==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-13 4BR0 . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 419 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.9 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 . 25 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.4 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 2 1 0 1 2 1 1 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 3 1 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 0 149 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.1 33.1 39.2 -9.9 2 37 A A - 0 0 60 22,-0.0 23,-3.3 1,-0.0 2,-0.3 -0.548 360.0-148.3 -67.9 119.9 30.3 41.5 -8.7 3 38 A L E -A 24 0A 52 -2,-0.4 2,-0.3 21,-0.2 -1,-0.0 -0.647 7.9-154.3 -93.8 145.5 29.5 40.8 -5.0 4 39 A K E -A 23 0A 76 19,-3.2 19,-1.7 -2,-0.3 2,-0.3 -0.829 13.6-150.7-109.3 157.0 26.2 41.1 -3.1 5 40 A Y E -A 22 0A 21 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.843 13.5-175.9-128.6 164.0 25.9 41.7 0.6 6 41 A G E -A 21 0A 0 15,-1.8 15,-3.2 -2,-0.3 2,-0.4 -0.962 11.0-151.4-157.0 144.4 23.5 40.9 3.4 7 42 A I E -Ab 20 82A 0 74,-2.7 76,-2.2 -2,-0.3 2,-0.4 -0.960 9.0-175.5-127.3 131.4 23.4 41.8 7.1 8 43 A V E -Ab 19 83A 0 11,-2.5 11,-2.9 -2,-0.4 2,-0.6 -0.995 13.1-154.2-122.9 129.4 21.9 40.0 10.1 9 44 A L E -Ab 18 84A 0 74,-2.6 76,-2.6 -2,-0.4 2,-0.8 -0.898 10.2-154.3 -94.1 117.5 21.7 41.3 13.6 10 45 A D E -Ab 17 85A 24 7,-3.0 7,-2.3 -2,-0.6 2,-1.1 -0.894 8.5-165.7 -92.3 103.5 21.6 38.3 16.0 11 46 A A E +Ab 16 86A 1 74,-3.0 76,-1.9 -2,-0.8 79,-0.3 -0.748 18.3 178.2 -97.3 86.7 19.8 39.9 19.0 12 47 A G - 0 0 11 3,-2.1 35,-0.4 -2,-1.1 36,-0.3 -0.306 43.1-100.2 -88.3 171.9 20.6 37.2 21.7 13 48 A S S S+ 0 0 28 1,-0.2 33,-0.8 33,-0.1 36,-0.2 0.857 120.7 28.3 -59.8 -37.1 19.6 37.3 25.4 14 49 A S S S- 0 0 50 1,-0.3 2,-0.3 31,-0.2 -1,-0.2 0.612 131.0 -3.5-104.9 -10.2 23.0 38.4 26.6 15 50 A H - 0 0 82 30,-0.1 -3,-2.1 2,-0.0 2,-0.4 -0.984 57.9-120.1-169.8 163.6 24.3 40.4 23.5 16 51 A T E -A 11 0A 0 26,-0.4 26,-2.3 -2,-0.3 2,-0.4 -0.942 25.1-171.9-114.7 134.4 23.8 41.5 20.0 17 52 A S E -AC 10 41A 6 -7,-2.3 -7,-3.0 -2,-0.4 2,-0.5 -0.982 12.1-146.9-121.1 143.5 26.1 40.6 17.2 18 53 A M E -AC 9 40A 0 22,-3.6 22,-1.9 -2,-0.4 2,-0.4 -0.909 13.1-167.7-107.8 132.7 26.1 42.0 13.7 19 54 A F E -AC 8 39A 26 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.5 -0.982 6.7-161.7-119.9 134.0 27.1 39.7 10.7 20 55 A V E -AC 7 38A 0 18,-2.6 17,-3.9 -2,-0.4 18,-1.6 -0.949 13.7-170.0-110.7 125.8 27.8 40.9 7.2 21 56 A Y E -AC 6 36A 3 -15,-3.2 -15,-1.8 -2,-0.5 2,-0.3 -0.850 2.7-167.1-114.2 151.7 27.8 38.2 4.5 22 57 A K E +AC 5 35A 73 13,-2.5 13,-2.4 -2,-0.3 -17,-0.2 -0.961 9.3 170.1-138.5 154.4 28.8 38.5 0.8 23 58 A W E -A 4 0A 2 -19,-1.7 -19,-3.2 -2,-0.3 2,-0.2 -0.965 42.7 -90.5-156.8 150.8 28.4 36.2 -2.2 24 59 A P E > -A 3 0A 28 0, 0.0 3,-0.5 0, 0.0 4,-0.5 -0.545 34.3-129.0 -68.2 135.0 28.9 36.5 -6.0 25 60 A A G > S+ 0 0 37 -23,-3.3 3,-0.6 1,-0.2 -22,-0.1 0.895 104.9 38.6 -44.2 -51.6 25.9 37.9 -7.8 26 61 A D G 3 S+ 0 0 137 -24,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.523 118.6 45.5 -89.8 -6.1 25.8 35.0 -10.5 27 62 A K G X S+ 0 0 114 -3,-0.5 3,-1.8 1,-0.1 -1,-0.2 0.256 75.9 120.9-108.4 11.4 26.8 32.1 -8.2 28 63 A E T < S+ 0 0 48 -3,-0.6 6,-0.2 -4,-0.5 5,-0.1 0.670 70.3 51.5 -52.6 -30.3 24.3 33.0 -5.4 29 64 A N T 3 S+ 0 0 77 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.628 82.5 106.7 -84.4 -18.2 22.3 29.7 -5.5 30 65 A D S X S- 0 0 82 -3,-1.8 3,-1.0 1,-0.1 4,-0.3 -0.315 80.4-107.6 -51.5 141.6 25.3 27.3 -5.2 31 66 A T T 3 S+ 0 0 14 1,-0.2 -1,-0.1 2,-0.1 110,-0.1 -0.440 100.3 18.0 -72.2 150.1 25.6 25.7 -1.7 32 67 A G T 3 S+ 0 0 27 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.474 92.7 113.1 69.7 6.4 28.4 27.0 0.5 33 68 A I < + 0 0 52 -3,-1.0 2,-0.2 -6,-0.2 -2,-0.1 0.830 53.5 79.7 -79.2 -37.9 28.9 30.2 -1.6 34 69 A V + 0 0 1 -4,-0.3 2,-0.3 -6,-0.2 -11,-0.2 -0.514 62.8 174.6 -70.7 132.0 27.7 32.8 0.9 35 70 A G E -C 22 0A 20 -13,-2.4 -13,-2.5 -2,-0.2 2,-0.1 -0.984 37.2 -91.2-133.0 167.3 30.4 33.6 3.5 36 71 A Q E -C 21 0A 36 -2,-0.3 -15,-0.3 353,-0.3 3,-0.1 -0.436 31.5-178.5 -69.2 133.3 30.9 36.0 6.4 37 72 A H E - 0 0 64 -17,-3.9 2,-0.3 1,-0.4 -16,-0.2 0.754 65.1 -30.5-100.0 -40.3 32.6 39.3 5.3 38 73 A S E -C 20 0A 22 -18,-1.6 -18,-2.6 2,-0.0 -1,-0.4 -0.962 54.2-154.4-163.8 179.6 32.8 41.0 8.8 39 74 A S E -C 19 0A 48 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.973 2.4-155.6-158.4 166.0 31.1 41.2 12.1 40 75 A a E -C 18 0A 17 -22,-1.9 -22,-3.6 -2,-0.3 2,-0.6 -0.981 13.4-138.9-150.6 134.9 30.7 43.6 15.0 41 76 A D E -C 17 0A 115 -2,-0.3 -24,-0.2 -24,-0.2 2,-0.2 -0.894 22.5-133.3 -97.1 117.4 29.9 42.9 18.7 42 77 A V - 0 0 11 -26,-2.3 -26,-0.4 -2,-0.6 2,-0.1 -0.499 25.1-117.4 -69.0 134.2 27.5 45.4 20.2 43 78 A Q S S+ 0 0 176 17,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.444 73.5 11.3 -70.4 143.4 28.7 46.7 23.6 44 79 A G S S- 0 0 55 -2,-0.1 -28,-0.3 -29,-0.0 -2,-0.0 -0.324 102.1 -21.4 85.8-164.3 26.5 46.1 26.7 45 80 A G S S- 0 0 27 1,-0.2 -29,-0.3 -30,-0.1 -31,-0.2 0.104 73.0 -81.5 -77.6-179.4 23.5 43.8 27.2 46 81 A G > - 0 0 0 -33,-0.8 3,-1.6 -31,-0.2 4,-0.3 -0.289 49.4 -98.1 -74.9 169.3 21.0 42.2 24.8 47 82 A I G > S+ 0 0 0 -35,-0.4 3,-1.6 1,-0.3 -34,-0.1 0.863 122.9 62.1 -63.7 -32.9 18.0 44.2 23.5 48 83 A S G > S+ 0 0 22 -36,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.750 88.5 70.8 -62.8 -19.1 15.7 42.6 26.1 49 84 A S G < S+ 0 0 72 -3,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.649 92.0 60.6 -72.5 -8.9 17.9 44.1 28.9 50 85 A Y G X + 0 0 46 -3,-1.6 3,-1.7 -4,-0.3 -1,-0.3 0.145 65.0 123.9-100.6 23.0 16.4 47.5 27.8 51 86 A A T < S+ 0 0 13 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.842 80.9 39.3 -49.4 -40.5 12.8 46.4 28.6 52 87 A N T 3 S+ 0 0 163 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.504 127.1 35.5 -90.0 -2.6 12.4 49.4 31.0 53 88 A D S X S+ 0 0 64 -3,-1.7 3,-1.6 1,-0.1 4,-0.4 -0.437 71.9 170.4-144.4 63.0 14.3 51.8 28.8 54 89 A P T >> + 0 0 30 0, 0.0 3,-1.9 0, 0.0 4,-0.9 0.764 68.4 66.0 -60.9 -30.9 13.4 50.8 25.2 55 90 A S H 3> S+ 0 0 85 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.846 95.3 60.2 -57.9 -32.6 15.0 53.7 23.3 56 91 A K H <> S+ 0 0 89 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.699 92.4 68.6 -65.4 -22.2 18.4 52.6 24.4 57 92 A A H <4 S+ 0 0 0 -3,-1.9 4,-0.5 -4,-0.4 -1,-0.2 0.977 105.8 38.2 -61.8 -53.3 17.8 49.3 22.6 58 93 A G H >< S+ 0 0 0 -4,-0.9 3,-2.0 -3,-0.2 4,-0.4 0.949 114.7 54.4 -56.7 -54.0 17.9 51.1 19.2 59 94 A Q H >< S+ 0 0 131 -4,-1.9 3,-1.9 1,-0.3 4,-0.4 0.857 98.0 64.9 -47.7 -42.4 20.8 53.4 20.3 60 95 A S T 3< S+ 0 0 24 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.750 98.1 55.2 -58.4 -25.3 22.9 50.4 21.4 61 96 A L T <> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.5 -1,-0.3 0.613 83.5 89.3 -81.0 -12.0 23.0 49.2 17.6 62 97 A V H <> S+ 0 0 55 -3,-1.9 4,-2.8 -4,-0.4 5,-0.2 0.880 81.3 52.3 -63.8 -48.3 24.5 52.5 16.3 63 98 A R H > S+ 0 0 214 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.925 115.3 43.1 -53.7 -46.9 28.2 51.8 16.6 64 99 A a H > S+ 0 0 2 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.893 111.6 52.5 -69.7 -37.3 27.8 48.5 14.7 65 100 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.895 107.3 53.7 -65.6 -37.8 25.5 49.9 12.1 66 101 A E H X S+ 0 0 82 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.872 107.4 52.0 -57.7 -37.4 28.2 52.7 11.5 67 102 A Q H X S+ 0 0 39 -4,-1.6 4,-2.2 -5,-0.2 3,-0.4 0.904 104.7 55.9 -66.9 -39.2 30.7 49.8 11.0 68 103 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.838 101.2 56.9 -59.8 -37.3 28.4 48.2 8.4 69 104 A L H < S+ 0 0 46 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.9 41.4 -61.2 -36.8 28.3 51.4 6.3 70 105 A R H < S+ 0 0 182 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.769 116.4 50.1 -78.6 -28.4 32.2 51.1 6.2 71 106 A D H < S+ 0 0 36 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.817 104.9 58.1 -79.8 -35.7 32.1 47.3 5.5 72 107 A V S < S- 0 0 1 -4,-2.2 5,-0.1 -5,-0.2 -1,-0.1 -0.882 99.2-106.2-100.9 130.7 29.6 47.3 2.7 73 108 A P > - 0 0 52 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.231 27.9-122.8 -59.0 145.1 