==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-10 2XRG . COMPND 2 MOLECULE: ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.HAUSMANN,H.M.H.G.ALBERS,A.PERRAKIS . 758 5 14 11 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 55.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 1 0.1 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 . 35 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 6 0 3 3 1 3 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 1 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 PARALLEL BRIDGES PER LADDER . 5 4 1 5 3 0 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 3 1 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 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 56 A G 0 0 98 0, 0.0 2,-0.3 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 40.0 -28.3 18.9 33.0 2 57 A S - 0 0 34 2,-0.1 18,-0.1 16,-0.1 32,-0.0 -0.930 360.0-135.0-136.0 157.6 -29.2 15.2 33.6 3 58 A a >> + 0 0 0 -2,-0.3 3,-1.8 16,-0.1 4,-0.5 0.280 57.7 135.5 -95.1 9.0 -30.3 12.2 31.4 4 59 A K T 34 S- 0 0 164 1,-0.3 -2,-0.1 2,-0.2 30,-0.0 -0.453 85.9 -3.3 -64.7 115.1 -33.0 11.1 34.0 5 60 A G T 34 S+ 0 0 88 -2,-0.3 -1,-0.3 1,-0.0 -2,-0.0 0.796 122.4 83.9 68.8 32.9 -36.2 10.2 32.0 6 61 A R T X4 + 0 0 67 -3,-1.8 3,-1.2 3,-0.1 -2,-0.2 0.245 52.2 144.9-141.9 2.8 -34.4 11.3 28.8 7 62 A b T 3< S- 0 0 51 -4,-0.5 14,-0.1 1,-0.3 15,-0.0 -0.317 79.9 -4.5 -58.3 125.0 -32.5 8.2 27.7 8 63 A F T 3 S- 0 0 9 12,-1.6 -1,-0.3 1,-0.2 13,-0.2 0.861 89.2-169.5 55.2 46.3 -32.3 7.7 23.9 9 64 A E < - 0 0 30 -3,-1.2 13,-0.2 11,-0.8 -1,-0.2 -0.416 23.2-142.8 -67.1 134.6 -34.7 10.8 23.3 10 65 A L S S+ 0 0 62 -2,-0.1 2,-0.2 11,-0.1 -1,-0.1 0.805 81.3 73.7 -67.8 -34.0 -36.0 11.2 19.7 11 66 A Q S S- 0 0 140 1,-0.0 2,-0.5 10,-0.0 -2,-0.1 -0.570 82.4-126.1 -84.1 145.8 -35.7 15.0 19.8 12 67 A E - 0 0 140 -2,-0.2 2,-0.2 7,-0.1 -2,-0.1 -0.832 26.6-162.2 -97.5 127.9 -32.3 16.9 19.6 13 68 A V - 0 0 43 -2,-0.5 6,-0.1 4,-0.1 8,-0.1 -0.612 25.4 -18.1-105.3 163.1 -31.6 19.4 22.4 14 69 A G - 0 0 44 -2,-0.2 4,-0.1 1,-0.2 -2,-0.0 -0.069 24.9-130.1 77.3-177.7 -29.0 22.2 22.8 15 70 A P S S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.572 114.9 6.9 -79.9 157.3 -26.6 24.0 22.3 16 71 A P S S+ 0 0 137 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.986 110.7 91.8 -97.0 0.9 -25.3 24.4 25.0 17 72 A D S S- 0 0 56 1,-0.1 2,-0.1 14,-0.0 -4,-0.1 -0.282 84.6-103.1 -58.5 134.6 -27.5 21.9 27.0 18 73 A c - 0 0 33 1,-0.1 12,-0.2 -4,-0.1 2,-0.2 -0.382 35.7-129.3 -66.4 134.4 -26.1 18.3 27.2 19 74 A R B -a 30 0A 