==== 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 04-JUN-13 4BR5 . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 422 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 68.7 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 12.3 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 . 21 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 27.0 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 0 1 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 0 152 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.3 33.0 39.0 -9.8 2 37 A A - 0 0 54 22,-0.0 23,-2.6 1,-0.0 2,-0.3 -0.496 360.0-148.2 -61.7 129.9 30.3 41.5 -8.5 3 38 A L E -A 24 0A 56 21,-0.3 2,-0.3 -2,-0.2 -1,-0.0 -0.763 8.5-154.5-104.2 153.3 29.5 40.7 -4.9 4 39 A K E -A 23 0A 81 19,-3.4 19,-2.0 -2,-0.3 2,-0.3 -0.853 12.5-151.5-117.8 162.0 26.3 41.1 -3.0 5 40 A Y E -A 22 0A 19 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.881 12.8-176.4-130.2 158.0 25.9 41.6 0.8 6 41 A G E -A 21 0A 0 15,-1.9 15,-3.5 -2,-0.3 2,-0.4 -0.977 12.0-149.0-152.7 154.9 23.4 40.9 3.5 7 42 A I E -Ab 20 82A 0 74,-2.6 76,-2.2 -2,-0.3 2,-0.4 -0.979 9.3-174.7-130.2 136.7 23.3 41.7 7.2 8 43 A V E -Ab 19 83A 0 11,-2.4 11,-2.9 -2,-0.4 2,-0.6 -0.996 13.0-154.0-126.0 132.8 21.8 40.0 10.2 9 44 A L E -Ab 18 84A 0 74,-2.9 76,-2.6 -2,-0.4 2,-0.8 -0.925 11.3-153.7 -99.4 123.5 21.7 41.3 13.8 10 45 A D E -Ab 17 85A 18 7,-3.1 7,-2.0 -2,-0.6 2,-1.4 -0.861 8.0-165.0 -93.2 104.3 21.5 38.3 16.2 11 46 A A E +Ab 16 86A 1 74,-3.4 76,-1.7 -2,-0.8 79,-0.3 -0.696 20.2 179.2 -97.6 84.3 19.8 39.9 19.2 12 47 A G - 0 0 5 3,-1.6 35,-0.4 -2,-1.4 36,-0.3 -0.213 43.3 -98.4 -83.6 179.2 20.6 37.2 21.7 13 48 A S S S+ 0 0 26 1,-0.2 33,-0.6 33,-0.1 36,-0.1 0.827 119.7 23.3 -68.3 -33.7 19.7 37.1 25.4 14 49 A S S S+ 0 0 61 1,-0.3 2,-0.3 31,-0.2 -1,-0.2 0.529 130.6 6.9-108.5 -7.4 23.1 38.3 26.6 15 50 A H - 0 0 63 30,-0.2 -3,-1.6 -3,-0.1 2,-0.4 -0.974 59.6-129.1-167.7 155.7 24.6 40.2 23.6 16 51 A T E -A 11 0A 0 26,-0.4 26,-2.6 -2,-0.3 2,-0.4 -0.967 26.4-172.3-115.9 133.9 23.7 41.5 20.1 17 52 A S E -AC 10 41A 6 -7,-2.0 -7,-3.1 -2,-0.4 2,-0.5 -0.985 13.3-144.2-120.6 150.3 26.2 40.6 17.3 18 53 A M E -AC 9 40A 0 22,-3.4 22,-1.9 -2,-0.4 2,-0.5 -0.909 13.1-167.9-110.8 127.1 26.1 41.9 13.8 19 54 A F E -AC 8 39A 25 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.5 -0.968 5.2-162.8-115.0 131.3 27.1 39.6 10.8 20 55 A V E -AC 7 38A 0 18,-2.5 17,-3.4 -2,-0.5 18,-1.4 -0.952 14.5-167.5-109.5 128.0 27.7 41.0 7.3 21 56 A Y E -AC 6 36A 2 -15,-3.5 -15,-1.9 -2,-0.5 2,-0.3 -0.817 3.8-168.7-112.8 153.6 27.7 38.2 4.7 22 57 A K E +AC 5 35A 70 13,-2.6 13,-2.2 -2,-0.3 -17,-0.2 -0.978 10.1 164.5-142.3 157.7 28.8 38.4 1.1 23 58 A W E -A 