30.6 49.3 -0.4 74 109 A R G > S+ 0 0 209 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.842 108.8 57.7 -64.4 -40.7 28.5 52.5 -0.7 75 110 A D G 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.683 110.1 49.2 -63.5 -13.8 27.1 51.8 -4.1 76 111 A R G X S+ 0 0 67 -3,-1.7 3,-0.8 1,-0.1 -1,-0.2 0.505 82.0 93.6-102.9 -7.6 25.7 48.6 -2.6 77 112 A H G X S+ 0 0 18 -3,-1.3 3,-2.0 -4,-0.4 41,-0.6 0.934 82.6 54.1 -50.4 -53.7 24.0 50.0 0.6 78 113 A A G 3 S+ 0 0 76 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.687 113.1 39.9 -60.5 -27.4 20.5 50.4 -0.8 79 114 A S G < S+ 0 0 81 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.137 88.4 106.0-110.9 19.1 20.2 46.9 -2.1 80 115 A T < - 0 0 1 -3,-2.0 38,-2.8 36,-0.2 -74,-0.2 -0.888 69.4-134.1 -94.4 119.3 21.8 45.1 0.9 81 116 A P E - d 0 118A 13 0, 0.0 -74,-2.7 0, 0.0 2,-0.4 -0.527 18.6-161.1 -74.2 141.6 19.0 43.4 2.9 82 117 A L E +bd 7 119A 0 36,-2.3 38,-3.6 -2,-0.2 39,-0.4 -0.996 11.0 178.2-125.6 133.0 19.2 43.9 6.7 83 118 A Y E -b 8 0A 10 -76,-2.2 -74,-2.6 -2,-0.4 2,-0.4 -0.932 16.7-157.6-126.7 147.9 17.3 41.7 9.2 84 119 A L E -bd 9 122A 0 37,-2.3 39,-2.4 -2,-0.3 2,-0.4 -0.999 13.0-177.0-122.1 130.2 17.2 41.6 13.0 85 120 A G E -bd 10 123A 0 -76,-2.6 -74,-3.0 -2,-0.4 2,-0.3 -0.987 8.3-159.2-124.4 136.3 16.2 38.3 14.6 86 121 A A E -bd 11 124A 0 37,-2.0 39,-2.6 -2,-0.4 -74,-0.2 -0.875 8.4-166.9-118.8 144.8 15.8 38.1 18.4 87 122 A T >> - 0 0 7 -76,-1.9 4,-1.8 -2,-0.3 3,-0.9 0.153 51.7 -31.3-115.2-135.3 15.9 34.9 20.4 88 123 A A H 3> S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.721 123.5 65.2 -70.5 -22.0 15.1 33.7 24.0 89 124 A G H 3> S+ 0 0 6 2,-0.2 4,-2.1 -78,-0.2 -1,-0.3 0.965 110.9 37.8 -56.4 -47.8 15.9 37.0 25.7 90 125 A M H <> S+ 0 0 2 -3,-0.9 4,-2.0 -79,-0.3 -2,-0.2 0.870 113.7 56.6 -77.3 -30.4 12.9 38.5 23.8 91 126 A R H X S+ 0 0 39 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.919 109.7 45.4 -63.1 -42.4 10.9 35.3 24.2 92 127 A L H X S+ 0 0 11 -4,-3.0 4,-1.2 1,-0.2 3,-0.3 0.912 112.2 51.1 -64.9 -44.8 11.2 35.5 28.0 93 128 A L H X S+ 0 0 20 -4,-2.1 4,-3.3 -5,-0.3 8,-0.3 0.850 104.5 58.1 -61.1 -33.9 10.4 39.2 28.0 94 129 A N H < S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 104.4 52.3 -68.0 -28.3 7.2 38.5 25.8 95 130 A L H < S+ 0 0 120 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.842 116.9 38.5 -66.5 -36.4 6.1 36.2 28.7 96 131 A T H < S- 0 0 89 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.888 138.0 -2.3 -84.6 -42.9 6.6 39.0 31.2 97 132 A S X - 0 0 24 -4,-3.3 4,-2.5 -5,-0.1 -1,-0.2 -0.696 47.8-175.7-159.9 92.4 5.4 41.9 29.2 98 133 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.839 93.9 56.7 -57.0 -33.8 4.2 41.8 25.6 99 134 A E