==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 14-JAN-13 4IR9 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.SHARMA,D.T.NAIR . 684 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 17.0 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 22 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 1 5 1 6 1 0 0 0 0 2 3 0 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 6 0 2 2 2 2 2 4 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 2 2 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 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 0 F G 0 0 133 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.9 16.1 -28.2 -57.5 2 1 F S - 0 0 81 109,-0.0 2,-0.2 144,-0.0 144,-0.1 -0.672 360.0-157.4 -84.4 134.6 15.3 -24.6 -58.5 3 2 F R - 0 0 47 142,-0.5 2,-0.5 -2,-0.4 106,-0.0 -0.530 13.8-127.7 -97.1 169.9 12.9 -24.0 -61.3 4 3 F K - 0 0 78 -2,-0.2 106,-2.7 141,-0.0 107,-0.5 -0.954 29.0-177.9-124.5 111.9 12.5 -21.1 -63.6 5 4 F I E -AB 109 144A 0 139,-3.1 139,-2.2 -2,-0.5 2,-0.4 -0.885 8.2-165.6-110.3 139.2 9.0 -19.6 -63.8 6 5 F I E -AB 108 143A 0 102,-2.5 102,-2.3 -2,-0.4 2,-0.5 -0.973 5.4-162.7-118.5 132.5 7.8 -16.8 -65.9 7 6 F H E -AB 107 142A 0 135,-2.4 135,-2.2 -2,-0.4 2,-0.4 -0.983 11.0-167.6-107.6 122.2 4.5 -15.0 -65.5 8 7 F V E +AB 106 141A 0 98,-2.1 98,-1.6 -2,-0.5 2,-0.4 -0.914 7.9 178.4-106.1 133.4 3.6 -12.9 -68.6 9 8 F D E -AB 105 140A 19 131,-2.8 131,-2.3 -2,-0.4 96,-0.2 -0.984 25.5-128.4-139.7 116.5 0.7 -10.4 -68.3 10 9 F M E > - B 0 139A 3 94,-2.0 3,-0.6 -2,-0.4 2,-0.3 -0.411 32.3-110.1 -65.3 150.3 -0.5 -8.1 -71.1 11 10 F D T 3 S- 0 0 3 127,-2.4 5,-0.3 1,-0.2 127,-0.2 -0.558 85.3 -20.2 -84.0 132.7 -0.7 -4.5 -70.1 12 11 F C T 3> S- 0 0 15 -2,-0.3 4,-3.3 3,-0.1 3,-0.4 0.843 87.3-164.6 42.9 48.8 -4.1 -2.8 -69.9 13 12 F F H <> + 0 0 13 -3,-0.6 4,-1.4 1,-0.3 5,-0.2 0.724 68.8 32.8 -48.3 -62.5 -5.3 -5.7 -71.9 14 13 F F H > S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.898 124.3 46.7 -64.1 -41.3 -8.8 -4.9 -73.3 15 14 F A H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.876 105.7 59.3 -69.1 -38.7 -8.0 -1.2 -73.6 16 15 F A H X S+ 0 0 17 -4,-3.3 4,-1.7 -5,-0.3 -1,-0.2 0.846 106.8 48.1 -53.5 -36.8 -4.6 -1.8 -75.2 17 16 F V H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.801 110.2 51.2 -81.5 -31.5 -6.4 -3.7 -78.1 18 17 F E H X S+ 0 0 13 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.893 111.5 47.1 -65.3 -44.4 -8.9 -0.9 -78.5 19 18 F M H < S+ 0 0 15 -4,-2.5 7,-0.3 2,-0.2 6,-0.2 0.838 111.1 50.9 -71.6 -33.3 -6.2 1.8 -78.7 20 19 F R H < S+ 0 0 54 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.957 112.4 47.4 -59.1 -50.4 -4.2 -0.2 -81.1 21 20 F D H < S+ 0 0 71 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.633 130.0 20.0 -69.0 -20.8 -7.2 -0.7 -83.3 22 21 F N >< - 0 0 82 -4,-1.2 3,-1.7 -5,-0.1 -1,-0.3 -0.675 69.3-165.4-150.5 97.1 -8.2 3.0 -83.2 23 22 F P G > S+ 0 0 86 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.487 76.9 80.3 -72.2 -1.4 -5.4 5.4 -82.2 24 23 F A G 3 S+ 0 0 79 