23 10,-2.5 12,-0.9 -2,-0.1 15,-0.1 -0.505 18.1-167.5 -85.9 152.1 -27.7 15.7 24.9 20 75 A a + 0 0 0 -2,-0.2 -12,-1.6 10,-0.2 -11,-0.8 -0.074 52.7 113.3-128.3 29.8 -29.1 12.2 25.9 21 76 A D S > S- 0 0 7 -13,-0.2 3,-0.8 -14,-0.1 4,-0.3 -0.492 81.1-103.5 -99.7 168.9 -29.4 10.8 22.3 22 77 A N T 3 S+ 0 0 2 1,-0.2 199,-0.7 -13,-0.2 202,-0.1 0.172 117.5 53.3 -79.3 17.8 -27.6 7.9 20.5 23 78 A L T >> S+ 0 0 32 197,-0.1 3,-1.1 2,-0.1 4,-1.0 0.534 80.5 87.2-122.4 -20.2 -25.5 10.4 18.4 24 79 A d H <>>S+ 0 0 0 -3,-0.8 5,-1.9 1,-0.2 4,-0.8 0.716 79.2 66.6 -54.3 -31.3 -24.0 12.6 21.3 25 80 A K H 345S+ 0 0 63 -4,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.855 102.6 45.5 -60.6 -40.2 -21.0 10.2 21.7 26 81 A S H <45S+ 0 0 36 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.812 118.1 42.1 -73.8 -34.3 -19.6 11.1 18.2 27 82 A Y H <5S- 0 0 89 -4,-1.0 -2,-0.2 167,-0.0 -1,-0.2 0.477 108.2-129.3 -88.6 -6.5 -20.2 14.9 18.7 28 83 A S T <5S+ 0 0 87 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.926 70.7 120.8 53.4 56.7 -18.8 14.6 22.3 29 84 A S < + 0 0 41 -5,-1.9 -10,-2.5 2,-0.1 2,-0.2 -0.108 30.8 126.4-138.7 38.7 -21.8 16.4 24.0 30 85 A d B -a 19 0A 36 -6,-0.3 -10,-0.2 -12,-0.2 -12,-0.1 -0.616 61.8-104.9 -95.1 158.7 -23.4 13.9 26.5 31 86 A c > - 0 0 7 -12,-0.9 3,-1.0 -2,-0.2 4,-0.4 -0.339 30.7-112.8 -75.1 161.7 -24.0 14.6 30.2 32 87 A H T > S+ 0 0 166 -31,-0.2 3,-0.5 1,-0.2 4,-0.2 0.856 117.8 53.1 -63.9 -35.6 -21.7 13.0 32.8 33 88 A D T 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.1 3,-0.4 0.436 84.7 89.2 -79.4 -3.9 -24.6 10.8 34.1 34 89 A F H <>>S+ 0 0 0 -3,-1.0 4,-2.1 1,-0.2 5,-0.9 0.887 85.0 51.6 -60.6 -45.5 -25.4 9.4 30.5 35 90 A D H <45S+ 0 0 82 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.713 117.0 40.0 -65.3 -25.9 -23.0 6.5 30.8 36 91 A E H 45S+ 0 0 112 -3,-0.4 -2,-0.2 -4,-0.2 -1,-0.2 0.847 122.3 37.5 -90.3 -44.7 -24.6 5.4 34.1 37 92 A L H <5S+ 0 0 64 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.908 128.0 27.8 -76.4 -49.8 -28.3 6.0 33.4 38 93 A b T <5S+ 0 0 2 -4,-2.1 2,-0.7 -5,-0.3 -3,-0.2 0.878 115.2 57.8 -84.2 -43.5 -28.6 4.9 29.7 39 94 A L < + 0 0 30 -5,-0.9 2,-0.4 185,-0.0 -1,-0.2 -0.836 65.4 173.5 -97.5 109.4 -25.8 2.3 29.3 40 95 A K + 0 0 39 -2,-0.7 20,-0.1 1,-0.1 -4,-0.1 -0.961 17.3 168.3-120.7 134.6 -26.2 -0.7 31.8 41 96 A T > + 0 0 113 -2,-0.4 3,-1.5 18,-0.2 -1,-0.1 0.711 32.9 129.6-109.9 -35.5 -24.0 -3.8 31.8 42 97 A A T 3 S- 0 0 42 17,-0.4 19,-2.1 1,-0.2 20,-0.3 0.083 81.2 -3.1 -35.4 122.8 -24.9 -5.6 35.2 43 98 A R T 3 S- 0 0 167 17,-0.2 3,-0.4 18,-0.1 -1,-0.2 0.576 