H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.947 108.7 44.1 -62.9 -50.1 3.9 45.6 25.8 100 135 A A H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 113.1 54.2 -61.8 -42.1 7.6 46.1 26.8 101 136 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 -8,-0.3 -2,-0.2 0.929 108.8 46.9 -52.8 -49.5 8.5 43.5 24.1 102 137 A A H X S+ 0 0 37 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.905 111.3 51.9 -63.6 -41.1 6.6 45.5 21.4 103 138 A R H X S+ 0 0 123 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.893 109.9 48.4 -65.4 -38.5 8.3 48.8 22.6 104 139 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.948 113.6 47.6 -63.4 -45.7 11.8 47.2 22.4 105 140 A L H X S+ 0 0 35 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.904 112.0 50.2 -60.6 -41.8 11.0 45.9 18.9 106 141 A E H X S+ 0 0 124 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.902 109.1 51.6 -65.4 -42.0 9.7 49.3 17.9 107 142 A A H X S+ 0 0 16 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.894 112.8 43.6 -62.8 -41.6 12.8 51.1 19.2 108 143 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.924 113.8 52.4 -68.9 -40.6 15.2 48.9 17.2 109 144 A T H X S+ 0 0 50 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.954 109.0 49.9 -55.5 -49.5 12.9 49.1 14.1 110 145 A Q H X S+ 0 0 114 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.922 113.3 45.3 -59.0 -45.2 13.0 52.9 14.3 111 146 A T H >< S+ 0 0 19 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.941 114.7 48.6 -62.2 -46.4 16.9 53.0 14.6 112 147 A L H >< S+ 0 0 1 -4,-3.0 3,-1.8 1,-0.3 5,-0.2 0.880 103.7 58.5 -66.0 -38.7 17.3 50.5 11.7 113 148 A T H 3< S+ 0 0 69 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.651 95.2 66.9 -66.2 -16.1 14.9 52.3 9.3 114 149 A Q T << S+ 0 0 118 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.637 89.2 84.3 -76.1 -12.7 17.1 55.4 9.6 115 150 A Y S < S- 0 0 36 -3,-1.8 4,-0.2 -4,-0.3 -50,-0.0 -0.504 85.6-122.8 -93.4 158.9 19.9 53.5 7.8 116 151 A P S S+ 0 0 66 0, 0.0 -36,-0.2 0, 0.0 -1,-0.1 0.478 76.5 106.0 -85.4 1.2 20.2 53.2 4.0 117 152 A F S S- 0 0 11 -5,-0.2 2,-1.7 1,-0.1 -39,-0.2 -0.267 91.2 -95.0 -69.0 161.4 20.2 49.4 3.8 118 153 A D E -d 81 0A 61 -38,-2.8 -36,-2.3 -41,-0.6 2,-0.3 -0.591 49.1-153.3 -76.8 85.6 17.1 47.5 2.6 119 154 A F E -d 82 0A 40 -2,-1.7 -36,-0.2 -4,-0.2 3,-0.1 -0.487 17.4-177.2 -69.4 120.5 15.7 47.0 6.1 120 155 A R E - 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0 0 24 -3,-1.3 -105,-0.5 -4,-0.7 2,-0.1 -0.350 69.8-129.0 -64.0 144.9 39.7 24.1 42.5 339 380 A T B > -l 233 0D 30 -107,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.444 29.4-103.1 -84.8 171.6 39.7 26.8 45.2 340 381 A W H > S+ 0 0 42 -107,-3.6 4,-2.5 2,-0.2 5,-0.2 0.911 123.3 47.9 -64.3 -42.5 39.2 