 45.5 -60.5 -57.9 20.8 23.4 9.6 102 113 A W H 3X S+ 0 0 1 -4,-2.9 4,-1.0 1,-0.3 3,-0.5 0.915 113.2 51.1 -52.9 -46.3 22.0 25.2 12.8 103 114 A G H 3< S+ 0 0 5 -4,-3.0 7,-0.3 -5,-0.3 -1,-0.3 0.799 105.9 57.2 -62.5 -28.5 25.6 25.1 11.5 104 115 A S H << S+ 0 0 75 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.826 116.2 33.1 -71.7 -33.5 24.4 26.6 8.2 105 116 A V H < S+ 0 0 74 -4,-1.5 2,-0.3 -3,-0.5 -1,-0.2 0.415 122.4 49.3-102.5 -0.3 22.9 29.7 9.9 106 117 A D X - 0 0 9 -4,-1.0 4,-2.2 -5,-0.2 -1,-0.2 -0.804 57.5-170.2-146.1 98.9 25.4 29.9 12.7 107 118 A S H > S+ 0 0 98 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.819 91.4 52.4 -56.6 -35.8 29.2 29.8 11.9 108 119 A H H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 107.3 50.9 -69.3 -43.2 30.1 29.5 15.6 109 120 A F H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.930 106.7 55.8 -58.1 -44.4 27.7 26.5 16.1 110 121 A Q H X S+ 0 0 100 -4,-2.2 4,-1.2 -7,-0.3 -1,-0.2 0.903 107.3 49.9 -54.1 -43.3 29.3 24.8 13.1 111 122 A E H >X S+ 0 0 136 -4,-1.5 3,-0.7 2,-0.2 4,-0.6 0.965 115.7 40.2 -61.5 -53.5 32.7 25.2 14.8 112 123 A V H >X S+ 0 0 24 -4,-2.3 4,-1.5 1,-0.2 3,-1.5 0.905 107.9 63.8 -62.4 -41.3 31.6 23.7 18.1 113 124 A A H 3< S+ 0 0 6 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.795 90.9 67.1 -52.9 -33.0 29.5 21.1 16.4 114 125 A Q H << S+ 0 0 130 -4,-1.2 -1,-0.3 -3,-0.7 3,-0.2 0.861 112.3 30.6 -57.4 -38.3 32.6 19.6 14.9 115 126 A K H << S+ 0 0 69 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.2 0.608 120.4 51.6 -98.4 -15.4 33.8 18.5 18.3 116 127 A F >< + 0 0 30 -4,-1.5 3,-0.5 3,-0.0 -1,-0.2 -0.533 68.5 158.2-125.3 69.2 30.5 17.9 20.1 117 128 A Q T 3 + 0 0 92 -2,-0.3 -94,-0.1 -3,-0.2 -95,-0.1 -0.426 55.1 39.0 -83.1 161.9 28.4 15.6 17.9 118 129 A G T 3 + 0 0 0 -96,-0.9 -93,-2.0 1,-0.2 2,-1.0 0.615 67.1 142.1 77.1 13.4 25.6 13.5 19.3 119 130 A V < + 0 0 1 -3,-0.5 2,-0.2 -95,-0.2 -1,-0.2 -0.792 24.4 154.7 -91.8 105.6 24.1 16.0 21.8 120 131 A R - 0 0 0 -2,-1.0 2,-0.4 -95,-0.1 -30,-0.1 -0.758 44.3 -97.6-122.7 171.5 20.4 15.4 21.6 121 132 A L - 0 0 0 -2,-0.2 2,-0.2 -31,-0.1 181,-0.1 -0.776 28.1-136.4 -97.1 133.6 17.4 16.0 23.9 122 133 A L - 0 0 0 -2,-0.4 2,-0.8 -93,-0.1 -33,-0.2 -0.515 17.6-128.1 -78.8 152.5 16.0 13.2 26.0 123 134 A R - 0 0 83 -35,-3.3 124,-0.2 -36,-0.2 2,-0.2 -0.899 39.3-165.4-104.6 104.5 12.2 13.0 26.2 124 135 A Q - 0 0 2 122,-2.9 -89,-0.0 -2,-0.8 3,-0.0 -0.474 25.5 -98.3 -95.9 161.6 11.5 12.9 29.9 125 136 A D > - 0 0 80 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.557 35.2-127.6 -72.3 132.9 8.5 12.1 32.1 126 137 A P H > S+ 0 0 5 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.890 104.8 44.3 -49.8 -50.3 6.8 15.3 33.3 127 138 A I H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.954 115.2 46.6 -63.9 -50.0 6.9 14.6 37.0 128 139 A E H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.947 117.7 44.0 -56.4 -48.4 10.5 13.4 37.1 129 140 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.927 111.7 53.8 -63.2 -45.9 11.6 16.4 35.0 130 141 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.3 -2,-0.2 0.950 116.4 35.3 -55.8 -55.6 9.5 18.8 37.0 131 142 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.819 113.0 58.4 -73.8 -29.2 10.9 17.9 40.4 132 143 A S H < S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.4 3,-0.3 0.954 111.3 43.1 -64.3 -45.3 14.4 17.2 39.3 133 144 A F H >X S+ 0 0 6 -4,-2.4 4,-0.7 1,-0.2 3,-0.6 0.797 104.3 61.9 -72.9 -24.2 14.6 20.7 37.9 134 145 A I H >< S+ 0 0 0 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.888 107.1 49.4 -62.9 -33.4 13.0 22.2 41.0 135 146 A C T 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.642 100.6 67.9 -76.0 -15.8 16.0 20.7 42.7 136 147 A S T X4 + 0 0 16 -3,-0.6 3,-0.9 -4,-0.5 -1,-0.2 0.651 69.1 114.0 -81.6 -17.7 18.4 22.3 40.1 137 148 A S T << S- 0 0 27 -4,-0.7 3,-0.1 -3,-0.6 56,-0.1 -0.292 91.1 -5.9 -64.0 135.8 18.1 26.0 41.0 138 149 A N T 3 S+ 0 0 137 1,-0.2 2,-0.3 -2,-0.0 -1,-0.3 0.918 118.8 99.9 48.3 52.3 21.1 27.9 42.4 139 150 A N S < S- 0 0 35 -3,-0.9 2,-0.3 4,-0.0 -1,-0.2 -0.939 71.2-108.4-156.1 170.1 22.9 24.5 42.5 140 151 A N > - 0 0 93 -2,-0.3 4,-3.2 -3,-0.1 3,-0.3 -0.848 28.5-115.2-114.5 149.3 25.4 22.4 40.7 141 152 A I H > S+ 0 0 45 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.838 113.2 53.0 -46.6 -46.3 24.9 19.2 38.7 142 153 A A H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.951 115.8 39.8 -58.6 -49.1 27.0 17.0 41.0 143 154 A R H > S+ 0 0 99 -3,-0.3 4,-2.4 2,-0.2 3,-0.3 0.946 114.2 53.3 -64.9 -48.9 24.9 18.1 44.1 144 155 A I H X S+ 0 0 5 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.908 105.7 55.4 -51.7 -46.0 21.6 18.1 42.2 145 156 A T H X S+ 0 0 15 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.895 108.8 46.6 -56.7 -42.4 22.3 14.5 41.2 146 157 A G H X S+ 0 0 9 -4,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.913 111.2 51.7 -66.8 -42.6 22.8 13.4 44.8 147 158 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 110.1 48.6 -58.9 -47.7 19.6 15.3 45.9 148 159 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.885 111.7 50.3 -61.4 -39.9 17.5 13.6 43.2 149 160 A E H X S+ 0 0 67 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.924 112.4 45.3 -65.9 -43.6 18.9 10.2 44.2 150 161 A R H X S+ 0 0 80 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.848 111.1 55.3 -68.7 -31.5 18.2 10.6 47.9 151 162 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 5,-0.3 0.938 111.9 42.0 -64.2 -49.1 14.7 12.0 46.9 152 163 A C H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.870 112.5 54.4 -66.9 -37.8 13.9 8.8 44.9 153 164 A Q H < S+ 0 0 120 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.944 114.7 40.1 -61.4 -46.9 15.4 6.5 47.6 154 165 A A H < S+ 0 0 42 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.813 134.7 16.1 -73.8 -33.5 13.3 8.0 50.3 155 166 A F H < S+ 0 0 45 -4,-2.1 17,-0.5 -5,-0.2 -3,-0.2 0.452 105.3 88.0-124.1 0.8 10.0 8.4 48.4 156 167 A G S < S- 0 0 10 -4,-2.6 14,-0.1 -5,-0.3 2,-0.1 -0.713 83.0 -93.2-103.7 155.4 10.2 6.3 45.3 157 168 A P - 0 0 81 0, 0.0 12,-2.9 0, 0.0 2,-0.3 -0.368 42.0-115.0 -63.1 135.1 9.4 2.6 44.8 158 169 A R E +E 168 0B 145 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.558 38.3 175.6 -71.4 130.3 12.3 0.2 45.2 159 170 A L E - 0 0 46 8,-3.2 2,-0.3 1,-0.3 -1,-0.2 0.835 49.3 -40.0-100.3 -75.8 13.0 -1.5 41.9 160 171 A I E -E 167 0B 32 7,-0.5 7,-2.9 2,-0.0 2,-0.4 -0.964 47.0-121.0-151.7 166.6 16.1 -3.7 42.0 161 172 A Q E -E 166 0B 105 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.949 18.4-174.8-118.9 133.1 19.6 -3.8 43.5 162 173 A L E > -E 165 0B 14 3,-2.9 3,-2.8 -2,-0.4 2,-0.1 -0.992 68.7 -41.3-126.2 120.4 22.9 -4.1 41.5 163 174 A D T 3 S- 0 0 97 -2,-0.4 -160,-0.1 1,-0.3 -2,-0.0 -0.443 125.8 -28.2 57.6-126.1 26.1 -4.5 43.6 164 175 A D T 3 S+ 0 0 144 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.198 118.6 101.9-104.2 17.7 25.5 -2.0 46.4 165 176 A V E < -E 162 0B 37 -3,-2.8 -3,-2.9 2,-0.0 2,-0.6 -0.888 53.8-162.1-105.5 122.7 23.3 0.3 44.4 166 177 A T E -E 161 0B 52 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.905 13.1-146.8-104.3 118.9 19.5 0.2 44.9 167 178 A Y E -E 160 0B 19 -7,-2.9 -8,-3.2 -2,-0.6 -7,-0.5 -0.663 14.3-167.8 -87.9 140.7 17.5 1.7 42.1 168 179 A H E -E 158 0B 26 -2,-0.3 -10,-0.2 -10,-0.2 -119,-0.1 -0.930 21.3-120.2-125.9 148.1 14.2 3.5 42.9 169 180 A G - 0 0 2 -12,-2.9 -14,-0.1 -2,-0.3 3,-0.1 -0.399 49.3 -85.6 -77.9 164.0 11.4 4.7 40.6 170 181 A F - 0 0 28 -14,-0.1 -1,-0.1 1,-0.1 -42,-0.1 -0.503 54.7 -98.9 -72.6 141.0 10.7 8.4 40.7 171 182 A P - 0 0 3 0, 0.0 -15,-0.2 0, 0.0 2,-0.1 -0.136 34.0-121.5 -57.8 152.7 8.2 9.4 43.5 172 183 A S > - 0 0 59 -17,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.446 26.6-106.7 -88.1 167.6 4.5 10.0 42.7 173 184 A L H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 120.8 55.8 -59.8 -43.8 2.7 13.3 43.5 174 185 A Q H > S+ 0 0 119 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.912 108.5 46.5 -55.5 -45.9 1.0 11.6 46.4 175 186 A A H >4 S+ 0 0 31 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.927 115.3 45.7 -64.6 -44.0 4.2 10.6 48.0 176 187 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 112.9 51.2 -69.3 -27.8 5.8 14.0 47.5 177 188 A A H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 24,-0.2 -2,-0.2 0.606 90.4 116.9 -83.7 -12.2 2.6 15.7 