107.4-104.1 64.6 22.1 -25.9 -9.3 35.0 44 99 A G < - 0 0 32 -3,-1.5 18,-0.7 1,-0.2 17,-0.3 -0.085 40.3 -70.5 66.5-164.6 -25.7 -9.6 31.2 45 100 A W S S+ 0 0 50 16,-0.1 31,-0.5 30,-0.0 2,-0.4 0.197 102.8 85.3-111.7 10.2 -28.4 -9.7 28.5 46 101 A E - 0 0 113 -3,-0.4 2,-0.5 29,-0.1 16,-0.1 -0.961 66.3-140.9-122.3 134.6 -29.7 -13.3 29.4 47 102 A e - 0 0 2 -2,-0.4 2,-0.2 16,-0.1 34,-0.1 -0.814 21.2-156.6 -95.2 124.4 -32.3 -14.4 32.0 48 103 A T >> - 0 0 76 -2,-0.5 3,-1.1 1,-0.1 4,-0.8 -0.580 29.2-111.4 -98.5 162.3 -31.5 -17.7 33.9 49 104 A K T 34 S+ 0 0 178 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.759 120.5 52.2 -60.8 -30.5 -33.9 -20.1 35.7 50 105 A D T 34 S+ 0 0 164 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.585 106.9 53.9 -81.9 -14.0 -32.3 -19.1 39.1 51 106 A R T <4 S+ 0 0 7 -3,-1.1 -2,-0.2 3,-0.1 -1,-0.2 0.608 83.1 109.6 -93.8 -18.0 -33.0 -15.4 38.2 52 107 A f S < S+ 0 0 36 -4,-0.8 13,-0.1 1,-0.2 12,-0.0 -0.387 75.6 27.7 -64.2 133.6 -36.8 -15.9 37.6 53 108 A G S S+ 0 0 73 11,-0.9 2,-0.2 1,-0.2 -1,-0.2 0.978 89.2 151.4 75.5 64.8 -39.0 -14.4 40.2 54 109 A E - 0 0 49 10,-0.4 12,-0.4 -3,-0.1 2,-0.3 -0.781 48.8-104.1-122.4 165.8 -36.9 -11.5 41.4 55 110 A V - 0 0 129 -2,-0.2 2,-0.2 10,-0.1 9,-0.1 -0.749 47.8-100.2 -91.4 134.5 -37.2 -8.0 43.0 56 111 A R - 0 0 41 -2,-0.3 2,-0.5 7,-0.1 -1,-0.1 -0.400 38.2-172.0 -61.2 122.5 -36.6 -5.0 40.6 57 112 A N > - 0 0 71 -2,-0.2 3,-1.1 1,-0.0 2,-0.9 -0.987 21.1-143.0-119.1 121.3 -33.1 -3.4 41.0 58 113 A E T 3 S+ 0 0 107 -2,-0.5 -2,-0.1 1,-0.2 5,-0.0 -0.127 92.2 64.6 -80.3 40.4 -32.4 -0.2 39.1 59 114 A E T 3 S+ 0 0 143 -2,-0.9 -17,-0.4 -19,-0.0 -18,-0.2 0.519 78.6 96.6-129.0 -25.5 -28.8 -1.1 38.3 60 115 A N S < S- 0 0 14 -3,-1.1 -17,-0.2 -19,-0.1 3,-0.1 -0.293 71.2-129.5 -72.7 154.7 -29.2 -4.2 36.0 61 116 A A S S+ 0 0 9 -19,-2.1 2,-0.4 -17,-0.3 -16,-0.1 0.997 91.3 12.1 -66.2 -70.2 -29.2 -4.2 32.2 62 117 A g S S- 0 0 3 -18,-0.7 -1,-0.2 -20,-0.3 2,-0.2 -0.916 84.8-122.6-114.6 139.6 -32.5 -6.1 31.4 63 118 A H B -b 74 0B 8 10,-2.4 12,-1.1 -2,-0.4 15,-0.1 -0.545 19.3-172.4 -85.8 146.1 -35.1 -6.9 34.1 64 119 A e + 0 0 0 -2,-0.2 -11,-0.9 10,-0.2 -10,-0.4 0.201 50.3 115.2-118.2 11.4 -36.4 -10.4 35.1 65 120 A S S > S- 0 0 1 -12,-0.2 3,-1.4 -13,-0.1 4,-0.2 -0.398 77.1-114.1 -80.2 158.7 -39.2 -9.2 37.5 66 121 A E T > S+ 0 0 148 -12,-0.4 3,-0.8 1,-0.3 4,-0.3 0.787 113.5 62.8 -62.3 -31.9 -43.0 -9.9 36.8 67 122 A D T 3> S+ 0 0 74 1,-0.2 4,-0.7 2,-0.1 -1,-0.3 0.396 79.1 88.2 -75.7 -0.1 -43.6 -6.1 36.4 68 123 A h H <>>S+ 0 0 0 -3,-1.4 4,-3.3 1,-0.2 5,-1.1 0.796 78.5 60.7 -69.1 -33.6 -41.3 -5.9 33.4 69 124 A L H <45S+ 0 0 92 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.873 104.6 48.4 -61.5 -40.9 -44.1 -6.7 30.8 70 125 A S H 45S+ 0 0 105 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.725 120.5 39.4 -70.4 -26.1 -46.1 -3.6 31.8 71 126 A R H <5S- 0 0 145 -4,-0.7 -2,-0.2 -3,-0.2 -3,-0.1 0.935 102.4-126.4 -86.4 -61.3 -42.9 -1.5 31.5 72 127 A G T <5S+ 0 0 18 -4,-3.3 -3,-0.2 -5,-0.1 166,-0.1 0.652 76.1 107.5 112.7 34.0 -41.2 -3.0 28.4 73 128 A D < + 0 0 30 -5,-1.1 -10,-2.4 2,-0.0 -4,-0.1 -0.020 39.7 135.2-128.2 29.4 -37.7 -3.8 29.7 74 129 A h B -b 63 0B 17 -6,-0.3 -10,-0.2 -12,-0.2 2,-0.1 -0.368 61.5 -99.9 -74.1 158.2 -37.7 -7.7 30.0 75 130 A g > - 0 0 0 -12,-1.1 3,-1.7 -13,-0.1 4,-0.3 -0.453 35.6-108.5 -75.5 152.7 -34.7 -9.8 28.8 76 131 A T T 3 S+ 0 0 18 -31,-0.5 3,-0.2 1,-0.3 4,-0.1 0.733 118.7 44.2 -52.0 -31.2 -35.1 -11.4 25.3 77 132 A N T 3> S+ 0 0 24 -32,-0.3 4,-2.0 1,-0.1 5,-0.3 -0.070 79.3 110.1-108.3 30.4 -35.5 -14.9 26.8 78 133 A Y H <>>S+ 0 0 10 -3,-1.7 4,-2.0 2,-0.2 5,-1.0 0.957 82.7 40.8 -68.5 -53.8 -37.9 -14.0 29.7 79 134 A Q H 45S+ 0 0 13 -4,-0.3 6,-1.1 3,-0.2 5,-0.4 0.752 117.8 50.6 -65.8 -29.2 -41.1 -15.8 28.3 80 135 A V H 45S+ 0 0 29 4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.916 122.6 27.7 -75.4 -48.1 -38.9 -18.8 27.2 81 136 A V H <5S+ 0 0 44 -4,-2.0 -2,-0.2 3,-0.2 -3,-0.2 0.964 133.1 27.1 -80.8 -61.0 -37.1 -19.3 30.6 82 137 A f T <5S+ 0 0 39 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.971 130.0 35.3 -70.6 -59.9 -39.5 -18.1 33.3 83 138 A K S > - 0 0 68 -2,-0.2 4,-0.8 1,-0.1 3,-0.6 -0.448 30.3-116.0 -75.6 154.1 -38.5 -19.8 20.8 88 143 A W G >4 S+ 0 0 8 193,-0.2 3,-0.8 1,-0.2 -1,-0.1 0.881 114.8 57.0 -57.8 -42.3 -39.8 -18.2 17.5 89 144 A V G 34 S+ 0 0 37 1,-0.2 -1,-0.2 192,-0.1 -3,-0.0 0.768 102.3 54.5 -61.1 -32.3 -37.4 -20.3 15.4 90 145 A D G <4 S+ 0 0 114 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.714 90.7 93.7 -77.2 -23.2 -38.8 -23.7 16.8 91 146 A D S << S- 0 0 63 -4,-0.8 2,-0.1 -3,-0.8 3,-0.0 -0.340 84.6-100.2 -71.1 151.6 -42.4 -22.8 15.9 92 147 A D - 0 0 158 1,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.335 40.7 -96.4 -72.1 153.1 -44.0 -24.0 12.6 93 148 A i - 0 0 39 -2,-0.1 2,-0.3 42,-0.0 -1,-0.1 -0.617 48.0-179.4 -76.1 117.0 -44.3 -21.7 9.5 94 149 A E - 0 0 143 -2,-0.5 2,-0.1 -3,-0.0 -3,-0.0 -0.959 29.7-103.9-125.3 141.1 -47.8 -20.1 9.3 95 150 A E - 0 0 78 -2,-0.3 2,-0.6 1,-0.1 44,-0.0 -0.337 21.5-158.4 -63.5 133.3 -49.4 -17.6 6.7 96 151 A I + 0 0 9 324,-0.2 324,-0.1 1,-0.2 -1,-0.1 -0.910 26.8 