==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-08 3CJ7 . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.ZEBISCH,N.STRATER . 419 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 12.4 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 26 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 0 1 2 1 1 0 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 3 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 . 1 2 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 36 A P 0 0 153 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.9 32.8 39.0 -10.1 2 37 A A - 0 0 57 22,-0.1 23,-2.8 1,-0.1 24,-0.3 -0.398 360.0-147.7 -61.8 134.3 30.1 41.4 -8.7 3 38 A L E -A 24 0A 54 21,-0.3 2,-0.3 22,-0.1 -1,-0.1 -0.763 8.1-156.8-105.9 152.0 29.3 40.7 -5.0 4 39 A K E -A 23 0A 82 19,-2.7 19,-1.8 -2,-0.3 2,-0.3 -0.891 13.3-148.6-120.3 157.4 26.1 41.2 -3.1 5 40 A Y E -A 22 0A 21 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.874 12.8-174.1-127.9 156.8 25.8 41.7 0.7 6 41 A G E -A 21 0A 0 15,-2.1 15,-3.4 -2,-0.3 2,-0.4 -0.984 11.0-151.0-146.5 149.7 23.3 40.8 3.5 7 42 A I E -Ab 20 82A 0 74,-2.7 76,-2.5 -2,-0.3 2,-0.4 -0.976 9.2-175.0-127.1 131.2 23.2 41.8 7.1 8 43 A V E -Ab 19 83A 0 11,-2.8 11,-3.0 -2,-0.4 2,-0.6 -0.990 12.8-154.7-123.1 132.0 21.8 39.9 10.1 9 44 A L E -Ab 18 84A 0 74,-2.8 76,-2.6 -2,-0.4 2,-1.0 -0.915 11.0-153.7 -98.0 117.4 21.7 41.2 13.7 10 45 A D E -Ab 17 85A 23 7,-3.2 7,-2.2 -2,-0.6 2,-1.4 -0.836 6.6-163.7 -89.5 101.4 21.6 38.3 16.1 11 46 A A E +Ab 16 86A 2 74,-3.2 76,-1.9 -2,-1.0 79,-0.3 -0.694 20.9 179.9 -90.3 86.2 19.8 39.8 19.1 12 47 A G - 0 0 7 3,-1.6 35,-0.4 -2,-1.4 36,-0.4 -0.179 41.2 -98.1 -84.4 178.2 20.8 37.1 21.6 13 48 A S S S+ 0 0 24 1,-0.2 33,-0.6 33,-0.1 36,-0.2 0.883 118.9 23.5 -67.6 -39.3 19.8 37.0 25.3 14 49 A S S S+ 0 0 59 1,-0.2 2,-0.3 31,-0.2 -1,-0.2 0.459 132.0 1.8-105.4 -7.3 23.1 38.5 26.7 15 50 A H - 0 0 68 30,-0.2 -3,-1.6 2,-0.0 2,-0.4 -0.980 61.6-119.2-173.3 159.9 24.3 40.4 23.7 16 51 A T E -A 11 0A 0 26,-0.4 26,-2.4 28,-0.3 2,-0.4 -0.942 24.7-170.1-115.0 136.3 23.7 41.5 20.1 17 52 A S E -AC 10 41A 5 -7,-2.2 -7,-3.2 -2,-0.4 2,-0.5 -0.984 11.2-146.7-123.0 144.4 26.1 40.6 17.3 18 53 A M E -AC 9 40A 0 22,-3.4 22,-1.9 -2,-0.4 2,-0.4 -0.916 13.0-168.9-108.1 128.7 26.0 41.9 13.7 19 54 A F E -AC 8 39A 27 -11,-3.0 -11,-2.8 -2,-0.5 2,-0.5 -0.978 6.1-161.9-118.2 133.6 27.1 39.7 10.8 20 55 A V E -AC 7 38A 0 18,-2.6 17,-3.9 -2,-0.4 18,-1.6 -0.955 13.6-167.9-111.7 124.6 27.7 40.9 7.3 21 56 A Y E -AC 6 36A 2 -15,-3.4 -15,-2.1 -2,-0.5 2,-0.3 -0.800 3.7-168.6-110.5 155.6 27.6 38.3 4.6 22 57 A K E +AC 5 35A 75 13,-2.6 13,-2.1 -2,-0.3 -17,-0.2 -0.980 8.5 169.5-144.7 151.7 28.7 38.5 0.9 23 58 A W E -A 4 