4 0A 2 -19,-2.0 -19,-3.4 -2,-0.3 2,-0.3 -0.981 43.2 -84.3-163.9 157.6 28.5 36.3 -2.0 24 59 A P E > -A 3 0A 24 0, 0.0 3,-1.1 0, 0.0 -21,-0.3 -0.606 33.5-132.9 -73.5 132.4 29.0 36.5 -5.8 25 60 A A G > S+ 0 0 33 -23,-2.6 3,-1.0 -2,-0.3 -22,-0.1 0.919 103.1 39.6 -41.8 -60.1 25.9 37.8 -7.8 26 61 A D G 3 S+ 0 0 133 -24,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.400 119.6 45.1 -85.3 9.4 25.9 35.1 -10.5 27 62 A K G X S+ 0 0 114 -3,-1.1 3,-1.8 1,-0.1 -1,-0.2 0.183 75.3 121.1-123.4 20.6 26.8 32.1 -8.2 28 63 A E T < + 0 0 48 -3,-1.0 6,-0.2 1,-0.3 -2,-0.1 0.670 70.0 52.1 -66.5 -22.3 24.3 33.0 -5.3 29 64 A N T 3 S+ 0 0 76 381,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.445 81.1 108.0 -93.8 -3.4 22.3 29.8 -5.4 30 65 A D S X S- 0 0 86 -3,-1.8 3,-1.0 1,-0.1 4,-0.3 -0.499 80.7-107.6 -66.3 141.4 25.3 27.4 -5.1 31 66 A T T 3 S+ 0 0 15 1,-0.2 -1,-0.1 -2,-0.2 109,-0.1 -0.409 100.6 16.4 -68.1 150.2 25.4 25.8 -1.7 32 67 A G T 3 S+ 0 0 27 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.430 92.1 112.7 69.2 0.5 28.3 27.1 0.6 33 68 A I < + 0 0 53 -3,-1.0 2,-0.2 -6,-0.1 -2,-0.1 0.859 55.2 79.8 -73.2 -37.7 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 -0.544 62.7 171.6 -69.8 132.0 27.7 32.7 1.0 35 70 A G E -C 22 0A 19 -13,-2.2 -13,-2.6 -2,-0.2 2,-0.1 -0.968 38.5 -88.4-136.3 164.4 30.4 33.6 3.6 36 71 A Q E -C 21 0A 43 356,-0.3 -15,-0.3 -2,-0.3 3,-0.1 -0.461 31.9-177.9 -70.2 137.2 31.0 36.0 6.5 37 72 A H E - 0 0 60 -17,-3.4 2,-0.3 1,-0.4 -16,-0.2 0.732 64.8 -30.3 -98.4 -40.3 32.6 39.3 5.4 38 73 A S E -C 20 0A 22 -18,-1.4 -18,-2.5 2,-0.0 -1,-0.4 -0.958 55.8-154.0-165.8 174.7 32.8 41.0 8.9 39 74 A S E -C 19 0A 48 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.978 1.4-155.2-156.4 168.5 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 -0.984 12.4-140.2-150.7 135.9 30.7 43.5 15.2 41 76 A D E -C 17 0A 114 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.877 22.8-132.6 -99.3 123.9 29.8 42.9 18.8 42 77 A V - 0 0 11 -26,-2.6 -26,-0.4 -2,-0.6 2,-0.2 -0.558 25.1-117.1 -76.4 133.0 27.5 45.4 20.3 43 78 A Q S S+ 0 0 157 -2,-0.3 2,-0.1 17,-0.3 -1,-0.1 -0.453 74.9 13.8 -64.2 139.3 28.6 46.7 23.7 44 79 A G S S- 0 0 59 -2,-0.2 -28,-0.3 -29,-0.0 -2,-0.0 -0.435 101.0 -30.0 93.5-168.3 26.5 46.0 26.8 45 80 A G S S- 0 0 28 1,-0.2 -29,-0.2 -2,-0.1 -30,-0.2 0.005 73.3 -75.3 -79.6-174.9 23.6 43.5 27.3 46 81 A G > - 0 0 0 -33,-0.6 3,-1.7 -31,-0.2 4,-0.3 -0.229 48.3 -99.4 -73.3 171.6 21.0 42.1 24.9 47 82 A I G > S+ 0 0 0 -35,-0.4 3,-1.7 1,-0.3 10,-0.1 0.856 122.0 62.8 -67.2 -29.7 18.0 44.1 23.7 48 83 A S G > S+ 0 0 24 -36,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.715 88.7 71.6 -65.2 -18.1 15.7 42.4 26.3 49 84 A S G < S+ 0 0 73 -3,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.637 90.3 61.5 -74.1 -8.9 17.9 44.1 29.0 50 85 A Y G X + 0 0 43 -3,-1.7 3,-1.6 -4,-0.3 -1,-0.3 0.087 63.5 125.1-102.4 24.7 16.3 47.4 28.0 51 86 A A T < S+ 0 0 14 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.829 81.1 37.6 -52.1 -38.0 12.8 46.3 28.9 52 87 A N T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.416 127.4 36.1 -96.1 2.3 12.4 49.4 31.2 53 88 A D X + 0 0 87 -3,-1.6 3,-1.6 1,-0.1 4,-0.5 -0.456 69.2 171.2-147.7 63.6 14.3 51.8 29.0 54 89 A P T >> S+ 0 0 31 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.789 70.1 68.7 -61.5 -26.4 13.3 50.7 25.4 55 90 A S H 3> S+ 0 0 93 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.881 93.5 58.2 -53.6 -42.1 15.0 53.7 23.7 56 91 A K H <> S+ 0 0 104 -3,-1.6 4,-1.9 1,-0.2 -1,-0.3 0.737 93.0 68.9 -64.9 -21.5 18.4 52.5 24.7 57 92 A A H <> S+ 0 0 0 -3,-1.5 4,-0.5 -4,-0.5 -1,-0.2 0.963 105.4 39.5 -62.3 -49.6 17.8 49.2 22.8 58 93 A G H >< S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.3 4,-0.4 0.944 114.4 53.2 -61.5 -52.3 17.9 51.0 19.4 59 94 A Q H >< S+ 0 0 115 -4,-1.7 3,-1.6 1,-0.3 4,-0.4 0.830 97.4 67.4 -52.0 -35.1 20.8 53.3 20.4 60 95 A S H 3< S+ 0 0 23 -4,-1.9 4,-0.4 1,-0.3 3,-0.3 0.799 96.9 54.8 -58.3 -25.4 22.8 50.3 21.4 61 96 A L T S+ 0 0 35 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 0.883 82.1 49.0 -63.0 -46.3 24.5 52.5 16.4 63 98 A R H > S+ 0 0 196 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.931 116.1 44.0 -62.5 -45.0 28.3 51.8 16.7 64 99 A a H > S+ 0 0 3 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.924 112.4 52.6 -68.6 -37.8 27.9 48.4 14.9 65 100 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.887 106.4 53.7 -63.6 -36.1 25.6 49.9 12.3 66 101 A E H X S+ 0 0 79 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.855 106.7 53.1 -61.0 -35.1 28.2 52.6 11.7 67 102 A Q H X S+ 0 0 41 -4,-1.6 4,-2.5 1,-0.2 3,-0.3 0.898 103.8 56.2 -66.3 -42.0 30.7 49.8 11.1 68 103 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.828 101.1 57.0 -55.2 -38.9 28.4 48.2 8.5 69 104 A L H < S+ 0 0 42 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.9 40.0 -61.3 -37.0 28.3 51.4 6.5 70 105 A R H < S+ 0 0 177 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.823 115.5 51.8 -79.1 -32.4 32.1 51.2 6.3 71 106 A D H < S+ 0 0 37 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.807 105.3 58.5 -75.8 -33.3 32.2 47.3 5.7 72 107 A V S < S- 0 0 1 -4,-2.1 5,-0.1 -5,-0.2 -1,-0.1 -0.877 99.6-106.8-100.7 131.6 29.7 47.3 2.9 73 108 A P > - 0 0 46 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.229 30.6-122.2 -54.1 143.7 30.7 49.4 -0.3 74 109 A R G > S+ 0 0 207 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.849 