156.3-115.3 94.0 -49.8 -13.9 7.7 97 152 A K + 0 0 149 -2,-0.6 -1,-0.2 1,-0.2 367,-0.0 0.891 67.3 31.2 -85.2 -47.8 -52.5 -12.5 5.4 98 153 A V S S- 0 0 103 196,-0.0 -1,-0.2 2,-0.0 2,-0.2 -0.944 95.6-103.2-115.3 133.0 -53.8 -9.5 7.4 99 154 A P - 0 0 58 0, 0.0 2,-1.1 0, 0.0 196,-0.2 -0.393 24.1-148.9 -61.2 122.6 -51.5 -7.5 9.8 100 155 A E + 0 0 107 194,-2.5 194,-0.3 -2,-0.2 195,-0.2 -0.400 42.4 149.6 -89.6 55.2 -52.2 -8.5 13.5 101 156 A j - 0 0 37 -2,-1.1 3,-0.1 194,-0.2 191,-0.1 -0.577 49.2-103.0 -86.2 149.7 -51.3 -5.1 14.9 102 157 A P > - 0 0 64 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.241 49.2 -77.8 -71.5 164.6 -53.0 -3.8 18.1 103 158 A A T 3 S+ 0 0 108 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.433 117.7 39.0 -64.7 125.9 -55.8 -1.1 18.1 104 159 A G T 3 S+ 0 0 49 1,-0.4 2,-0.5 -2,-0.2 -1,-0.2 0.174 79.1 126.8 117.1 -12.7 -54.4 2.4 17.6 105 160 A F < - 0 0 40 -3,-1.5 -1,-0.4 1,-0.2 -4,-0.1 -0.681 36.7-172.7 -79.6 120.8 -51.7 1.4 15.0 106 161 A V S S+ 0 0 127 -2,-0.5 -1,-0.2 1,-0.3 140,-0.0 0.890 72.3 7.1 -79.4 -46.0 -52.1 3.6 11.8 107 162 A R S S- 0 0 67 0, 0.0 -1,-0.3 0, 0.0 338,-0.1 -0.975 84.5-101.0-138.1 147.7 -49.4 1.7 9.7 108 163 A P - 0 0 31 0, 0.0 188,-0.1 0, 0.0 138,-0.1 -0.580 48.7-115.0 -73.1 124.3 -47.4 -1.5 10.2 109 164 A P - 0 0 3 0, 0.0 188,-2.4 0, 0.0 2,-0.4 -0.180 21.7-140.8 -61.7 152.7 -43.8 -0.6 11.3 110 165 A L E -cd 247 297C 2 136,-1.6 138,-2.5 186,-0.2 2,-0.4 -0.956 11.8-168.3-116.9 131.1 -40.7 -1.3 9.2 111 166 A I E -cd 248 298C 1 186,-1.9 188,-2.0 -2,-0.4 2,-0.6 -0.985 9.3-153.6-120.8 121.1 -37.3 -2.5 10.6 112 167 A I E -cd 249 299C 20 136,-1.9 138,-3.1 -2,-0.4 2,-0.8 -0.871 5.2-166.4 -99.0 114.2 -34.2 -2.5 8.3 113 168 A F E -cd 250 300C 12 186,-3.0 188,-2.0 -2,-0.6 2,-0.4 -0.833 13.6-174.0-102.0 91.0 -31.5 -5.1 9.4 114 169 A S E -cd 251 301C 15 136,-2.4 138,-1.1 -2,-0.8 2,-0.4 -0.791 4.9-167.5 -94.4 128.2 -28.4 -4.1 7.4 115 170 A V E > -cd 252 302C 3 186,-2.4 3,-0.7 -2,-0.4 188,-0.5 -0.959 18.5-127.1-118.4 131.1 -25.2 -6.3 7.5 116 171 A D E 3 S-c 255 0C 6 136,-1.9 140,-0.9 138,-0.6 141,-0.1 -0.633 84.4 -4.4 -81.7 128.5 -21.7 -5.3 6.3 117 172 A G T 3 S+ 0 0 0 -2,-0.4 2,-1.1 1,-0.2 -1,-0.2 0.764 76.1 162.5 62.9 35.1 -20.0 -7.6 3.8 118 173 A F < - 0 0 0 -3,-0.7 297,-0.5 186,-0.1 -1,-0.2 -0.750 30.5-145.9 -87.6 99.2 -22.5 -10.5 3.7 119 174 A R > - 0 0 24 -2,-1.1 3,-1.8 295,-0.1 4,-0.3 -0.404 14.7-125.7 -64.3 137.8 -21.6 -12.4 0.5 120 175 A A G > S+ 0 0 18 293,-1.9 3,-0.8 1,-0.3 4,-0.1 0.756 107.8 61.1 -56.2 -30.4 -24.7 -13.9 -1.3 121 176 A S G > S+ 0 0 56 292,-0.2 