0A 4 -19,-1.8 -19,-2.7 -2,-0.3 2,-0.2 -0.980 42.9 -89.7-156.7 150.0 28.4 36.3 -2.1 24 59 A P E > -A 3 0A 25 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.518 34.6-133.9 -65.2 130.3 28.9 36.5 -5.9 25 60 A A G > S+ 0 0 34 -23,-2.8 3,-1.1 -2,-0.2 -22,-0.1 0.916 102.7 43.6 -45.1 -54.6 25.8 37.8 -7.7 26 61 A D G 3 S+ 0 0 132 -24,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.448 118.1 43.4 -80.8 -0.9 25.9 35.1 -10.5 27 62 A K G X S+ 0 0 110 -3,-1.2 3,-2.1 1,-0.1 -1,-0.2 0.197 76.4 122.2-122.2 16.3 26.7 32.1 -8.2 28 63 A E T < + 0 0 46 -3,-1.1 6,-0.2 1,-0.3 -2,-0.1 0.661 68.7 52.8 -66.8 -23.8 24.2 33.0 -5.4 29 64 A N T 3 S+ 0 0 77 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.430 82.4 112.1 -90.5 -0.4 22.1 29.8 -5.3 30 65 A D S X S- 0 0 77 -3,-2.1 3,-1.2 1,-0.1 4,-0.4 -0.504 77.7-110.8 -65.5 136.5 25.2 27.6 -5.0 31 66 A T T 3 S+ 0 0 15 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.446 100.6 15.1 -66.6 143.2 25.4 25.8 -1.6 32 67 A G T 3 S+ 0 0 26 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.446 93.5 114.2 73.3 1.3 28.3 27.1 0.6 33 68 A I < + 0 0 52 -3,-1.2 2,-0.2 -6,-0.1 -2,-0.1 0.879 55.0 77.3 -75.8 -37.8 28.7 30.2 -1.6 34 69 A V + 0 0 1 -4,-0.4 2,-0.3 -6,-0.2 -11,-0.2 -0.515 62.8 171.5 -71.2 134.4 27.7 32.8 1.0 35 70 A G E -C 22 0A 20 -13,-2.1 -13,-2.6 -2,-0.2 2,-0.1 -0.970 39.0 -85.5-139.2 164.9 30.3 33.6 3.6 36 71 A Q E +C 21 0A 45 -2,-0.3 -15,-0.3 353,-0.3 3,-0.1 -0.413 33.5 179.6 -66.4 134.5 30.9 36.0 6.4 37 72 A H E - 0 0 63 -17,-3.9 2,-0.3 1,-0.4 -16,-0.2 0.754 64.9 -24.4-103.0 -43.6 32.5 39.3 5.3 38 73 A S E -C 20 0A 21 -18,-1.6 -18,-2.6 2,-0.0 -1,-0.4 -0.963 55.5-153.0-157.1 175.7 32.6 41.1 8.7 39 74 A S E -C 19 0A 49 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.981 0.7-161.2-152.9 164.3 31.1 41.2 12.2 40 75 A a E -C 18 0A 17 -22,-1.9 -22,-3.4 -2,-0.3 2,-0.6 -0.979 13.2-142.5-150.2 134.2 30.6 43.6 15.1 41 76 A D E -C 17 0A 111 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.893 23.2-130.5-102.2 121.7 29.8 42.9 18.7 42 77 A V - 0 0 9 -26,-2.4 -26,-0.4 -2,-0.6 2,-0.1 -0.514 25.3-117.1 -71.4 129.2 27.4 45.4 20.3 43 78 A Q S S+ 0 0 169 17,-0.3 2,-0.1 -2,-0.3 -1,-0.1 -0.437 74.9 6.9 -63.1 138.3 28.6 46.8 23.6 44 79 A G S S- 0 0 56 -2,-0.1 -28,-0.3 -29,-0.0 -2,-0.0 -0.350 100.5 -18.1 88.4-164.9 26.5 46.0 26.6 45 80 A G S S- 0 0 25 1,-0.2 -29,-0.3 -30,-0.1 -30,-0.2 0.071 72.2 -81.7 -73.8 178.0 23.5 43.7 27.2 46 81 A G > - 0 0 1 -33,-0.6 3,-1.2 -31,-0.2 4,-0.3 -0.242 46.7-101.1 -72.3 169.7 20.9 42.2 24.9 47 82 A I G > S+ 0 0 0 -35,-0.4 3,-1.6 1,-0.3 10,-0.1 0.859 123.4 61.9 -68.5 -29.4 17.9 44.1 23.6 48 83 A S G > S+ 0 0 25 -36,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.774 89.0 