108.1 59.1 -63.3 -38.4 28.5 52.5 -0.4 75 110 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.593 108.2 47.7 -72.3 -5.9 27.0 51.9 -3.8 76 111 A R G X S+ 0 0 72 -3,-1.7 3,-0.8 2,-0.1 4,-0.3 0.482 83.2 92.7-107.5 -4.5 25.6 48.6 -2.5 77 112 A H G X S+ 0 0 19 -3,-1.2 3,-2.1 -4,-0.5 41,-0.6 0.933 83.1 55.5 -50.9 -55.0 24.0 49.9 0.8 78 113 A A G 3 S+ 0 0 76 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.713 113.8 38.8 -53.1 -31.6 20.6 50.4 -0.8 79 114 A S G < S+ 0 0 82 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.206 89.2 104.6-109.6 11.6 20.2 46.9 -2.0 80 115 A T < - 0 0 1 -3,-2.1 38,-2.4 -4,-0.3 -74,-0.2 -0.873 69.9-132.4 -94.4 116.3 21.8 45.0 1.0 81 116 A P E - d 0 118A 8 0, 0.0 -74,-2.6 0, 0.0 2,-0.4 -0.456 19.0-160.5 -69.9 141.5 19.0 43.4 3.1 82 117 A L E +bd 7 119A 0 36,-2.5 38,-2.9 -76,-0.2 39,-0.4 -0.995 11.7 179.0-124.3 127.2 19.2 44.0 6.8 83 118 A Y E -b 8 0A 6 -76,-2.2 -74,-2.9 -2,-0.4 2,-0.4 -0.937 16.6-158.2-123.1 146.5 17.4 41.7 9.3 84 119 A L E -bd 9 122A 0 37,-2.3 39,-2.2 -2,-0.3 2,-0.4 -0.997 13.2-178.1-119.0 132.8 17.2 41.6 13.0 85 120 A G E -bd 10 123A 0 -76,-2.6 -74,-3.4 -2,-0.4 2,-0.3 -0.976 7.6-160.8-126.5 137.0 16.2 38.3 14.7 86 121 A A E -bd 11 124A 0 37,-2.1 39,-2.7 -2,-0.4 -74,-0.2 -0.903 8.4-169.7-120.5 151.7 15.8 38.0 18.5 87 122 A T >> - 0 0 7 -76,-1.7 4,-2.0 -2,-0.3 3,-0.9 0.164 51.1 -27.3-123.3-137.3 15.9 34.8 20.5 88 123 A A H 3> S+ 0 0 2 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.741 122.6 62.5 -66.5 -26.2 15.1 33.5 24.1 89 124 A G H 3> S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.927 112.1 39.4 -58.5 -41.2 15.8 36.8 25.9 90 125 A M H <> S+ 0 0 2 -3,-0.9 4,-2.2 -79,-0.3 -2,-0.2 0.847 111.8 56.3 -78.7 -31.9 12.9 38.3 24.0 91 126 A R H X S+ 0 0 42 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.909 110.2 47.0 -62.9 -38.4 10.8 35.2 24.3 92 127 A L H X S+ 0 0 11 -4,-2.8 4,-1.3 2,-0.2 3,-0.5 0.932 111.2 49.6 -67.2 -43.3 11.2 35.4 28.1 93 128 A L H X S+ 0 0 22 -4,-2.0 4,-3.4 1,-0.2 8,-0.3 0.864 105.3 59.7 -62.0 -32.7 10.4 39.2 28.1 94 129 A N H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 103.7 50.9 -66.4 -29.6 7.3 38.4 26.0 95 130 A L H < S+ 0 0 116 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.840 116.4 40.4 -70.5 -36.2 6.0 36.1 28.8 96 131 A T H < S- 0 0 86 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 138.2 -3.8 -80.7 -45.3 6.5 38.8 31.4 97 132 A S X - 0 0 23 -4,-3.4 4,-2.2 -5,-0.2 -1,-0.2 -0.650 48.1-173.6-158.8 97.0 5.3 41.8 29.3 98 133 A P H > S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.824 94.4 56.6 -58.4 -34.6 4.2 41.7 25.7 99 134 A E H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.941 107.5 44.6 -64.5 -46.1 3.9 45.5 25.9 100 135 A A H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 113.7 53.4 -64.7 -36.5 7.6 46.0 27.0 101 136 A T H X S+ 0 0 2 -4,-2.2 4,-2.3 -8,-0.3 5,-0.2 0.951 109.2 47.8 -60.0 -47.1 8.6 43.5 24.3 102 137 A A H X S+ 0 0 43 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.914 109.0 52.9 -64.0 -41.4 6.7 45.5 21.7 103 138 A R H X S+ 0 0 121 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 109.8 49.3 -62.5 -37.2 8.3 48.8 22.8 104 139 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.902 111.9 47.5 -66.3 -43.5 11.8 47.2 22.5 105 140 A L H X S+ 0 0 32 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.892 112.2 51.3 -65.1 -37.6 11.1 45.9 19.0 106 141 A E H X S+ 0 0 124 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.909 109.4 49.6 -63.8 -43.9 9.7 49.3 18.1 107 142 A A H X S+ 0 0 19 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.925 113.6 44.4 -64.5 -44.6 12.8 51.1 19.4 108 143 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.924 113.2 53.3 -64.5 -40.9 15.2 48.8 17.4 109 144 A T H X S+ 0 0 49 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.953 107.4 50.0 -54.9 -52.0 12.9 49.2 14.3 110 145 A Q H X S+ 0 0 117 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.915 113.8 46.2 -54.7 -45.4 13.0 53.0 14.5 111 146 A T H >< S+ 0 0 12 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.944 113.5 47.9 -62.5 -44.2 16.9 53.0 14.7 112 147 A L H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.853 104.6 58.9 -71.4 -31.2 17.3 50.4 11.9 113 148 A T H 3< S+ 0 0 75 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 94.5 66.7 -72.8 -19.2 14.9 52.2 9.5 114 149 A Q T << S+ 0 0 141 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.584 89.5 84.4 -72.9 -12.8 17.2 55.4 9.7 115 150 A Y S < S- 0 0 32 -3,-1.4 4,-0.2 -4,-0.3 -50,-0.0 -0.513 85.8-122.1 -92.4 159.7 19.9 53.5 7.9 116 151 A P S S+ 0 0 66 0, 0.0 -36,-0.1 0, 0.0 -1,-0.1 0.504 76.7 105.6 -87.7 -3.6 20.3 53.1 4.1 117 152 A F S S- 0 0 10 -5,-0.2 2,-1.4 1,-0.1 -39,-0.2 -0.237 90.3 -97.1 -64.1 159.6 20.2 49.3 4.0 118 153 A D E -d 81 0A 62 -38,-2.4 -36,-2.5 -41,-0.6 2,-0.5 -0.699 47.6-154.6 -82.8 91.8 17.1 47.5 2.8 119 154 A F E -d 82 0A 39 -2,-1.4 -36,-0.2 -38,-0.2 3,-0.1 -0.619 17.6-177.3 -76.7 121.5 15.7 46.9 6.3 120 155 A R E - 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0 0 34 -110,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.391 28.8-104.5 -76.7 169.1 39.7 26.5 45.3 343 381 A W H > S+ 0 0 40 -110,-3.3 4,-2.6 1,-0.2 5,-0.2 0.898 122.8 49.7 -66.4 -39.7 39.2 30.1 44.2 344 382 A T H > S+ 0 0 102 -111,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.937 112.3 49.0 -65.1 -38.0 42.9 30.9 44.7 345 383 A E H > S+ 0 0 90 