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.612 91.1 61.5 -72.8 -9.2 -7.5 8.5 -81.4 25 24 F L G X S+ 0 0 21 -3,-1.7 3,-0.7 -6,-0.2 -1,-0.2 0.602 78.8 90.9 -86.5 -14.7 -8.1 6.6 -78.1 26 25 F R T < S+ 0 0 112 -3,-1.2 -1,-0.1 -7,-0.3 -2,-0.1 0.874 97.5 23.4 -48.6 -55.5 -4.4 6.6 -77.2 27 26 F D T 3 S+ 0 0 141 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.344 107.6 82.1-105.5 5.4 -4.1 9.8 -75.1 28 27 F I S < S- 0 0 74 -3,-0.7 2,-0.5 -4,-0.1 21,-0.2 -0.782 90.2 -98.2-108.3 151.2 -7.7 10.2 -74.0 29 28 F P + 0 0 11 0, 0.0 42,-2.2 0, 0.0 2,-0.3 -0.634 52.8 165.6 -73.8 125.9 -9.1 8.3 -71.0 30 29 F I E -e 71 0B 0 -2,-0.5 16,-2.3 40,-0.2 2,-0.3 -0.907 16.1-178.1-137.2 165.6 -11.1 5.2 -71.9 31 30 F A E -eF 72 45B 0 40,-2.1 42,-2.8 -2,-0.3 2,-0.5 -0.989 25.7-128.1-158.8 151.5 -12.5 2.1 -70.4 32 31 F I E +eF 73 44B 5 12,-2.0 11,-3.0 -2,-0.3 12,-1.4 -0.892 59.6 104.6-100.2 131.6 -14.3 -1.0 -71.3 33 32 F G E S- F 0 42B 11 40,-2.4 9,-0.2 -2,-0.5 2,-0.1 -0.927 70.1 -69.6 169.3 165.4 -17.4 -1.5 -69.1 34 33 F G - 0 0 32 7,-1.3 26,-0.1 -2,-0.3 39,-0.1 -0.417 55.6-101.7 -72.7 152.4 -21.2 -1.3 -69.0 35 34 F S > - 0 0 36 1,-0.1 5,-2.5 -2,-0.1 4,-0.3 -0.245 29.1-113.2 -64.1 162.0 -22.9 2.1 -69.1 36 35 F R T 5S+ 0 0 144 1,-0.2 3,-0.4 3,-0.2 25,-0.1 0.795 119.2 57.9 -70.8 -26.2 -24.3 3.5 -65.8 37 36 F E T 5S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.807 107.1 48.1 -71.4 -27.6 -27.8 3.1 -67.2 38 37 F R T 5S- 0 0 148 -3,-0.1 -1,-0.2 212,-0.0 -2,-0.2 0.536 117.7-118.9 -89.6 -1.9 -27.1 -0.6 -67.6 39 38 F R T 5 + 0 0 72 -3,-0.4 -3,-0.2 -4,-0.3 -2,-0.1 0.818 57.6 167.0 74.3 36.2 -25.7 -0.6 -64.0 40 39 F G < - 0 0 17 -5,-2.5 20,-2.9 19,-0.1 21,-0.4 -0.148 31.3-144.0 -84.0 170.4 -22.3 -1.6 -65.2 41 40 F V B -G 59 0C 73 18,-0.3 -7,-1.3 19,-0.1 2,-0.4 -0.807 33.8 -92.3-122.9 168.8 -18.8 -1.8 -63.8 42 41 F I E -F 33 0B 1 16,-2.2 15,-3.7 -2,-0.3 -9,-0.3 -0.746 25.5-170.2 -86.0 129.5 -15.5 -1.1 -65.4 43 42 F S E S- 0 0 63 -11,-3.0 2,-0.3 -2,-0.4 -10,-0.2 0.876 71.9 -33.3 -79.3 -46.4 -13.7 -4.1 -66.9 44 43 F T E -F 32 0B 12 -12,-1.4 -12,-2.0 11,-0.1 -1,-0.4 -0.981 56.1-145.0-167.3 168.8 -10.6 -2.1 -67.3 45 44 F A E -F 31 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 -30,-0.1 -0.944 19.5-115.4-139.0 157.8 -9.1 1.2 -68.1 46 45 F N >> - 0 0 3 -16,-2.3 4,-2.2 -2,-0.3 3,-0.8 -0.353 41.2 -98.0 -86.6 171.1 -6.2 2.8 -69.9 47 46 F Y H 3> S+ 0 0 93 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.923 120.7 57.8 -63.4 -42.8 -3.5 4.8 -68.2 48 47 F P H 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.872 113.2 42.4 -53.3 -29.3 -4.9 8.2 -68.9 49 48 F A H X4>S+ 0 0 0 -3,-0.8 5,-1.6 -19,-0.3 3,-1.1 0.813 107.3 57.6 -89.3 -33.5 -8.1 7.1 -67.1 50 49 F R H ><5S+ 0 0 60 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.829 93.3 71.2 -57.8 -35.7 -6.4 5.3 -64.1 51 50 F K T 3<5S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.798 98.9 48.1 -49.8 -32.9 -4.7 8.6 -63.5 52 51 F F T < 5S- 0 0 86 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.366 131.8 -91.9 -88.3 -3.9 -8.2 9.8 -62.3 53 52 