48.8 178 189 A G S X< S- 0 0 16 -4,-0.9 3,-1.1 -3,-0.6 2,-0.1 0.113 76.8 -74.2 -53.7 167.2 2.6 13.5 51.9 179 190 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.398 110.7 3.5 -68.7 138.2 3.0 14.8 55.5 180 191 A E T 3> S+ 0 0 161 -3,-0.1 4,-2.0 -2,-0.1 5,-0.2 0.625 83.0 133.6 63.7 17.6 6.4 15.9 56.7 181 192 A V H <> S+ 0 0 2 -3,-1.1 4,-2.8 1,-0.2 5,-0.2 0.931 70.5 54.0 -61.8 -43.7 8.0 15.5 53.3 182 193 A E H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 108.3 47.8 -55.4 -50.7 9.7 18.9 53.6 183 194 A A H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 112.9 48.7 -58.5 -41.7 11.3 18.1 56.9 184 195 A H H X S+ 0 0 86 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.918 110.8 50.6 -65.7 -43.4 12.6 14.7 55.6 185 196 A L H <>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 6,-0.3 0.822 105.5 56.6 -65.5 -31.2 14.0 16.3 52.5 186 197 A R H ><5S+ 0 0 115 -4,-2.0 3,-1.7 1,-0.2 5,-0.4 0.915 106.2 49.7 -67.3 -39.2 15.8 19.0 54.6 187 198 A K H 3<5S+ 0 0 138 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.0 57.9 -68.7 -22.0 17.5 16.2 56.5 188 199 A L T 3<5S- 0 0 39 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.329 123.4-109.0 -88.0 7.2 18.4 14.7 53.1 189 200 A G T < 5S+ 0 0 32 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.713 76.4 133.9 76.9 24.8 20.2 18.0 52.3 190 201 A L > < - 0 0 0 -5,-2.2 3,-1.2 1,-0.2 -4,-0.2 0.530 48.4-157.5 -82.7 -3.2 17.8 19.6 49.7 191 202 A G T > - 0 0 29 -5,-0.4 3,-2.1 -6,-0.3 4,-0.3 -0.240 60.9 -16.6 62.9-151.2 18.0 23.0 51.5 192 203 A Y T >> S+ 0 0 93 1,-0.3 3,-0.9 2,-0.2 4,-0.9 0.673 127.0 74.9 -61.9 -16.8 15.2 25.5 50.9 193 204 A R H <> S+ 0 0 3 -3,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.718 75.9 79.2 -69.4 -18.2 14.1 23.5 47.8 194 205 A A H <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.899 95.2 46.5 -54.7 -40.5 12.6 20.9 50.2 195 206 A R H <> S+ 0 0 81 -3,-0.9 4,-3.7 -4,-0.3 5,-0.3 0.920 107.4 56.4 -68.7 -42.9 9.6 23.2 50.7 196 207 A Y H X S+ 0 0 78 -4,-0.9 4,-2.6 1,-0.2 5,-0.2 0.883 108.3 49.0 -55.0 -41.4 9.3 23.8 46.9 197 208 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.963 116.9 39.4 -63.7 -52.9 9.0 20.1 46.4 198 209 A S H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.962 119.3 47.3 -60.5 -52.9 6.4 19.6 49.1 199 210 A A H X S+ 0 0 23 -4,-3.7 4,-2.2 1,-0.2 -2,-0.2 0.875 113.3 47.2 -58.6 -43.1 4.5 22.8 48.2 200 211 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.881 109.8 52.9 -69.9 -36.1 4.5 22.1 44.4 201 212 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -24,-0.2 0.941 113.1 44.6 -63.5 -43.8 3.3 18.5 44.8 202 213 A R H X S+ 0 0 75 -4,-2.3 4,-3.6 -26,-0.2 5,-0.3 0.895 110.3 54.9 -67.0 -38.8 0.4 19.8 46.9 203 214 A A H X>S+ 0 0 12 -4,-2.2 5,-1.8 -5,-0.2 4,-1.5 0.897 110.3 45.3 -61.8 -41.9 -0.4 22.6 44.6 204 215 A I H <5S+ 0 0 0 -4,-2.1 6,-3.9 3,-0.2 5,-0.5 0.917 121.5 37.9 -67.5 -44.3 -0.7 20.3 41.6 205 216 A L H <5S+ 0 0 53 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.873 129.0 29.9 -76.1 -39.6 -2.8 17.7 43.4 206 217 A E H <5S+ 0 0 147 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.428 133.9 20.8-105.2 0.9 -4.9 20.1 45.5 207 218 A E T <5S+ 0 0 149 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.577 123.5 41.8-136.0 -31.9 -5.2 23.3 43.4 208 219 A Q S > S- 0 0 9 -6,-3.9 3,-1.8 1,-0.2 4,-0.8 -0.160 77.8 -21.5 76.9-168.6 -3.5 16.6 39.6 211 222 A L H >> S+ 0 0 71 1,-0.3 4,-2.7 2,-0.2 3,-0.8 0.813 125.6 67.7 -45.8 -43.0 -1.3 14.9 37.1 212 223 A A H 3> S+ 0 0 63 -3,-0.4 4,-2.0 1,-0.3 -1,-0.3 0.842 95.7 57.0 -49.7 -39.3 -3.8 15.5 34.3 213 224 A W H <> S+ 0 0 24 -3,-1.8 4,-0.6 -4,-0.2 -1,-0.3 0.877 112.4 39.8 -61.9 -40.6 -3.0 19.2 34.5 214 225 A L H X< S+ 0 0 0 -3,-0.8 3,-1.2 -4,-0.8 4,-0.3 0.954 114.6 50.5 -75.1 -50.5 0.7 18.7 34.0 215 226 A Q H >< S+ 0 0 94 -4,-2.7 3,-1.4 1,-0.3 4,-0.2 0.831 104.1 60.4 -57.3 -34.6 0.4 16.0 31.3 216 227 A Q H >X S+ 0 0 97 -4,-2.0 3,-2.3 -5,-0.3 4,-1.0 0.787 85.5 76.6 -65.1 -28.7 -2.0 18.1 29.3 217 228 A L T << S+ 0 0 5 -3,-1.2 -1,-0.3 -4,-0.6 8,-0.2 0.715 81.2 70.7 -56.0 -19.7 0.6 20.9 29.0 218 229 A R T <4 S+ 0 0 53 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.798 102.5 41.7 -67.5 -28.0 2.2 18.6 26.3 219 230 A E T <4 S+ 0 0 167 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.644 104.7 86.9 -90.7 -19.0 -0.7 19.4 24.0 220 231 A S S < S- 0 0 30 -4,-1.0 2,-0.1 1,-0.1 -3,-0.0 -0.222 89.5 -90.4 -75.9 169.3 -0.7 23.1 25.0 221 232 A S > - 0 0 48 1,-0.1 4,-3.4 4,-0.0 5,-0.3 -0.464 33.0-112.2 -81.1 153.8 1.4 25.8 23.4 222 233 A Y H > S+ 0 0 20 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.926 121.8 49.0 -48.3 -51.5 4.9 26.7 24.7 223 234 A E H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.895 114.3 47.7 -56.5 -40.9 3.6 30.1 25.9 224 235 A E H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.976 114.7 43.1 -64.1 -58.3 0.7 28.3 27.6 225 236 A A H X S+ 0 0 0 -4,-3.4 4,-2.6 -8,-0.2 5,-0.2 0.925 112.2 52.9 -55.1 -51.4 2.8 25.6 29.3 226 237 A H H X S+ 0 0 32 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.881 110.7 47.0 -55.0 -42.6 5.5 28.0 30.4 227 238 A K H < S+ 0 0 102 -4,-1.6 4,-0.4 -5,-0.3 -1,-0.2 0.921 111.5 52.0 -66.3 -42.7 3.0 30.3 32.1 228 239 A A H >< S+ 0 0 20 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 0.930 109.3 48.8 -59.2 -48.3 1.3 27.4 33.8 229 240 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.843 98.7 68.5 -62.2 -36.6 4.5 25.9 35.3 230 241 A C T 3< S+ 0 0 46 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.626 86.4 67.5 -61.7 -13.1 5.6 29.3 36.7 231 242 A I T < S+ 0 0 91 