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.902 112.8 46.8 -66.2 -39.4 43.8 27.8 42.6 346 384 A L H >< S+ 0 0 7 -4,-2.5 3,-1.6 1,-0.2 4,-0.4 0.968 112.0 49.8 -68.7 -48.0 41.4 28.7 39.8 347 385 A Q H >< S+ 0 0 63 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.854 100.4 65.4 -57.7 -37.2 42.5 32.3 39.7 348 386 A A H 3< S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.722 100.5 52.7 -56.4 -23.1 46.2 31.2 39.5 349 387 A R T << S+ 0 0 100 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.505 105.5 56.8 -86.5 -10.1 45.4 29.6 36.1 350 388 A V < + 0 0 24 -3,-1.8 -1,-0.2 -4,-0.4 7,-0.0 -0.847 58.2 178.6-130.3 93.3 43.9 32.8 34.6 351 389 A P + 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.714 66.9 49.5 -68.7 -21.3 46.3 35.7 34.7 352 390 A G S S- 0 0 45 1,-0.3 -2,-0.1 2,-0.0 0, 0.0 0.080 108.8 -14.4-101.2-153.4 43.9 38.2 33.0 353 391 A Q - 0 0 132 1,-0.1 -1,-0.3 -2,-0.0 0, 0.0 -0.149 52.3-152.2 -55.0 143.9 40.2 39.2 33.6 354 392 A K > + 0 0 72 -3,-0.1 3,-1.8 2,-0.1 4,-0.4 0.226 41.9 138.1-106.9 8.8 38.3 36.8 35.8 355 393 A T T 3 S+ 0 0 92 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.361 79.5 8.2 -64.4 142.0 34.7 37.2 34.6 356 394 A R T >> S+ 0 0 141 1,-0.1 3,-1.5 3,-0.0 4,-0.5 0.186 94.9 115.4 73.2 -7.5 32.8 33.9 34.4 357 395 A L G X4 S+ 0 0 4 -3,-1.8 3,-1.2 1,-0.3 4,-0.4 0.874 72.4 50.8 -64.4 -41.2 35.7 32.0 36.1 358 396 A A G 34 S+ 0 0 7 -4,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.617 108.7 57.2 -68.0 -13.4 33.7 31.0 39.2 359 397 A D G <> S+ 0 0 40 -3,-1.5 4,-2.2 1,-0.1 -1,-0.2 0.544 78.0 86.9 -93.9 -8.0 31.0 29.7 36.9 360 398 A Y H S+ 0 0 8 -4,-0.4 4,-2.7 -131,-0.2 -1,-0.2 0.962 112.0 43.1 -56.5 -48.9 32.4 24.3 37.3 362 400 A A H > S+ 0 0 0 -4,-0.3 4,-2.5 -132,-0.3 -1,-0.2 0.918 116.5 46.1 -64.8 -40.7 28.6 24.7 37.2 363 401 A V H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.919 113.2 49.4 -73.0 -36.9 28.4 25.1 33.4 364 402 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.932 112.7 48.2 -68.7 -41.8 30.7 22.2 32.7 365 403 A M H X S+ 0 0 11 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.910 111.5 50.6 -62.2 -42.9 28.7 20.0 35.1 366 404 A F H X S+ 0 0 1 -4,-2.5 4,-3.4 -5,-0.2 -2,-0.2 0.936 110.9 48.1 -59.6 -45.7 25.5 21.2 33.4 367 405 A I H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.931 110.8 50.7 -66.1 -43.9 26.9 20.3 29.9 368 406 A H H X S+ 0 0 16 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.933 115.6 41.7 -57.7 -46.8 28.0 16.9 31.0 369 407 A Q H X>S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 5,-2.0 0.894 112.2 55.2 -66.8 -43.9 24.6 16.1 32.5 370 408 A L H <>S+ 0 0 0 -4,-3.4 5,-3.0 -5,-0.2 6,-0.3 0.948 114.9 38.9 -53.8 -47.1 22.7 17.6 29.5 371 