F G T < 5S+ 0 0 22 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.468 73.2 150.1 108.3 1.3 -8.8 6.8 -60.1 54 53 F V < + 0 0 0 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.542 17.6 166.3 -74.9 133.8 -10.6 4.5 -62.5 55 54 F R > - 0 0 135 -2,-0.3 3,-1.2 -11,-0.1 -13,-0.3 -0.892 43.2 -82.4-137.2 164.6 -10.0 0.8 -61.8 56 55 F S T 3 S+ 0 0 65 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.406 114.9 27.1 -62.2 147.1 -11.4 -2.6 -62.8 57 56 F A T 3 S+ 0 0 79 -15,-3.7 -1,-0.2 1,-0.3 -14,-0.1 0.337 87.6 131.6 79.2 -5.5 -14.5 -3.5 -60.7 58 57 F M < - 0 0 15 -3,-1.2 -16,-2.2 -16,-0.2 -1,-0.3 -0.571 67.8-104.8 -74.3 135.2 -15.4 0.1 -60.1 59 58 F P B > -G 41 0C 66 0, 0.0 4,-1.8 0, 0.0 -18,-0.3 -0.338 25.5-126.5 -59.2 139.8 -19.1 1.0 -60.7 60 59 F T H > S+ 0 0 0 -20,-2.9 4,-2.2 1,-0.2 5,-0.3 0.895 109.2 60.1 -62.3 -38.6 -19.4 3.0 -63.9 61 60 F G H > S+ 0 0 24 -21,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.949 107.0 47.4 -44.0 -53.3 -21.3 5.7 -62.2 62 61 F M H > S+ 0 0 99 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.851 107.5 56.3 -63.0 -36.1 -18.3 6.2 -59.9 63 62 F A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.919 108.2 46.2 -60.7 -45.9 -15.9 6.2 -62.9 64 63 F L H < S+ 0 0 44 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.840 108.9 55.0 -71.2 -32.7 -17.6 9.1 -64.7 65 64 F K H < S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.967 116.7 39.6 -57.1 -50.2 -17.9 11.2 -61.4 66 65 F L H < S+ 0 0 76 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.773 134.6 20.1 -67.5 -30.2 -14.1 10.7 -61.1 67 66 F C >< - 0 0 0 -4,-1.9 3,-2.3 -5,-0.2 -1,-0.2 -0.616 66.8-178.3-146.7 80.9 -13.4 11.2 -64.9 68 67 F P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.658 81.0 56.4 -71.2 -15.6 -16.2 12.9 -66.6 69 68 F H T 3 S+ 0 0 151 2,-0.1 2,-0.1 -39,-0.0 -5,-0.1 0.244 76.8 144.1 -87.6 12.6 -14.7 12.7 -70.1 70 69 F L < - 0 0 12 -3,-2.3 2,-0.6 -6,-0.2 -40,-0.2 -0.320 44.1-145.4 -62.2 120.9 -14.4 9.0 -69.9 71 70 F T E -e 30 0B 59 -42,-2.2 -40,-2.1 -2,-0.1 2,-0.5 -0.816 17.4-152.0 -87.0 123.0 -15.0 7.3 -73.2 72 71 F L E -e 31 0B 50 -2,-0.6 -40,-0.2 -42,-0.2 -37,-0.1 -0.821 10.8-167.9-104.2 123.6 -16.8 4.0 -72.5 73 72 F L E -e 32 0B 24 -42,-2.8 -40,-2.4 -2,-0.5 3,-0.0 -0.817 21.3-143.1-108.2 149.7 -16.4 1.1 -74.9 74 73 F P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -42,-0.1 0.738 48.9-123.6 -83.4 -25.2 -18.6 -2.1 -74.8 75 74 F G - 0 0 25 1,-0.1 2,-0.5 -44,-0.1 -60,-0.0 0.165 6.1-119.4 95.0 149.1 -15.7 -4.3 -75.7 76 75 F R >> - 0 0 104 1,-0.1 4,-1.4 -62,-0.1 3,-0.9 -0.822 19.9-170.6-132.3 89.8 -15.1 -6.8 -78.5 77 76 F F H 3> S+ 0 0 111 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.755 82.2 57.0 -59.6 -31.5 -14.5 -10.2 -77.2 78 77 F D H 3> S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.873 105.9 53.5 -69.8 -33.0 -13.4 -11.9 -80.5 79 78 F A H <> S+ 0 0 10 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.886 110.1 46.0 -64.6 -40.2 -10.7 -9.3 -80.8 80 79 F Y H X S+ 0 0 3 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.908 