30.4 44.2 341 382 A T H > S+ 0 0 104 -108,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.934 112.8 49.5 -62.1 -46.1 42.9 31.2 44.5 342 383 A E H > S+ 0 0 91 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.872 114.0 45.1 -58.9 -37.2 43.9 28.1 42.4 343 384 A L H >< S+ 0 0 7 -4,-2.3 3,-1.2 1,-0.2 4,-0.3 0.946 113.2 49.6 -72.3 -47.2 41.4 28.9 39.7 344 385 A Q H >< S+ 0 0 63 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.831 102.2 62.6 -60.6 -37.0 42.4 32.6 39.6 345 386 A A H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.694 101.1 54.5 -62.1 -19.8 46.2 31.5 39.4 346 387 A R T << S+ 0 0 103 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.564 105.2 55.7 -84.7 -10.5 45.3 29.8 36.0 347 388 A V < + 0 0 24 -3,-1.5 -1,-0.2 -4,-0.3 -30,-0.0 -0.889 59.5 178.8-127.5 94.0 43.8 33.0 34.5 348 389 A P + 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.820 67.3 47.3 -69.8 -25.2 46.2 35.9 34.6 349 390 A G S S- 0 0 46 1,-0.3 -2,-0.1 2,-0.0 0, 0.0 0.261 108.9 -11.4 -97.3-140.6 43.8 38.4 32.9 350 391 A Q - 0 0 132 1,-0.1 -1,-0.3 4,-0.0 0, 0.0 -0.216 51.0-158.8 -72.2 144.6 40.2 39.3 33.3 351 392 A K > + 0 0 65 -3,-0.1 3,-1.8 2,-0.1 4,-0.5 0.223 40.4 133.4-108.2 11.6 38.1 37.0 35.6 352 393 A T T 3 S+ 0 0 94 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.370 82.5 14.0 -67.0 146.8 34.5 37.6 34.6 353 394 A R T >> S+ 0 0 136 1,-0.1 3,-1.4 3,-0.0 4,-0.6 0.235 95.4 113.7 72.4 -17.9 32.7 34.2 34.2 354 395 A L G X4 S+ 0 0 3 -3,-1.8 3,-1.0 1,-0.3 4,-0.4 0.889 72.8 51.1 -54.9 -43.9 35.6 32.4 36.0 355 396 A A G 34 S+ 0 0 6 -4,-0.5 4,-0.4 1,-0.2 -1,-0.3 0.700 109.0 56.0 -66.9 -15.4 33.5 31.4 39.1 356 397 A D G <> S+ 0 0 40 -3,-1.4 4,-2.3 1,-0.1 -1,-0.2 0.617 78.5 86.9 -94.6 -10.1 30.9 29.9 36.7 357 398 A Y H S+ 0 0 7 -4,-0.4 4,-2.3 -128,-0.2 -1,-0.2 0.936 112.2 44.2 -48.3 -56.5 32.4 24.6 37.1 359 400 A A H > S+ 0 0 0 -4,-0.4 4,-2.4 -129,-0.3 -2,-0.2 0.917 116.9 45.3 -60.4 -43.5 28.6 25.0 37.1 360 401 A V H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.915 113.6 49.1 -70.4 -40.6 28.4 25.4 33.2 361 402 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.924 112.8 48.2 -62.5 -43.8 30.7 22.4 32.5 362 403 A M H X S+ 0 0 9 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.920 111.8 49.5 -65.5 -40.3 28.8 20.3 34.9 363 404 A F H X S+ 0 0 0 -4,-2.4 4,-3.7 2,-0.2 5,-0.2 0.942 111.2 50.4 -63.7 -43.5 25.5 21.3 33.3 364 405 A I H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.928 109.2 50.2 -63.0 -42.9 26.9 20.6 29.8 365 406 A H H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 5,-0.4 0.939 116.3 41.7 -61.9 -42.5 28.0 17.1 30.9 366 407 A Q H X>S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 5,-1.6 0.926 111.0 55.8 -71.3 -41.7 24.6 