409 A L H <5S+ 0 0 0 -4,-2.7 6,-2.9 3,-0.2 5,-0.2 0.921 128.4 30.9 -69.9 -43.4 24.5 15.4 27.0 372 410 A S H <5S+ 0 0 35 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.949 134.5 23.2 -86.1 -49.5 24.6 12.2 29.1 373 411 A R T <5S+ 0 0 81 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.787 131.3 38.9 -83.3 -36.0 21.4 12.3 31.2 374 412 A G T - 0 0 65 -2,-0.2 4,-2.9 1,-0.0 5,-0.2 -0.664 44.1 -80.2-124.9-172.5 26.9 7.6 25.4 379 417 A E H > S+ 0 0 72 -2,-0.2 4,-1.5 1,-0.2 -2,-0.0 0.930 128.9 49.6 -60.1 -38.4 30.6 7.0 24.6 380 418 A R H 4 S+ 0 0 169 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.930 117.3 37.5 -65.4 -46.1 29.9 5.8 21.1 381 419 A S H >4 S+ 0 0 20 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.853 112.0 59.8 -76.1 -31.5 27.6 8.6 20.1 382 420 A F H >< S+ 0 0 6 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.841 91.6 69.2 -66.9 -27.1 29.7 11.2 21.9 383 421 A R T 3< S+ 0 0 161 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.706 95.4 56.3 -59.5 -20.4 32.8 10.3 19.8 384 422 A E T < S+ 0 0 72 -3,-1.5 -80,-2.0 -4,-0.3 2,-0.4 0.354 86.5 99.1 -96.6 3.8 31.0 11.9 16.8 385 423 A V E < -j 304 0C 14 -3,-2.1 2,-0.4 -82,-0.2 -80,-0.2 -0.792 52.0-169.5 -92.3 129.7 30.5 15.3 18.6 386 424 A V E -j 305 0C 69 -82,-2.5 -80,-2.8 -2,-0.4 2,-0.7 -0.944 17.3-140.0-115.3 146.4 33.0 18.1 17.7 387 425 A F E +j 306 0C 29 -2,-0.4 2,-0.3 -82,-0.2 -80,-0.2 -0.931 45.2 138.6-106.4 112.2 33.2 21.4 19.6 388 426 A Q - 0 0 103 -82,-1.2 -77,-0.2 -2,-0.7 3,-0.1 -0.975 38.2-166.0-152.8 147.8 33.7 24.2 17.1 389 427 A K S S+ 0 0 77 -2,-0.3 7,-3.0 -82,-0.2 2,-0.3 0.393 74.1 48.0-118.7 -1.4 32.4 27.7 16.7 390 428 A K E -N 395 0G 106 5,-0.3 2,-0.3 -83,-0.0 5,-0.2 -0.987 52.4-176.2-139.7 149.0 33.4 28.5 13.1 391 429 A A E > S-N 394 0G 10 3,-2.8 3,-1.8 -2,-0.3 -249,-0.1 -0.987 77.0 -6.2-142.6 134.5 33.3 26.8 9.7 392 430 A A T 3 S- 0 0 64 -2,-0.3 -356,-0.3 1,-0.3 -1,-0.1 0.926 129.2 -56.4 48.8 50.2 34.8 28.1 6.5 393 431 A D T 3 S+ 0 0 131 1,-0.2 2,-0.4 -358,-0.1 -1,-0.3 0.675 117.0 112.8 56.5 20.8 35.7 31.5 8.2 394 432 A T E < S-N 391 0G 1 -3,-1.8 -3,-2.8 -359,-0.1 -1,-0.2 -0.978 73.1-114.6-124.4 132.9 32.1 32.0 9.2 395 433 A A E -N 390 0G 28 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.430 32.7-123.4 -59.1 136.8 30.8 32.0 12.8 396 434 A V + 0 0 14 -7,-3.0 -88,-0.3 -2,-0.1 2,-0.3 -0.735 62.4 102.5 -88.2 127.6 28.4 29.1 13.4 397 435 A G S S- 0 0 15 -2,-0.5 4,-0.4 -264,-0.2 -260,-0.2 -0.882 84.5 -77.9-176.9-171.5 24.9 30.1 14.7 398 436 A W S > S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 0.645 104.2 87.7 -79.5 -18.6 21.4 30.6 13.3 399 437 A A H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.883 88.4 44.5 -55.9 -47.7 