114.2 48.2 -71.0 -43.0 -9.4 -10.1 -77.3 81 80 F K H X S+ 0 0 83 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.866 107.8 55.9 -61.1 -36.6 -9.5 -13.9 -78.0 82 81 F E H X S+ 0 0 140 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.971 113.0 42.3 -62.2 -45.0 -7.8 -13.3 -81.3 83 82 F A H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.899 111.9 53.6 -68.1 -42.1 -4.9 -11.7 -79.4 84 83 F S H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.962 108.5 49.8 -55.4 -52.7 -4.9 -14.2 -76.6 85 84 F N H X S+ 0 0 87 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.917 110.4 50.2 -56.0 -43.7 -4.6 -17.2 -79.0 86 85 F H H X S+ 0 0 63 -4,-1.7 4,-3.1 -5,-0.2 3,-0.2 0.955 109.4 50.4 -62.1 -47.7 -1.7 -15.5 -80.8 87 86 F I H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.879 111.5 48.4 -63.3 -35.8 0.2 -14.8 -77.6 88 87 F R H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.814 108.2 54.1 -70.0 -30.6 -0.2 -18.4 -76.4 89 88 F E H X S+ 0 0 82 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.959 108.7 51.0 -67.2 -41.7 1.0 -19.5 -79.8 90 89 F I H < S+ 0 0 0 -4,-3.1 3,-0.4 1,-0.2 4,-0.3 0.891 108.7 49.5 -57.7 -42.9 4.0 -17.3 -79.1 91 90 F F H >X S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.2 4,-1.4 0.911 103.1 61.8 -61.3 -43.2 4.6 -18.9 -75.7 92 91 F S H 3< S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.863 90.8 67.7 -52.5 -37.7 4.4 -22.3 -77.4 93 92 F R T 3< S+ 0 0 102 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.635 110.9 35.0 -55.8 -15.7 7.5 -21.4 -79.5 94 93 F Y T <4 S- 0 0 19 -3,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.635 130.6 -13.3-115.4 -22.7 9.5 -21.5 -76.3 95 94 F T < - 0 0 21 -4,-1.4 -1,-0.4 -3,-0.2 15,-0.1 -0.973 40.0-137.7-170.2 163.7 8.0 -24.3 -74.2 96 95 F S S S+ 0 0 99 -2,-0.3 2,-1.7 13,-0.2 -4,-0.1 0.441 82.3 98.2-107.1 -8.2 5.0 -26.5 -73.9 97 96 F R + 0 0 67 12,-0.4 12,-1.7 -6,-0.1 2,-0.4 -0.631 56.1 146.2 -79.8 82.5 4.9 -26.0 -70.1 98 97 F I E -C 108 0A 22 -2,-1.7 10,-0.2 10,-0.2 -10,-0.0 -0.981 29.9-176.9-128.7 128.6 2.1 -23.3 -70.3 99 98 F E E -C 107 0A 11 8,-2.4 8,-2.5 -2,-0.4 2,-0.2 -0.955 14.8-156.9-127.4 108.4 -0.6 -22.6 -67.8 100 99 F P E -C 106 0A 41 0, 0.0 6,-0.3 0, 0.0 3,-0.1 -0.674 13.9-176.3 -88.4 148.4 -3.0 -19.9 -68.9 101 100 F L E - 0 0 64 4,-1.7 2,-0.3 1,-0.4 5,-0.2 0.382 69.6 -23.7-116.6 -6.0 -5.0 -18.1 -66.2 102 101 F S E > S-C 105 0A 46 3,-0.9 3,-0.8 1,-0.1 -1,-0.4 -0.931 87.1 -67.6 178.7 179.9 -7.1 -15.9 -68.4 103 102 F L T 3 S+ 0 0 26 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.902 130.0 35.4 -49.2 -46.3 -7.0 -14.4 -71.9 104 103 F D T 3 S+ 0 0 25 -3,-0.1 -94,-2.0 -94,-0.1 2,-0.3 0.390 111.1 60.3 -99.8 3.1 -4.1 -12.1 -71.1 105 104 F E E < +AC 9 102A 30 -3,-0.8 -4,-1.7 -96,-0.2 -3,-0.9 -0.937 47.2 161.8-142.6 144.7 -1.9 -14.1 -68.7 106 105 F A E -AC 8 100A 0 -98,-1.6 -98,-2.1 -2,-0.3 2,-0.4 -0.972 29.1-129.0-158.6 155.4 0.1 -17.3 -68.4 107 106 F Y E -AC 7 99A 8 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.4 -0.836 23.0-165.8 -93.6 139.9 2.7 -19.1 -66.4 108 107 F L E -AC 6 98A 0 -102,-2.3 -102,-2.5 -2,-0.4 2,-0.6 -0.975 11.4-151.8-119.8 141.5 5.7 -20.7 -68.3 109 108 F D E +A 5 0A 6 -12,-1.7 -12,-0.4 -2,-0.4 -104,-0.2 -0.980 24.7 164.0-110.8 111.9 8.1 -23.3 -66.8 110 109 F V > + 0 0 2 -106,-2.7 3,-1.7 -2,-0.6 5,-0.1 0.077 35.5 115.9-118.8 14.4 11.3 -22.9 -68.6 111 110 F T T 3 S+ 0 0 35 -107,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.939 88.6 36.3 -41.3 -57.2 13.6 -24.7 -66.2 112 111 F D T 3 S+ 0 0 150 -3,-0.1 2,-0.4 -108,-0.1 -1,-0.3 -0.123 95.6 115.0 -97.0 38.6 14.4 -27.3 -68.9 113 112 F S < - 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0 0 4 -6,-1.0 2,-0.4 -4,-0.1 -1,-0.3 -0.918 58.7-130.3-125.9 145.6 -20.4 1.0 0.3 481 137 A T - 0 0 40 -2,-0.4 -127,-2.0 -127,-0.2 2,-0.3 -0.776 24.1-177.2 -95.4 140.0 -23.8 1.4 1.8 482 138 A A E -N 353 0G 1 -2,-0.4 2,-0.3 -129,-0.2 -129,-0.2 -0.759 12.6-146.7-119.7 172.1 -26.3 -1.4 1.8 483 139 A S E -N 352 0G 0 -131,-1.7 -131,-2.7 -2,-0.3 2,-0.3 -0.936 16.2-159.8-133.0 155.2 -29.9 -1.5 2.9 484 140 A A E -Np 351 505G 0 20,-1.7 22,-1.0 -2,-0.3 2,-0.4 -0.966 15.3-156.2-145.6 160.0 -31.8 -4.5 4.4 485 141 A G E -Np 350 506G 0 -135,-1.9 -135,-2.7 -2,-0.3 2,-0.4 -0.996 10.3-159.5-132.6 131.7 -35.2 -6.0 5.1 486 142 A V E +Np 349 507G 9 20,-2.1 22,-1.3 -2,-0.4 -137,-0.2 -0.927 28.5 145.3-107.2 138.0 -36.0 -8.6 7.8 487 143 A A E -N 348 0G 3 -139,-2.7 -139,-3.0 -2,-0.4 22,-0.1 -0.997 60.4-109.1-163.5 167.9 -39.1 -10.7 7.5 488 144 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -142,-0.2 0.737 105.1 28.8 -69.1 -25.4 -40.9 -14.0 8.0 489 145 A V S > S- 0 0 13 -141,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.938 86.0-107.3-139.5 161.3 -40.8 -14.6 4.2 490 146 A K H > S+ 0 0 42 84,-0.5 4,-2.2 86,-0.3 5,-0.1 0.893 111.7 49.3 -60.0 -45.8 -38.8 -13.7 1.1 491 147 A F H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 111.8 47.8 -69.2 -36.8 -41.1 -11.1 -0.5 492 148 A L H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.949 110.1 54.7 -65.9 -40.7 -41.7 -9.1 2.6 493 149 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -143,-0.3 0.921 109.9 46.7 -53.3 -43.2 -38.0 -9.2 3.2 494 150 A K H >X S+ 0 0 49 -4,-2.2 4,-0.6 2,-0.2 3,-0.5 0.951 113.6 45.9 -66.1 -54.8 -37.5 -7.7 -0.3 495 151 A I H >X S+ 0 0 8 -4,-2.6 3,-1.2 1,-0.2 4,-0.7 0.913 112.1 53.0 -53.4 -44.4 -40.2 -5.0 0.0 496 152 A A H 3< S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.2 4,-0.4 0.769 97.8 64.6 -65.8 -28.5 -38.8 -4.0 3.5 497 153 A S H << S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.5 7,-0.2 0.653 104.0 47.8 -69.1 -17.1 -35.3 -3.6 2.2 498 154 A D H X< S+ 0 0 80 -3,-1.2 3,-1.2 -4,-0.6 -1,-0.2 0.650 92.0 81.6 -89.3 -19.6 -36.5 -0.6 0.1 499 155 A M T 3< S+ 0 0 72 -4,-0.7 -2,-0.1 -3,-0.4 -1,-0.1 0.675 104.5 25.3 -71.3 -19.3 -38.4 1.1 2.9 500 156 A N T 3 S+ 0 0 87 -4,-0.4 -1,-0.3 4,-0.2 -16,-0.2 -0.490 97.2 177.4-133.3 54.9 -35.5 2.9 4.5 501 157 A K < + 0 0 47 -3,-1.2 2,-0.1 2,-0.1 -18,-0.1 -0.904 47.0 51.4-110.6 140.3 -33.1 3.1 1.5 502 158 A P S S- 0 0 64 