71.5 -64.3 -24.4 15.7 42.4 26.1 49 84 A S G < S+ 0 0 73 -3,-1.2 3,-0.3 1,-0.3 -1,-0.3 0.653 91.7 60.3 -63.3 -14.3 17.9 44.1 28.8 50 85 A Y G X + 0 0 43 -3,-1.6 3,-1.7 -4,-0.3 -1,-0.3 0.124 64.0 124.4-101.6 24.7 16.3 47.4 27.8 51 86 A A T < S+ 0 0 12 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.857 82.5 37.1 -54.5 -40.8 12.7 46.3 28.7 52 87 A N T 3 S+ 0 0 163 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.428 128.1 35.7 -91.7 1.4 12.3 49.3 31.1 53 88 A D S X S+ 0 0 71 -3,-1.7 3,-1.5 1,-0.1 4,-0.4 -0.408 71.2 167.3-147.0 60.9 14.2 51.7 28.9 54 89 A P T >> + 0 0 32 0, 0.0 3,-1.9 0, 0.0 4,-0.9 0.778 67.7 68.2 -59.7 -33.0 13.3 50.6 25.3 55 90 A S H >> S+ 0 0 88 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.890 94.8 59.6 -52.3 -37.5 14.7 53.7 23.5 56 91 A K H <> S+ 0 0 116 -3,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.707 91.7 69.0 -65.1 -23.3 18.2 52.5 24.5 57 92 A A H <> S+ 0 0 0 -3,-1.9 4,-0.5 -4,-0.4 -1,-0.2 0.947 103.9 40.9 -60.5 -50.3 17.7 49.2 22.6 58 93 A G H X< S+ 0 0 0 -4,-0.9 3,-1.5 -3,-0.5 4,-0.4 0.937 113.9 53.1 -60.0 -49.1 17.8 51.0 19.3 59 94 A Q H >< S+ 0 0 130 -4,-1.7 3,-1.7 1,-0.3 4,-0.4 0.864 97.1 67.1 -57.6 -35.6 20.7 53.3 20.3 60 95 A S H 3< S+ 0 0 21 -4,-2.3 4,-0.3 1,-0.3 -17,-0.3 0.782 97.9 54.8 -53.4 -29.5 22.8 50.2 21.4 61 96 A L T S+ 0 0 30 -3,-1.7 4,-3.0 -4,-0.4 5,-0.2 0.872 81.9 51.7 -58.7 -49.2 24.4 52.4 16.3 63 98 A R H > S+ 0 0 205 -4,-0.4 4,-1.4 -3,-0.3 -1,-0.2 0.909 115.5 42.8 -56.3 -44.1 28.2 51.8 16.6 64 99 A a H > S+ 0 0 3 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.890 112.4 53.4 -70.8 -37.5 27.8 48.4 14.8 65 100 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.907 106.5 52.7 -60.7 -41.0 25.5 49.9 12.2 66 101 A E H X S+ 0 0 79 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.846 107.6 53.1 -58.7 -35.1 28.1 52.6 11.5 67 102 A Q H >X S+ 0 0 40 -4,-1.4 4,-2.5 -5,-0.2 3,-0.5 0.924 103.5 55.8 -65.8 -43.3 30.6 49.8 11.0 68 103 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.799 101.8 57.5 -57.8 -34.9 28.2 48.2 8.4 69 104 A L H 3< S+ 0 0 43 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.861 113.4 39.7 -60.4 -40.9 28.2 51.4 6.4 70 105 A R H << S+ 0 0 177 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.826 115.6 52.3 -75.9 -34.5 32.0 51.1 6.2 71 106 A D H < S+ 0 0 36 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.838 105.1 56.5 -75.1 -38.3 32.0 47.3 5.6 72 107 A V S < S- 0 0 1 -4,-2.2 5,-0.1 -5,-0.2 8,-0.0 -0.845 98.8-105.9 -97.5 132.4 29.5 47.3 2.7 73 108 A P > - 0 0 45 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.315 29.5-122.2 -56.5 142.2 30.4 49.4 -0.4 74 109 A R G > S+ 0 0 206 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.863 