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.759 82.3 97.6 -78.3 -19.8 2.8 29.3 39.2 232 243 A L S X S- 0 0 4 -3,-1.8 3,-2.2 -4,-0.3 -32,-0.1 -0.457 88.6-102.7 -73.0 134.0 4.5 26.4 41.0 233 244 A P T 3 S+ 0 0 46 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.277 107.5 16.4 -55.6 131.2 6.7 27.1 44.0 234 245 A G T 3 S+ 0 0 20 1,-0.2 2,-0.7 -4,-0.1 -97,-0.1 0.339 99.9 114.6 85.9 -7.5 10.4 26.9 43.1 235 246 A V < + 0 0 10 -3,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.855 37.0 163.0-103.6 110.0 9.6 27.2 39.4 236 247 A G > - 0 0 39 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.331 57.5 -74.2-106.7-166.9 10.9 30.3 37.7 237 248 A T H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.887 129.7 46.4 -58.2 -42.9 11.4 31.2 34.0 238 249 A Q H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 114.7 44.1 -68.5 -48.7 14.5 29.0 33.7 239 250 A V H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 113.7 52.5 -62.2 -42.8 13.2 25.9 35.4 240 251 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 109.2 50.0 -59.7 -41.1 9.9 26.3 33.5 241 252 A D H X S+ 0 0 10 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.897 107.1 53.9 -65.1 -40.2 11.9 26.4 30.3 242 253 A C H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.950 111.7 45.8 -58.0 -47.5 13.9 23.3 31.2 243 254 A I H X>S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-1.5 0.924 111.3 51.2 -62.3 -46.6 10.6 21.4 31.7 244 255 A C H X5S+ 0 0 0 -4,-2.6 6,-2.1 3,-0.2 4,-0.6 0.937 117.1 40.3 -56.9 -47.4 9.0 22.7 28.5 245 256 A L H <5S+ 0 0 9 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.905 125.4 33.2 -67.9 -45.0 12.0 21.7 26.4 246 257 A M H <5S+ 0 0 12 -4,-2.8 -122,-2.9 -5,-0.3 -2,-0.2 0.582 135.2 14.2 -94.8 -10.7 12.8 18.4 28.1 247 258 A A H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.575 121.6 50.3-136.7 -20.9 9.4 17.0 29.1 248 259 A L S < + 0 0 10 -6,-2.1 3,-1.9 -7,-0.2 -1,-0.2 -0.758 22.0 176.7-113.9 81.0 8.6 22.5 23.3 251 262 A P T 3 S+ 0 0 27 0, 0.0 50,-2.5 0, 0.0 51,-0.9 0.636 76.4 59.9 -61.4 -12.3 11.8 22.3 21.2 252 263 A Q T 3 S+ 0 0 50 48,-0.2 2,-0.3 47,-0.2 47,-0.1 0.550 76.7 110.7 -91.9 -9.6 11.9 26.1 20.9 253 264 A A < - 0 0 0 -3,-1.9 -3,-0.1 45,-0.1 -4,-0.0 -0.523 51.5-165.2 -68.5 127.4 12.1 26.6 24.7 254 265 A V - 0 0 1 -2,-0.3 2,-0.2 50,-0.1 -12,-0.1 -0.915 11.2-144.4-119.3 104.9 15.6 28.0 25.6 255 266 A P - 0 0 16 0, 0.0 2,-0.7 0, 0.0 -17,-0.1 -0.491 14.4-151.5 -67.4 129.0 16.5 27.8 29.3 256 267 A V + 0 0 14 -2,-0.2 2,-0.2 4,-0.1 -18,-0.1 -0.899 32.7 143.7-110.4 110.1 18.6 30.9 30.1 257 268 A D > - 0 0 38 -2,-0.7 4,-1.7 -19,-0.1 5,-0.1 -0.548 68.4 -77.0-123.8-170.7 21.1 30.4 33.0 258 269 A V H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.894 128.4 57.3 -61.2 -40.7 24.6 31.7 33.6 259 