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 0.474 131.8 -18.9 -75.6 157.1 -30.4 4.3 1.3 503 159 A N S S+ 0 0 90 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.894 111.7 88.8 53.9 57.2 -28.4 2.9 4.2 504 160 A G - 0 0 12 -7,-0.2 -20,-1.7 -22,-0.2 2,-0.2 -0.972 55.3-141.0-167.5 170.7 -31.1 1.7 6.5 505 161 A Q E -p 484 0G 20 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.787 3.4-155.3-139.3 178.4 -33.2 -1.3 7.3 506 162 A F E -p 485 0G 69 -22,-1.0 -20,-2.1 -2,-0.2 2,-0.3 -0.951 8.4-147.3-163.7 142.8 -36.7 -2.3 8.3 507 163 A V E -p 486 0G 36 -2,-0.3 2,-0.5 -22,-0.2 -20,-0.2 -0.865 6.0-167.4-124.5 136.7 -38.3 -5.2 10.1 508 164 A I - 0 0 3 -22,-1.3 -15,-0.0 -2,-0.3 -12,-0.0 -0.948 14.3-162.1-124.4 108.6 -41.7 -6.9 9.8 509 165 A T > - 0 0 59 -2,-0.5 4,-1.3 -22,-0.1 3,-0.4 -0.497 36.7-102.5 -76.9 160.4 -42.5 -9.3 12.6 510 166 A P T 4 S+ 0 0 82 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.869 122.6 54.9 -45.7 -46.3 -45.2 -12.0 12.1 511 167 A A T 4 S+ 0 0 90 1,-0.2 4,-0.4 2,-0.1 -3,-0.0 0.872 107.7 49.1 -59.3 -41.2 -47.6 -9.8 14.3 512 168 A E T >> S+ 0 0 98 -3,-0.4 4,-2.2 1,-0.2 3,-0.5 0.774 88.3 88.5 -69.0 -26.8 -47.1 -6.8 12.0 513 169 A V H 3X S+ 0 0 18 -4,-1.3 4,-2.3 -3,-0.4 -1,-0.2 0.828 84.9 48.3 -50.5 -47.3 -47.7 -8.6 8.7 514 170 A P H 3> S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.915 113.4 46.1 -65.1 -42.6 -51.5 -8.3 8.5 515 171 A A H <> S+ 0 0 77 -3,-0.5 4,-0.6 -4,-0.4 -2,-0.2 0.874 115.1 50.2 -59.1 -40.7 -51.6 -4.5 9.2 516 172 A F H < S+ 0 0 41 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.896 111.3 49.0 -63.8 -40.5 -48.7 -4.1 6.7 517 173 A L H >< S+ 0 0 3 -4,-2.3 3,-2.5 -5,-0.2 28,-0.6 0.907 94.0 70.5 -70.1 -50.7 -50.6 -6.1 4.1 518 174 A Q H 3< S+ 0 0 104 -4,-2.3 27,-0.8 1,-0.3 28,-0.2 0.760 112.6 29.0 -31.6 -47.1 -54.0 -4.4 4.2 519 175 A T T 3< S+ 0 0 101 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.185 87.0 126.5-107.0 7.2 -52.6 -1.2 2.5 520 176 A L < - 0 0 8 -3,-2.5 24,-2.0 50,-0.1 25,-0.3 -0.566 62.2-127.8 -78.3 113.1 -49.8 -2.7 0.5 521 177 A P B > -T 543 0J 42 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.479 13.7-130.9 -59.9 126.8 -50.1 -1.7 -3.1 522 178 A L G > S+ 0 0 3 20,-2.4 3,-1.7 1,-0.3 21,-0.1 0.808 104.7 69.9 -43.1 -31.6 -50.1 -4.8 -5.3 523 179 A A G 3 S+ 0 0 48 19,-0.4 -1,-0.3 1,-0.3 5,-0.2 0.710 89.1 63.4 -66.3 -20.8 -47.5 -3.0 -7.5 524 180 A K G < S+ 0 0 109 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.684 80.0 99.1 -73.0 -21.5 -45.0 -3.4 -4.6 525 181 A I S X S- 0 0 4 -3,-1.7 3,-2.2 -4,-0.4 -33,-0.1 -0.577 87.2-111.9 -70.5 120.0 -45.1 -7.2 -4.8 526 182 A P T 3 S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.159 106.3 31.2 -50.7 140.2 -42.1 -8.5 -6.8 527 183 A G T 3 S+ 0 0 66 1,-0.2 2,-0.8 -4,-0.1 5,-0.1 0.370 92.2 108.6 83.9 -5.7 -43.3 -9.9 -10.1 528 184 A V < + 0 0 13 -3,-2.2 -1,-0.2 -5,-0.2 2,-0.1 -0.892 49.7 164.8-105.4 101.4 -46.1 -7.4 -10.2 529 185 A G > - 0 0 39 -2,-0.8 4,-3.1 -3,-0.1 5,-0.3 -0.177 52.5 -69.9-104.8-161.5 -45.1 -5.1 -13.0 530 186 A K H > S+ 0 0 159 