109.8 57.6 -59.0 -46.0 28.2 52.6 -0.6 75 110 A D G 3 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.582 109.4 48.7 -64.8 -8.6 26.8 51.8 -4.0 76 111 A R G X S+ 0 0 71 -3,-2.0 3,-0.7 2,-0.1 -1,-0.3 0.491 83.4 91.8-106.1 -5.4 25.5 48.5 -2.5 77 112 A H G X S+ 0 0 19 -3,-1.9 3,-1.8 -4,-0.4 41,-0.6 0.929 83.8 53.5 -53.6 -51.6 23.9 49.9 0.7 78 113 A A G 3 S+ 0 0 78 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.726 113.6 40.6 -59.4 -29.5 20.4 50.3 -0.8 79 114 A S G < S+ 0 0 84 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.2 0.159 90.0 103.5-108.2 13.6 20.1 46.7 -2.1 80 115 A T < - 0 0 1 -3,-1.8 38,-2.4 -4,-0.2 -74,-0.2 -0.891 69.8-135.2 -98.8 114.0 21.6 45.0 0.9 81 116 A P E - d 0 118A 11 0, 0.0 -74,-2.7 0, 0.0 2,-0.4 -0.480 16.0-158.6 -72.8 144.4 18.9 43.4 3.0 82 117 A L E -bd 7 119A 0 36,-2.3 38,-3.2 -76,-0.2 39,-0.4 -0.992 11.8-179.8-124.0 126.0 19.1 43.9 6.8 83 118 A Y E -b 8 0A 13 -76,-2.5 -74,-2.8 -2,-0.4 2,-0.5 -0.941 15.5-158.8-121.1 147.2 17.3 41.6 9.3 84 119 A L E -bd 9 122A 0 37,-2.4 39,-2.5 -2,-0.4 2,-0.4 -0.996 12.9-177.3-120.3 128.5 17.1 41.6 13.0 85 120 A G E -bd 10 123A 0 -76,-2.6 -74,-3.2 -2,-0.5 2,-0.3 -0.980 6.4-163.1-120.7 131.6 16.2 38.3 14.7 86 121 A A E -bd 11 124A 0 37,-2.4 39,-2.5 -2,-0.4 -74,-0.2 -0.895 8.7-172.0-114.9 149.1 15.8 38.0 18.5 87 122 A T >> - 0 0 7 -76,-1.9 4,-2.0 -2,-0.3 3,-1.0 0.107 52.1 -25.7-120.1-136.8 15.8 34.8 20.4 88 123 A A H 3> S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.744 123.0 63.6 -63.6 -27.3 15.1 33.5 24.0 89 124 A G H 3> S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.935 112.5 38.3 -54.6 -45.6 15.9 36.8 25.8 90 125 A M H <> S+ 0 0 2 -3,-1.0 4,-2.6 -79,-0.3 -2,-0.2 0.862 111.0 58.4 -77.0 -34.4 12.9 38.3 23.9 91 126 A R H X S+ 0 0 40 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.922 110.4 44.6 -59.2 -41.6 10.8 35.1 24.2 92 127 A L H X S+ 0 0 11 -4,-2.7 4,-1.8 2,-0.2 3,-0.4 0.912 111.2 51.7 -67.5 -44.3 11.1 35.4 28.0 93 128 A L H X S+ 0 0 21 -4,-1.7 4,-3.6 1,-0.2 8,-0.3 0.896 105.4 58.0 -58.4 -38.0 10.4 39.2 28.0 94 129 A N H < S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.828 104.1 51.1 -65.6 -29.0 7.3 38.4 26.0 95 130 A L H < S+ 0 0 117 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.891 116.7 40.6 -68.3 -41.8 6.1 36.1 28.8 96 131 A T H < S- 0 0 84 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.900 138.1 -4.0 -72.3 -46.0 6.6 38.9 31.3 97 132 A S X - 0 0 26 -4,-3.6 4,-2.4 -5,-0.2 -1,-0.2 -0.668 47.3-172.6-159.6 95.1 5.3 41.8 29.3 98 133 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.830 95.2 56.7 -54.4 -34.0 4.1 41.6 25.7 99 134 A E H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.914 107.4 43.7 -64.8 -47.8 3.9 45.5 25.9 100 135 A A H > S+ 0 0 6 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.901 113.8 53.7 -65.1 -41.9 7.6 46.0 26.9 101 136 A T H X S+ 0 0 1 -4,-2.4 4,-2.3 -8,-0.3 -2,-0.2 0.942 109.4 46.7 -52.6 -55.2 8.6 43.4 24.2 102 137 A A H X S+ 0 0 36 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.876 110.6 53.4 -58.0 -38.9 6.7 45.3 21.5 103 138 A R H X S+ 0 0 119 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.881 109.0 48.8 -66.3 -37.4 8.2 48.6 22.7 104 139 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.918 112.7 47.6 -65.8 -43.7 11.8 47.1 22.4 105 140 A L H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 51.2 -63.8 -41.5 11.0 45.8 18.9 106 141 A E H X S+ 0 0 109 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.922 109.7 50.6 -59.8 -43.3 9.6 49.3 18.0 107 142 A A H X S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.924 112.4 44.1 -64.9 -47.2 12.7 51.0 19.3 108 143 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.901 113.4 53.4 -63.8 -37.9 15.2 48.7 17.3 109 144 A T H X S+ 0 0 47 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.945 107.0 51.0 -60.8 -47.1 12.9 49.1 14.2 110 145 A Q H X S+ 0 0 127 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.906 113.7 45.0 -57.6 -42.9 13.0 52.9 14.4 111 146 A T H >< S+ 0 0 23 -4,-1.9 3,-1.2 1,-0.2 4,-0.4 0.950 114.0 47.9 -64.2 -48.3 16.8 52.9 14.6 112 147 A L H >< S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.3 5,-0.2 0.853 104.8 59.2 -67.8 -35.5 17.2 50.4 11.8 113 148 A T H 3< S+ 0 0 73 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.704 95.0 66.1 -64.1 -20.7 14.8 52.2 9.5 114 149 A Q T << S+ 0 0 142 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.665 89.4 85.4 -73.3 -16.9 17.1 55.3 9.7 115 150 A Y S < S- 0 0 33 -3,-1.4 4,-0.3 -4,-0.4 -50,-0.0 -0.502 85.8-120.6 -89.8 155.4 19.9 53.5 7.9 116 151 A P S S+ 0 0 65 0, 0.0 -36,-0.2 0, 0.0 -1,-0.1 0.454 78.8 104.3 -76.5 -5.6 20.3 53.1 4.0 117 152 A F S S- 0 0 10 -5,-0.2 2,-1.6 1,-0.1 -39,-0.2 -0.324 90.3 -98.2 -68.8 157.9 20.1 49.3 3.9 118 153 A D E -d 81 0A 55 -38,-2.4 -36,-2.3 -41,-0.6 2,-0.3 -0.647 46.2-154.1 -76.7 85.4 17.0 47.5 2.8 119 154 A F E -d 82 0A 40 -2,-1.6 -36,-0.2 -4,-0.3 3,-0.1 -0.530 17.2-177.0 -72.7 125.3 15.6 46.9 6.3 120 155 A R E - 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0 0 24 -3,-1.1 -105,-0.4 -4,-0.7 2,-0.1 -0.397 69.6-128.7 -60.9 138.7 39.6 24.0 42.6 339 380 A T > - 0 0 33 -107,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.422 29.6-104.3 -76.8 167.7 39.6 26.7 45.3 340 381 A W H > S+ 0 0 40 -107,-3.4 4,-2.5 1,-0.2 5,-0.2 0.879 123.0 50.0 -64.6 -38.3 39.1 30.3 44.2 341 382 A T H > S+ 0 0 101 -108,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.935 