16.3 32.3 367 408 A L H X>S+ 0 0 0 -4,-3.7 5,-2.5 3,-0.2 4,-0.7 0.937 115.1 39.0 -51.9 -50.2 22.7 17.9 29.5 368 409 A L H <5S+ 0 0 0 -4,-2.5 6,-2.9 -5,-0.2 -1,-0.2 0.899 125.9 33.6 -68.3 -44.5 24.6 15.6 27.0 369 410 A S H <5S+ 0 0 32 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.933 135.5 19.5 -90.0 -44.2 24.7 12.4 29.0 370 411 A R H <5S+ 0 0 95 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.768 128.9 43.5 -99.7 -17.5 21.5 12.5 30.9 371 412 A G T < - 0 0 73 -2,-0.2 4,-3.0 -50,-0.0 5,-0.2 -0.659 44.3 -80.1-129.1-168.4 27.0 7.8 25.3 376 417 A E H > S+ 0 0 85 1,-0.2 4,-1.3 -2,-0.2 -2,-0.0 0.909 129.2 50.9 -65.6 -39.6 30.7 7.2 24.6 377 418 A R H 4 S+ 0 0 213 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.960 117.5 35.6 -60.6 -53.3 29.9 5.8 21.2 378 419 A S H >4 S+ 0 0 22 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.865 112.6 60.8 -73.3 -29.3 27.6 8.8 20.0 379 420 A F H >< S+ 0 0 7 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.773 90.4 68.4 -68.6 -27.9 29.7 11.4 21.9 380 421 A R T 3< S+ 0 0 184 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.738 94.9 58.3 -59.8 -22.0 32.8 10.5 19.8 381 422 A E T < S+ 0 0 59 -3,-1.5 -80,-1.9 -4,-0.4 2,-0.4 0.387 86.8 98.1 -89.7 1.1 30.9 12.1 16.8 382 423 A V E < -j 301 0C 13 -3,-1.7 2,-0.4 -82,-0.2 -80,-0.2 -0.808 52.1-170.8 -94.6 128.8 30.5 15.5 18.5 383 424 A V E -j 302 0C 70 -82,-2.5 -80,-2.4 -2,-0.4 2,-0.6 -0.945 17.5-141.4-115.3 143.9 33.0 18.3 17.7 384 425 A F E +j 303 0C 26 -2,-0.4 2,-0.3 -82,-0.2 -80,-0.2 -0.923 45.4 138.6-101.5 112.1 33.1 21.6 19.7 385 426 A Q - 0 0 98 -82,-1.3 -77,-0.2 -2,-0.6 -80,-0.1 -0.978 39.2-165.4-151.7 150.3 33.7 24.4 17.1 386 427 A K S S+ 0 0 63 -2,-0.3 7,-3.4 -82,-0.2 2,-0.4 0.372 74.8 53.8-119.6 -2.0 32.3 27.9 16.6 387 428 A K E -O 392 0G 110 5,-0.3 2,-0.3 3,-0.0 5,-0.2 -0.993 52.3-176.6-134.6 143.8 33.6 28.6 13.0 388 429 A A E > S-O 391 0G 9 3,-2.6 3,-2.5 -2,-0.4 -246,-0.1 -0.993 78.2 -12.0-135.7 133.5 33.2 26.8 9.7 389 430 A A T 3 S- 0 0 62 -2,-0.3 -353,-0.3 1,-0.3 -1,-0.1 0.875 129.0 -53.3 43.9 52.5 34.9 28.0 6.5 390 431 A D T 3 S+ 0 0 142 1,-0.1 2,-0.4 -355,-0.1 -1,-0.3 0.638 117.2 112.3 61.4 14.4 35.8 31.4 8.1 391 432 A T E < S-O 388 0G 2 -3,-2.5 -3,-2.6 -356,-0.1 -1,-0.1 -0.974 73.3-113.9-123.4 134.9 32.1 32.0 9.1 392 433 A A E -O 387 0G 27 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.3 -0.331 33.9-122.8 -63.5 137.2 30.8 32.1 12.7 393 434 A V + 0 0 14 -7,-3.4 2,-0.3 3,-0.1 -88,-0.2 -0.746 62.3 100.2 -84.2 127.3 28.5 29.2 13.3 394 435 A G S S- 0 0 15 -2,-0.6 4,-0.5 -261,-0.2 3,-0.2 -0.909 83.7 -77.7-178.0-167.9 24.9 30.2 14.5 395 436 A W S > S+ 0 0 4 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.635 103.1 86.1 -85.3 -18.1 