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 128.4 44.9 -70.1 -37.4 -46.8 -2.5 -15.1 531 187 A V H > S+ 0 0 121 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.936 117.4 44.2 -71.1 -46.6 -49.0 -4.8 -17.2 532 188 A S H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.972 115.0 49.4 -61.0 -47.2 -50.1 -6.9 -14.2 533 189 A A H X S+ 0 0 15 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.917 113.3 46.6 -58.8 -48.1 -50.7 -3.8 -12.0 534 190 A A H X S+ 0 0 60 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.865 111.2 51.4 -62.0 -35.4 -52.7 -2.2 -14.8 535 191 A K H X S+ 0 0 90 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.937 113.0 45.8 -70.1 -34.8 -54.7 -5.4 -15.4 536 192 A L H ><>S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 5,-2.0 0.964 107.2 57.4 -67.2 -51.8 -55.5 -5.6 -11.5 537 193 A E H ><5S+ 0 0 114 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.820 99.4 61.0 -40.9 -42.1 -56.4 -1.8 -11.4 538 194 A A H 3<5S+ 0 0 87 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.813 104.4 49.0 -62.1 -30.7 -59.0 -2.6 -14.0 539 195 A M T <<5S- 0 0 39 -3,-2.1 -1,-0.3 -4,-0.7 -2,-0.2 0.067 124.0-100.2 -94.1 22.3 -60.7 -5.0 -11.6 540 196 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.633 83.1 135.3 67.2 13.6 -60.8 -2.6 -8.6 541 197 A L < + 0 0 13 -5,-2.0 -1,-0.2 1,-0.2 -2,-0.2 -0.819 5.4 137.2-100.0 102.1 -57.7 -4.4 -7.2 542 198 A R + 0 0 139 -2,-0.8 -20,-2.4 1,-0.2 -19,-0.4 0.655 65.4 29.1-110.6 -27.3 -55.1 -1.9 -6.0 543 199 A T B > S-T 521 0J 9 -22,-0.3 4,-1.9 -21,-0.1 -1,-0.2 -0.863 78.7-109.5-129.0 163.6 -53.9 -3.5 -2.6 544 200 A C H > S+ 0 0 0 -24,-2.0 4,-2.1 -27,-0.5 -26,-0.2 0.786 122.3 64.5 -60.1 -26.0 -53.5 -6.9 -0.9 545 201 A G H > S+ 0 0 11 -27,-0.8 4,-1.1 -28,-0.6 3,-0.5 0.988 104.2 42.9 -50.9 -58.8 -56.4 -5.5 1.1 546 202 A D H 4 S+ 0 0 62 -28,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.825 113.0 53.9 -58.0 -38.0 -58.5 -5.5 -2.1 547 203 A V H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.801 98.4 61.1 -74.0 -33.0 -57.2 -9.0 -3.1 548 204 A Q H 3< S+ 0 0 57 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.918 100.0 56.7 -59.3 -38.7 -58.1 -10.7 0.2 549 205 A K T 3< S+ 0 0 100 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.2 0.249 94.3 103.5 -76.1 18.8 -61.8 -9.9 -0.4 550 206 A C S < S- 0 0 19 -3,-1.3 2,-0.2 17,-0.1 -3,-0.0 -0.805 78.3-109.6-118.3 138.9 -61.7 -11.7 -3.8 551 207 A D > - 0 0 91 -2,-0.3 4,-1.3 1,-0.2 3,-0.1 -0.434 24.7-145.8 -63.3 126.4 -62.8 -15.1 -5.1 552 208 A L H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.753 95.2 61.0 -69.2 -27.2 -59.7 -17.3 -5.7 553 209 A V H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 101.9 51.4 -66.8 -48.6 -61.3 -19.0 -8.8 554 210 A M H > S+ 0 0 52 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 110.7 50.1 -51.2 -44.8 -61.7 -15.7 -10.6 555 211 A L H X S+ 0 0 0 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.849 110.3 49.0 -68.2 -34.6 -58.0 -15.0 -9.9 556 212 A L H < S+ 0 0 62 -4,-1.8 -1,-0.2 7,-0.2 -2,-0.2 0.831 115.0 45.9 -70.4 -34.2 -57.1 -18.5 -11.2 557 213 A K H < S+ 0 0 174 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.963 117.2 40.9 -67.5 -53.8 -59.2 -17.8 -14.4 558 214 A R H < S+ 0 0 127 -4,-2.9 2,-0.3 -5,-0.2 -2,-0.2 0.570 129.2 21.8 -77.1 -15.9 -58.0 -14.3 -15.1 559 215 A F S < S- 0 0 23 -4,-1.1 0, 0.0 -5,-0.2 0, 0.0 -0.916 76.8-137.6-141.6 166.4 -54.3 -15.1 -14.3 560 216 A G S >> S- 0 0 46 -2,-0.3 3,-1.8 3,-0.1 4,-1.2 0.253 77.2 -20.5 -96.4-135.8 -52.5 -18.4 -14.2 561 217 A K H 3> S+ 0 0 177 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.843 137.3 64.1 -26.5 -45.6 -50.0 -19.6 -11.7 562 218 A F H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.826 93.5 57.3 -62.4 -37.1 -49.7 -15.8 -11.0 563 219 A G H <> S+ 0 0 1 -3,-1.8 4,-1.3 -8,-0.2 -1,-0.2 0.864 109.6 46.3 -61.7 -37.5 -53.3 -15.5 -9.8 564 220 A R H X S+ 0 0 111 -4,-1.2 4,-1.9 -3,-0.5 3,-0.4 0.965 113.7 47.4 -65.4 -55.8 -52.5 -18.2 -7.2 565 221 A I H X S+ 0 0 42 -4,-2.3 4,-2.5 1,-0.3 5,-0.3 0.874 111.2 52.6 -49.9 -48.7 -49.2 -16.5 -6.1 566 222 A L H X S+ 0 0 3 -4,-2.7 4,-1.5 1,-0.2 -1,-0.3 0.869 107.1 51.3 -58.2 -41.9 -51.0 -13.2 -5.9 567 223 A W H < S+ 0 0 66 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.908 114.7 44.7 -65.1 -38.4 -53.7 -14.6 -3.6 568 224 A E H ><>S+ 0 0 41 -4,-1.9 3,-2.9 2,-0.2 5,-1.5 0.959 110.7 47.3 -67.8 -63.8 -51.1 -16.0 -1.3 569 225 A R H ><5S+ 0 0 7 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.829 105.6 62.7 -51.2 -35.9 -48.6 -13.2 -0.9 570 226 A S T 3<5S+ 0 0 0 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.564 109.9 42.1 -60.7 -10.7 -51.7 -11.0 -0.3 571 227 A Q T < 5S- 0 0 76 -3,-2.9 -1,-0.3 2,-0.2 -2,-0.2 0.195 123.3-101.9-121.7 6.4 -52.1 -13.2 2.7 572 228 A G T < 5S+ 0 0 15 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.111 77.9 134.0 92.8 -20.2 -48.5 -13.4 3.9 573 229 A I < + 0 0 65 -5,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.443 13.1 140.5 -75.9 131.0 -47.9 -16.9 2.5 574 230 A D - 0 0 1 -2,-0.2 -84,-0.5 -3,-0.1 2,-0.2 -0.516 23.8-172.9-168.3 93.3 -44.6 -17.3 0.6 575 231 A E + 0 0 119 -2,-0.1 2,-0.2 -86,-0.1 -86,-0.1 -0.579 35.1 92.9 -92.8 160.3 -42.6 -20.5 0.9 576 232 A R - 0 0 100 -2,-0.2 -86,-0.3 -86,-0.0 2,-0.2 -0.280 47.0-147.9 130.5 153.5 -39.1 -21.2 -0.5 577 233 A D - 0 0 84 1,-0.3 -136,-0.1 -2,-0.2 -229,-0.0 -0.673 33.0 -63.7-138.7 179.5 -35.7 -20.7 0.9 578 234 A V - 0 0 16 -2,-0.2 -1,-0.3 1,-0.1 -136,-0.2 0.125 36.2-178.9 -67.1-173.3 -32.2 -19.9 -0.2 579 235 A N + 0 0 89 -138,-0.5 2,-2.2 3,-0.0 -137,-0.2 0.475 9.1 174.6-156.7 -55.0 -30.0 -21.9 -2.6 580 236 A S + 0 0 60 -139,-0.4 -138,-0.1 1,-0.2 -140,-0.0 0.237 60.1 98.2 50.2 -16.2 -26.5 -20.6 -3.4 581 237 A E + 0 0 119 -2,-2.2 2,-0.5 -140,-0.0 -1,-0.2 0.222 65.1 113.9 -75.8 18.5 -25.6 -23.8 -5.4 582 238 A R + 0 0 124 1,-0.1 3,-0.1 -139,-0.1 -2,-0.1 -0.840 27.7 152.9-124.5 118.9 -26.5 -21.9 -8.6 583 239 A L - 0 0 114 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.900 64.4 -47.9-100.3 -66.4 -24.5 -20.6 -11.7 584 240 A R - 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