112.0 47.5 -63.8 -45.0 42.8 31.1 44.6 342 383 A E H > S+ 0 0 93 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.895 113.9 47.2 -62.5 -43.5 43.8 28.0 42.5 343 384 A L H >< S+ 0 0 6 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.949 111.7 49.9 -62.9 -50.3 41.3 28.8 39.8 344 385 A Q H >< S+ 0 0 65 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.827 102.0 63.2 -55.9 -36.5 42.4 32.5 39.6 345 386 A A H 3< S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.748 100.4 53.1 -62.5 -22.3 46.1 31.4 39.4 346 387 A R T << S+ 0 0 104 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.513 105.6 58.8 -87.8 -7.7 45.3 29.7 36.1 347 388 A V < + 0 0 23 -3,-1.5 -1,-0.2 -4,-0.3 7,-0.0 -0.846 58.7 178.7-130.4 89.4 43.8 32.9 34.6 348 389 A P + 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.763 67.4 46.7 -62.9 -26.6 46.2 35.8 34.6 349 390 A G S S- 0 0 43 1,-0.3 -2,-0.1 2,-0.0 0, 0.0 0.153 108.6 -13.2-103.0-150.3 43.8 38.2 33.0 350 391 A Q - 0 0 131 1,-0.1 -1,-0.3 4,-0.0 0, 0.0 -0.150 51.4-153.6 -59.1 144.2 40.1 39.3 33.5 351 392 A K > + 0 0 68 -3,-0.1 3,-1.8 2,-0.1 4,-0.5 0.228 41.8 136.7-108.4 11.1 38.1 36.9 35.7 352 393 A T T 3 S+ 0 0 90 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.363 80.8 9.7 -62.2 142.1 34.5 37.4 34.5 353 394 A R T >> S+ 0 0 139 1,-0.1 3,-1.4 3,-0.0 4,-0.6 0.221 95.9 115.4 71.5 -8.2 32.7 34.1 34.2 354 395 A L G X4 S+ 0 0 4 -3,-1.8 3,-1.1 1,-0.3 4,-0.4 0.892 72.6 50.8 -60.9 -42.8 35.6 32.3 36.0 355 396 A A G 34 S+ 0 0 6 -4,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.646 109.0 55.8 -66.7 -15.0 33.5 31.3 39.1 356 397 A D G <> S+ 0 0 41 -3,-1.4 4,-2.6 1,-0.1 5,-0.2 0.554 78.4 86.9 -97.9 -11.7 30.9 29.8 36.8 357 398 A Y H S+ 0 0 8 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.961 112.5 41.9 -49.8 -56.4 32.4 24.5 37.2 359 400 A A H > S+ 0 0 0 -4,-0.3 4,-2.5 -129,-0.3 -2,-0.2 0.900 116.9 47.2 -63.2 -43.0 28.6 24.9 37.1 360 401 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.925 112.8 48.7 -67.3 -41.9 28.4 25.3 33.3 361 402 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.927 112.0 49.8 -62.7 -43.0 30.7 22.3 32.6 362 403 A M H X S+ 0 0 9 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.912 111.3 49.8 -60.7 -45.4 28.6 20.2 35.0 363 404 A F H X S+ 0 0 1 -4,-2.5 4,-3.3 -5,-0.2 -2,-0.2 0.925 110.8 48.5 -57.2 -47.3 25.5 21.3 33.2 364 405 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.929 110.8 51.0 -63.6 -46.4 26.9 20.5 29.8 365 406 A H H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.940 115.8 41.4 -56.7 -46.5 28.1 17.1 30.9 366 407 A Q H X>S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 5,-1.9 0.901 111.8 54.9 -69.1 -41.8 24.6 16.2 