270 A H H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 107.9 44.9 -55.5 -51.7 26.0 29.2 31.2 260 271 A M H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.822 112.1 54.3 -64.3 -30.0 23.9 30.4 28.3 261 272 A W H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.928 108.4 47.5 -68.3 -45.2 24.7 34.0 29.3 262 273 A H H X S+ 0 0 94 -4,-2.8 4,-3.2 1,-0.2 5,-0.4 0.932 113.2 49.2 -60.3 -45.3 28.5 33.3 29.1 263 274 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 5,-0.4 0.912 111.4 49.4 -59.0 -46.0 28.0 31.6 25.8 264 275 A A H X S+ 0 0 0 -4,-2.3 6,-2.2 3,-0.2 4,-1.3 0.934 118.2 38.3 -60.1 -49.1 26.0 34.6 24.5 265 276 A Q H X S+ 0 0 88 -4,-2.6 4,-0.8 4,-0.2 -2,-0.2 0.930 123.2 39.5 -70.0 -46.4 28.5 37.2 25.6 266 277 A R H < S+ 0 0 131 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.879 127.3 29.5 -73.6 -39.8 31.7 35.3 24.8 267 278 A D H < S+ 0 0 42 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.601 134.8 23.6-101.1 -11.6 30.7 33.7 21.5 268 279 A Y H < S- 0 0 48 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.1 0.356 91.3-126.7-131.0 0.1 28.2 36.1 20.0 269 280 A S < + 0 0 100 -4,-0.8 -4,-0.2 -6,-0.2 2,-0.1 0.851 50.4 175.1 53.0 36.1 29.2 39.4 21.7 270 281 A W + 0 0 26 -6,-2.2 -1,-0.2 -9,-0.1 -2,-0.1 -0.421 14.6 170.7 -76.8 147.7 25.5 39.6 22.7 271 282 A H - 0 0 120 -2,-0.1 8,-0.1 -3,-0.1 7,-0.1 -0.980 40.1 -94.1-152.8 146.2 24.1 42.3 25.0 272 283 A P + 0 0 19 0, 0.0 12,-0.1 0, 0.0 13,-0.0 -0.304 40.6 168.2 -61.4 146.7 20.5 43.3 25.9 273 284 A T S S+ 0 0 101 11,-0.1 11,-0.0 0, 0.0 0, 0.0 0.605 76.1 36.6-128.4 -38.0 19.0 46.1 23.8 274 285 A T S S+ 0 0 117 9,-0.1 10,-0.1 10,-0.1 9,-0.0 0.733 109.3 72.1 -89.9 -26.1 15.3 46.2 24.6 275 286 A S S S- 0 0 20 1,-0.1 3,-0.0 2,-0.1 0, 0.0 0.158 77.4-133.6 -71.9-163.6 15.8 45.4 28.3 276 287 A Q S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.675 74.4 71.4-122.7 -47.6 17.2 47.8 30.8 277 288 A A - 0 0 46 2,-0.1 4,-0.1 1,-0.1 -2,-0.1 -0.075 68.0-138.1 -68.4 172.2 19.8 46.0 32.9 278 289 A K S S+ 0 0 84 2,-0.1 -1,-0.1 -7,-0.1 3,-0.1 0.606 83.9 37.6-105.3 -20.7 23.2 44.9 31.7 279 290 A G S S- 0 0 28 1,-0.2 5,-0.2 -8,-0.1 6,-0.1 -0.487 110.4 -36.3-119.2-170.6 23.2 41.5 33.4 280 291 A P S S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.193 70.3 139.6 -51.5 133.6 20.7 38.7 34.1 281 292 A S > - 0 0 23 -4,-0.1 4,-3.3 -3,-0.1 5,-0.4 -0.944 68.3 -94.5-167.1 158.8 17.2 39.9 35.0 282 293 A P H > S+ 0 0 112 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.895 126.8 45.5 -51.9 -37.4 13.7 38.8 34.1 283 294 A Q H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.960 116.9 40.8 -68.4 -54.6 13.7 41.3 31.2 284 295 A T H > S+ 0 0 0 -5,-0.2 4,-2.7 1,-0.2 5,-0.2 0.860 113.0 55.6 -65.0 -36.0 17.2 40.5 29.8 285 296 A N H X S+ 0 0 41 