22.1 34.0 11.6 400 438 A L H > S+ 0 0 1 -5,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.964 114.4 48.1 -62.0 -49.8 23.4 32.7 8.3 401 439 A G H > S+ 0 0 1 -268,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.882 112.3 52.6 -58.0 -40.9 20.6 30.0 7.8 402 440 A Y H X S+ 0 0 16 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.943 110.8 45.3 -56.7 -49.9 18.1 32.8 8.7 403 441 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.888 111.5 54.1 -61.8 -42.4 19.5 35.2 6.1 404 442 A L H <>S+ 0 0 0 -4,-3.0 5,-2.5 -5,-0.2 6,-0.5 0.925 111.8 44.0 -59.8 -43.1 19.6 32.3 3.5 405 443 A N H ><5S+ 0 0 92 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.959 116.4 44.2 -66.4 -50.4 15.9 31.6 4.1 406 444 A L H 3<5S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.791 116.4 46.8 -70.2 -24.5 14.7 35.2 4.1 407 445 A T T 3<5S- 0 0 28 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.413 108.0-127.7 -94.7 1.8 16.7 36.1 1.1 408 446 A N T < 5 + 0 0 129 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.874 60.0 144.4 53.9 43.5 15.6 32.9 -0.7 409 447 A L < + 0 0 2 -5,-2.5 -4,-0.1 -6,-0.2 -1,-0.1 0.441 50.3 69.7 -96.9 1.1 19.1 31.8 -1.5 410 448 A I S S- 0 0 26 -6,-0.5 -1,-0.1 -5,-0.1 2,-0.1 -0.961 79.7-141.7-113.6 113.3 18.6 28.0 -1.1 411 449 A P - 0 0 31 0, 0.0 -217,-3.0 0, 0.0 -216,-0.2 -0.426 9.0-140.3 -71.6 142.4 16.5 26.6 -3.9 412 450 A A S S+ 0 0 48 -219,-0.2 -217,-3.0 -218,-0.2 2,-0.3 0.852 92.6 21.2 -61.1 -41.5 14.0 23.8 -3.1 413 451 A D S S- 0 0 68 -219,-0.3 -219,-0.2 -218,-0.1 -1,-0.2 -0.934 89.5-105.8-127.0 153.4 15.0 22.2 -6.4 414 452 A L > - 0 0 42 -2,-0.3 3,-2.3 1,-0.1 4,-0.0 -0.391 60.0 -76.7 -69.2 156.6 18.1 22.5 -8.7 415 453 A P G > S+ 0 0 104 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.298 120.1 0.4 -57.9 132.3 17.6 24.5 -12.0 416 454 A G G > S- 0 0 60 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.672 120.2 -81.6 64.4 17.3 15.6 22.3 -14.5 417 455 A L G X >S- 0 0 80 -3,-2.3 3,-1.9 1,-0.2 5,-0.5 0.750 74.8 -76.4 54.2 23.5 15.6 19.6 -11.8 418 456 A R G X 5S- 0 0 97 -3,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.905 83.6 -64.0 50.7 44.6 19.2 19.0 -13.2 419 457 A K G < 5S- 0 0 171 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.693 88.4 -71.1 54.1 23.1 17.3 17.2 -16.1 420 458 A G G X 5S+ 0 0 18 -3,-1.9 3,-1.6 -4,-0.2 -1,-0.3 0.577 96.8 135.4 73.4 12.5 16.0 14.6 -13.5 421 459 A T T < 5S+ 0 0 61 -3,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.612 71.2 51.0 -67.1 -16.4 19.5 13.0 -13.0 422 460 A H T 3 < 0 0 45 -5,-0.5 -1,-0.3 -4,-0.1 -4,-0.1 0.307 360.0 360.0 -96.3 9.8 19.0 12.9 -9.2 423 461 A F < 0 0 198 -3,-1.6 -6,-0.0 -6,-0.1 -228,-0.0 -0.012 360.0 360.0 -63.0 360.0 15.5 11.2 -9.3