32.3 367 408 A L H <>S+ 0 0 0 -4,-3.3 5,-2.9 3,-0.2 6,-0.3 0.933 114.7 40.5 -53.2 -50.5 22.7 17.7 29.4 368 409 A L H <5S+ 0 0 0 -4,-2.6 6,-2.7 3,-0.2 5,-0.2 0.910 127.0 31.4 -66.8 -46.6 24.6 15.6 26.9 369 410 A S H <5S+ 0 0 28 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.937 135.4 20.8 -83.6 -50.9 24.6 12.3 29.0 370 411 A R T <5S+ 0 0 107 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.815 130.8 41.6 -86.5 -34.3 21.4 12.4 31.0 371 412 A G T - 0 0 71 -2,-0.1 4,-2.8 -50,-0.0 5,-0.3 -0.693 44.6 -79.4-128.3-173.1 27.0 7.7 25.3 376 417 A E H > S+ 0 0 84 -2,-0.2 4,-1.5 1,-0.2 -2,-0.0 0.923 129.1 49.7 -60.3 -39.3 30.7 7.1 24.6 377 418 A R H 4 S+ 0 0 165 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.936 118.0 37.0 -64.0 -49.4 29.9 5.8 21.1 378 419 A S H >4 S+ 0 0 6 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.862 112.2 58.8 -71.3 -31.9 27.7 8.7 20.0 379 420 A F H >< S+ 0 0 6 -4,-2.8 3,-2.0 1,-0.3 -1,-0.2 0.808 92.3 68.9 -69.5 -29.2 29.7 11.4 21.9 380 421 A R T 3< S+ 0 0 162 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.723 95.9 56.5 -56.8 -22.7 32.8 10.4 19.8 381 422 A E T < S+ 0 0 80 -3,-1.4 -80,-2.0 -4,-0.3 2,-0.4 0.385 87.5 98.1 -92.1 1.4 30.9 12.0 16.8 382 423 A V E < -j 301 0C 11 -3,-2.0 2,-0.4 -82,-0.2 -80,-0.2 -0.767 52.2-170.7 -94.3 129.2 30.5 15.4 18.5 383 424 A V E -j 302 0C 67 -82,-2.6 -80,-2.7 -2,-0.4 2,-0.7 -0.935 17.4-139.5-114.9 146.7 33.0 18.2 17.7 384 425 A F E +j 303 0C 28 -2,-0.4 2,-0.3 -82,-0.2 -80,-0.2 -0.932 44.5 138.5-106.3 111.9 33.2 21.6 19.5 385 426 A Q - 0 0 102 -82,-1.0 -77,-0.2 -2,-0.7 -80,-0.1 -0.977 38.5-164.9-151.4 153.5 33.7 24.4 17.1 386 427 A K S S+ 0 0 83 -2,-0.3 7,-3.1 -82,-0.2 2,-0.3 0.400 74.9 47.4-120.2 -3.7 32.3 27.9 16.6 387 428 A K E -N 392 0G 110 5,-0.3 2,-0.3 -83,-0.0 5,-0.2 -0.980 51.9-176.2-141.9 144.3 33.4 28.7 13.1 388 429 A A E > S-N 391 0G 10 3,-2.7 3,-1.8 -2,-0.3 -246,-0.0 -0.979 78.3 -5.9-141.0 135.4 33.2 26.9 9.6 389 430 A A T 3 S- 0 0 63 -2,-0.3 -353,-0.3 1,-0.3 -1,-0.1 0.913 129.3 -56.6 47.7 49.5 34.8 28.3 6.4 390 431 A D T 3 S+ 0 0 135 1,-0.2 2,-0.4 -355,-0.1 -1,-0.3 0.665 116.9 114.0 62.1 16.5 35.7 31.6 8.2 391 432 A T E < S-N 388 0G 1 -3,-1.8 -3,-2.7 -356,-0.1 -1,-0.2 -0.974 72.5-114.4-123.2 133.1 32.0 32.1 9.1 392 433 A A E -N 387 0G 30 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.407 31.6-125.6 -61.0 134.6 30.6 32.1 12.7 393 434 A V + 0 0 15 -7,-3.1 -88,-0.3 -2,-0.1 2,-0.3 -0.735 61.4 104.3 -85.2 128.4 28.3 29.1 13.3 394 435 A G S S- 0 0 13 -2,-0.5 4,-0.5 -260,-0.2 3,-0.2 -0.935 84.1 -79.0-176.8-175.2 24.9 30.2 14.6 395 436 A W S > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.667 104.6 86.4 -73.2 -19.7 21.4 30.6 13.3 396 437 