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.935 108.4 47.5 -62.7 -45.4 16.7 36.8 30.3 286 297 A K H X S+ 0 0 95 -4,-1.6 4,-2.1 -5,-0.4 -1,-0.2 0.920 112.1 50.8 -61.4 -42.8 13.6 36.8 28.2 287 298 A E H X S+ 0 0 21 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.929 108.1 51.3 -61.3 -45.2 15.3 38.8 25.5 288 299 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.892 108.2 53.3 -59.7 -40.0 18.3 36.4 25.4 289 300 A G H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.921 109.5 47.6 -61.0 -43.3 15.8 33.5 25.0 290 301 A N H X S+ 0 0 83 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.881 108.9 55.7 -65.5 -35.7 14.2 35.3 22.0 291 302 A F H X S+ 0 0 53 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.943 107.7 47.5 -61.5 -48.1 17.7 36.0 20.6 292 303 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.874 111.3 52.2 -63.1 -34.5 18.6 32.3 20.6 293 304 A R H X S+ 0 0 52 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.909 109.2 47.6 -68.7 -39.4 15.2 31.5 19.0 294 305 A S H < S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.807 114.7 49.6 -70.5 -26.0 15.7 33.9 16.1 295 306 A L H < S+ 0 0 37 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.935 127.5 18.2 -76.3 -47.8 19.2 32.5 15.7 296 307 A W H < S- 0 0 2 -4,-2.5 3,-0.5 1,-0.2 -3,-0.2 0.650 94.0-148.2-103.2 -17.5 18.4 28.8 15.6 297 308 A G >< - 0 0 23 -4,-2.6 3,-1.8 -5,-0.4 -1,-0.2 -0.509 58.5 -5.2 91.1-157.5 14.7 28.6 14.8 298 309 A P T 3 S+ 0 0 95 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.687 136.2 43.0 -49.4 -32.6 12.0 26.0 15.9 299 310 A Y T >> S+ 0 0 85 -3,-0.5 4,-1.7 1,-0.2 3,-0.9 -0.071 72.7 131.0-110.1 33.8 14.5 23.7 17.6 300 311 A A H <> + 0 0 0 -3,-1.8 4,-2.5 1,-0.3 -48,-0.2 0.790 68.5 58.5 -55.3 -33.8 16.5 26.4 19.4 301 312 A G H 3> S+ 0 0 0 -50,-2.5 4,-1.6 -3,-0.2 -1,-0.3 0.877 105.6 50.1 -66.7 -35.3 16.3 24.6 22.7 302 313 A W H <> S+ 0 0 5 -3,-0.9 4,-1.2 -51,-0.9 -2,-0.2 0.900 110.5 48.7 -67.9 -41.6 18.0 21.6 21.1 303 314 A A H >X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 3,-0.6 0.920 109.6 53.0 -63.9 -43.2 20.8 23.8 19.7 304 315 A A H 3X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.863 102.5 59.3 -58.3 -37.9 21.3 25.5 23.1 305 316 A A H 3X S+ 0 0 15 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.839 102.5 53.3 -61.5 -35.2 21.7 22.0 24.6 306 317 A V H < S+ 0 0 16 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.788 105.3 54.6 -68.6 -27.4 30.4 24.6 27.9 312 323 A L H 3< S+ 0 0 54 -4,-1.7 2,-0.8 -3,-0.3 -1,-0.2 0.927 102.6 55.3 -70.0 -46.5 30.2 22.2 30.8 313 324 A R T 3< 0 0 138 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.075 360.0 360.0 -79.4 37.6 33.1 20.1 29.5 314 325 A Q < 0 0 148 -2,-0.8 -1,-0.2 -3,-0.8 -4,-0.0 -0.304 360.0 360.0-153.3 360.0 35.2 23.2 29.4