21.5 30.6 13.1 396 437 A A H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 89.1 46.7 -55.7 -46.9 22.1 34.0 11.4 397 438 A L H > S+ 0 0 1 -5,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.964 114.2 47.1 -62.6 -49.4 23.4 32.8 8.1 398 439 A G H > S+ 0 0 1 -265,-0.5 4,-2.0 -4,-0.5 -1,-0.2 0.867 112.6 51.7 -60.4 -37.0 20.6 30.1 7.7 399 440 A Y H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.961 111.2 45.8 -60.9 -50.3 18.1 32.8 8.6 400 441 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.916 111.5 53.6 -60.9 -44.4 19.4 35.2 6.0 401 442 A L H <>S+ 0 0 0 -4,-3.0 5,-2.6 -5,-0.2 6,-0.6 0.892 111.3 45.5 -55.4 -43.4 19.5 32.4 3.4 402 443 A N H ><5S+ 0 0 90 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.964 115.9 43.7 -66.6 -49.5 15.9 31.6 4.0 403 444 A L H 3<5S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.799 117.5 45.2 -72.2 -27.5 14.6 35.2 3.9 404 445 A T T 3<5S- 0 0 36 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.425 108.6-127.6 -90.6 -2.6 16.7 36.1 0.9 405 446 A N T < 5 + 0 0 127 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.885 59.2 144.1 60.3 42.0 15.6 32.9 -0.8 406 447 A L < + 0 0 3 -5,-2.6 -4,-0.1 -6,-0.2 -1,-0.1 0.557 51.6 70.0 -93.2 -8.2 19.1 31.8 -1.6 407 448 A I S S- 0 0 27 -6,-0.6 2,-0.1 -5,-0.1 -1,-0.1 -0.933 79.0-143.3-106.1 113.7 18.6 28.1 -1.2 408 449 A P - 0 0 31 0, 0.0 -214,-2.6 0, 0.0 -213,-0.2 -0.473 9.7-140.5 -76.5 142.9 16.4 26.7 -3.9 409 450 A A S S+ 0 0 48 -216,-0.2 -214,-3.2 -215,-0.2 2,-0.3 0.914 92.6 22.2 -61.4 -44.0 14.0 23.9 -3.0 410 451 A D S S- 0 0 72 -216,-0.3 -1,-0.2 -215,-0.1 -216,-0.1 -0.908 88.7-108.7-124.9 146.1 14.9 22.3 -6.4 411 452 A L > - 0 0 42 -2,-0.3 3,-2.2 1,-0.1 -2,-0.0 -0.385 56.9 -77.3 -64.6 154.6 18.0 22.5 -8.7 412 453 A P G > S- 0 0 108 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.321 118.8 -0.5 -59.6 134.5 17.4 24.4 -12.1 413 454 A G G > S- 0 0 65 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.648 120.1 -81.7 58.0 19.1 15.6 22.2 -14.7 414 455 A L G X >S- 0 0 82 -3,-2.2 3,-1.8 1,-0.2 5,-0.6 0.763 76.1 -74.1 52.9 28.8 15.6 19.6 -11.8 415 456 A R G X 5S- 0 0 96 -3,-2.4 3,-2.1 1,-0.3 4,-0.2 0.945 85.7 -60.6 47.3 55.2 19.2 19.0 -13.2 416 457 A K G < 5S- 0 0 173 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.625 88.7 -76.4 49.7 19.0 17.6 17.2 -16.2 417 458 A G G X 5S+ 0 0 18 -3,-1.8 3,-2.2 -4,-0.3 -1,-0.3 0.437 96.9 135.3 73.4 4.0 16.2 14.7 -13.6 418 459 A T T < 5 + 0 0 63 -3,-2.1 -2,-0.1 1,-0.3 -3,-0.1 0.653 68.0 56.5 -56.0 -22.4 19.6 13.0 -13.2 419 460 A H T 3 < 0 0 45 -5,-0.6 -1,-0.3 -4,-0.2 -4,-0.1 0.205 360.0 360.0 -90.3 11.9 19.2 13.0 -9.4 420 461 A F < 0 0 196 -3,-2.2 -6,-0.0 -6,-0.1 0, 0.0 -0.381 360.0 360.0 -70.0 360.0 15.8 11.1 -9.5