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 88.7 46.9 -56.1 -44.2 22.0 34.0 11.5 397 438 A L H > S+ 0 0 0 -3,-0.2 4,-3.0 -5,-0.2 -1,-0.2 0.967 113.1 46.8 -64.8 -52.2 23.3 32.7 8.2 398 439 A G H > S+ 0 0 1 -265,-0.5 4,-2.2 -4,-0.5 -1,-0.2 0.866 112.9 53.0 -53.9 -41.1 20.5 30.1 7.8 399 440 A Y H X S+ 0 0 15 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.947 110.5 45.1 -57.8 -53.2 18.0 32.8 8.7 400 441 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.908 111.9 53.6 -57.6 -43.7 19.4 35.2 6.0 401 442 A L H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 6,-0.6 0.909 112.3 44.5 -58.3 -44.0 19.5 32.3 3.5 402 443 A N H ><5S+ 0 0 93 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.960 115.7 44.2 -66.8 -52.4 15.8 31.6 4.1 403 444 A L H 3<5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.785 117.3 45.6 -68.6 -25.6 14.5 35.2 4.1 404 445 A T T 3<5S- 0 0 41 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.374 108.9-127.6 -96.1 1.9 16.5 36.1 1.0 405 446 A N T < 5 + 0 0 125 -3,-1.3 -3,-0.2 -4,-0.2 -4,-0.1 0.873 59.1 145.7 55.2 45.2 15.4 32.9 -0.7 406 447 A L < + 0 0 4 -5,-2.8 -4,-0.1 -6,-0.2 -1,-0.1 0.583 51.1 69.0 -92.4 -10.7 19.0 31.8 -1.5 407 448 A I S S- 0 0 26 -6,-0.6 2,-0.1 -5,-0.1 -1,-0.1 -0.939 79.8-143.6-107.1 114.1 18.6 28.0 -1.1 408 449 A P - 0 0 29 0, 0.0 -214,-2.8 0, 0.0 -213,-0.2 -0.460 12.0-136.5 -77.5 147.3 16.4 26.6 -3.8 409 450 A A S S+ 0 0 50 -216,-0.2 -214,-2.9 -215,-0.2 2,-0.3 0.874 92.4 19.5 -63.8 -39.0 14.0 23.8 -3.1 410 451 A D S S- 0 0 62 -216,-0.3 -216,-0.2 -215,-0.1 -1,-0.1 -0.916 87.8-103.6-129.5 155.8 15.1 22.2 -6.4 411 452 A L > - 0 0 44 -2,-0.3 3,-2.3 1,-0.1 4,-0.0 -0.385 61.8 -74.8 -68.6 155.4 18.1 22.4 -8.7 412 453 A P G > S- 0 0 119 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.307 119.7 -2.0 -56.2 133.3 17.6 24.4 -12.0 413 454 A G G > S- 0 0 71 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.656 120.2 -80.3 57.3 21.1 15.5 22.3 -14.4 414 455 A L G X >S- 0 0 79 -3,-2.3 3,-2.4 1,-0.3 5,-0.5 0.738 74.1 -77.7 54.2 26.9 15.6 19.5 -11.7 415 456 A R G X 5S- 0 0 103 -3,-2.5 3,-2.1 1,-0.3 -1,-0.3 0.909 83.3 -63.2 50.8 41.9 19.1 18.8 -13.1 416 457 A K G < 5S- 0 0 202 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.633 88.1 -72.4 59.8 15.5 17.3 17.1 -16.1 417 458 A G G X 5S+ 0 0 19 -3,-2.4 3,-2.0 -4,-0.2 -1,-0.3 0.509 97.6 135.4 78.2 6.4 16.0 14.5 -13.5 418 459 A T T < 5 + 0 0 61 -3,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.575 69.8 52.1 -64.3 -16.0 19.5 12.9 -13.1 419 460 A H T 3 < 0 0 34 -5,-0.5 -1,-0.3 -4,-0.1 -4,-0.1 0.260 360.0 360.0 -97.3 10.5 19.1 12.9 -9.2 420 461 A F < 0 0 218 -3,-2.0 -225,-0.0 -6,-0.1 -6,-0.0 -0.205 360.0 360.0 -65.2 360.0 15.7 11.1 -9.4