3,-0.8 1,-0.2 -1,-0.3 0.485 82.4 79.1 -78.5 -6.7 -23.0 -17.4 -1.3 122 177 A Y G X S+ 0 0 4 -3,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.752 82.4 67.4 -70.5 -25.9 -22.9 -17.5 2.6 123 178 A M G < S+ 0 0 33 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.726 83.1 73.9 -64.2 -26.6 -26.7 -18.5 2.5 124 179 A K G < S+ 0 0 195 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.603 76.8 102.9 -64.1 -15.7 -25.7 -21.8 0.9 125 180 A K S < S- 0 0 82 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.330 86.2 -74.6 -69.6 153.0 -24.4 -23.0 4.3 126 181 A G >> - 0 0 47 1,-0.1 4,-1.2 3,-0.1 3,-0.7 0.133 31.6-117.6 -47.9 157.3 -26.5 -25.4 6.4 127 182 A S T 34 S+ 0 0 67 1,-0.2 7,-0.2 2,-0.2 6,-0.1 0.772 113.3 61.8 -67.9 -29.4 -29.7 -24.6 8.4 128 183 A K T 34 S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.705 100.9 53.8 -70.8 -22.3 -27.9 -25.6 11.7 129 184 A V T <4 S+ 0 0 25 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.951 128.8 13.7 -75.0 -53.9 -25.3 -22.8 11.1 130 185 A M S X S+ 0 0 6 -4,-1.2 4,-2.0 1,-0.1 -1,-0.2 -0.697 72.3 162.4-123.6 76.9 -28.0 -20.0 10.7 131 186 A P H > S+ 0 0 41 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.850 76.4 47.1 -66.2 -37.7 -31.4 -21.3 11.9 132 187 A N H > S+ 0 0 12 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.838 114.5 47.5 -71.7 -35.0 -33.2 -17.9 12.4 133 188 A I H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 108.8 53.9 -73.1 -40.2 -32.0 -16.6 8.9 134 189 A E H X S+ 0 0 65 -4,-2.0 4,-1.6 -7,-0.2 -1,-0.2 0.732 107.5 51.9 -67.6 -23.9 -33.0 -19.8 7.1 135 190 A K H X S+ 0 0 18 -4,-0.9 4,-2.5 2,-0.2 5,-0.3 0.929 110.6 46.2 -75.9 -47.5 -36.6 -19.5 8.5 136 191 A L H X S+ 0 0 12 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.828 115.1 49.2 -61.3 -36.9 -37.0 -15.9 7.3 137 192 A R H < S+ 0 0 79 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.905 117.9 37.6 -69.0 -47.4 -35.6 -16.8 3.9 138 193 A S H < S+ 0 0 41 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.759 120.5 44.9 -78.5 -30.8 -37.8 -19.9 3.3 139 194 A i H < S+ 0 0 6 -4,-2.5 287,-2.5 -5,-0.1 -3,-0.2 0.851 118.4 31.6 -82.6 -40.8 -41.0 -18.5 4.9 140 195 A G S < S- 0 0 5 -4,-1.5 2,-0.4 -5,-0.3 287,-0.3 0.041 105.4 -54.8 -97.8-154.3 -41.1 -15.0 3.3 141 196 A T E +E 418 0C 0 277,-2.6 277,-3.2 285,-0.1 2,-0.3 -0.763 58.0 169.3 -92.8 134.0 -39.9 -13.5 -0.0 142 197 A H E -Ef 417 428C 39 285,-1.0 287,-2.4 -2,-0.4 275,-0.2 -0.983 23.7-150.1-144.7 154.6 -36.2 -13.9 -1.1 143 198 A A - 0 0 8 273,-1.4 273,-0.5 -2,-0.3 3,-0.1 -0.962 26.9-124.5-123.3 140.0 -33.9 -13.4 -4.1 144 199 A P S S- 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.863 89.6 -15.2 -51.4 -38.9 -30.8 -15.5 -5.0 145 200 A Y - 0 0 68 270,-0.1 287,-0.7 -3,-0.0 2,-0.3 -0.940 58.1-137.0-156.1 170.5 -28.7 -12.3 -5.0 146 201 A M E -Ij 414 432D 2 268,-1.3 268,-2.3 -2,-0.3 287,-0.2 -0.994 23.6-125.6-138.7 129.2 -28.8 -8.4 -5.2 147 202 A R E - j 0 433D 19 285,-2.1 287,-2.1 -2,-0.3 266,-0.1 -0.635 25.2-153.2 -78.3 123.5 -26.6 -6.2 -7.3 148 203 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.147 21.5 -97.5 -83.7-176.2 -24.7 -3.4 -5.5 149 204 A V - 0 0 10 154,-0.3 4,-0.3 2,-0.2 8,-0.1 -0.816 49.4 -76.1-105.9 147.0 -23.5 0.0 -6.8 150 205 A Y S S+ 0 0 3 222,-0.3 2,-0.1 -2,-0.3 256,-0.1 -0.678 117.0 44.2 -83.2 132.2 -19.9 0.9 -8.1 151 206 A P S S- 0 0 1 0, 0.0 2,-2.8 0, 0.0 -2,-0.2 0.490 88.0-143.4 -74.6 138.6 -17.6 1.4 -6.2 152 207 A T + 0 0 0 253,-0.9 2,-0.2 252,-0.4 253,-0.2 -0.321 58.1 125.1 -71.7 60.7 -18.6 -1.7 -4.1 153 208 A K S > S- 0 0 38 -2,-2.8 4,-1.3 -4,-0.3 5,-0.2 -0.727 71.8-105.5-117.1 163.9 -17.7 0.1 -0.8 154 209 A T H > S+ 0 0 23 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.919 108.9 45.5 -56.0 -62.6 -19.6 0.8 2.5 155 210 A F H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.865 114.7 43.8 -57.9 -47.1 -20.3 4.6 2.2 156 211 A P H > S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.843 118.1 47.1 -70.0 -29.5 -21.6 4.9 -1.4 157 212 A N H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.874 110.5 46.8 -77.0 -45.8 -23.8 1.7 -1.1 158 213 A L H X S+ 0 0 57 -4,-2.3 4,-1.2 1,-0.2 -3,-0.1 0.906 114.0 49.1 -65.2 -41.6 -25.5 2.4 2.3 159 214 A Y H X S+ 0 0 18 -4,-1.4 4,-1.1 -5,-0.2 6,-0.2 0.733 106.4 57.9 -69.7 -22.6 -26.4 6.0 1.2 160 215 A T H X S+ 0 0 0 -4,-0.6 4,-3.0 2,-0.2 3,-0.3 0.906 103.8 52.1 -70.5 -43.0 -27.7 4.6 -2.1 161 216 A L H < S+ 0 0 15 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.827 112.1 46.5 -61.1 -35.8 -30.2 2.3 -0.2 162 217 A A H < S+ 0 0 13 -4,-1.2 42,-1.1 1,-0.1 -1,-0.2 0.703 126.3 26.1 -79.9 -26.0 -31.5 5.4 1.8 163 218 A T H < S- 0 0 2 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.2 0.759 88.0-133.9-107.8 -38.5 -31.9 7.8 -1.3 164 219 A G < + 0 0 0 -4,-3.0 289,-2.1 1,-0.3 2,-0.2 0.637 66.9 113.9 85.6 20.1 -32.5 5.6 -4.4 165 220 A L S S- 0 0 21 -5,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.746 72.1 -99.0-118.2 164.5 -29.9 7.5 -6.5 166 221 A Y >> - 0 0 24 -2,-0.2 4,-2.2 -3,-0.1 3,-1.7 -0.445 39.4-110.7 -75.4 154.3 -26.5 6.8 -8.1 167 222 A P H 3> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 7,-0.1 0.831 118.8 61.3 -58.5 -30.7 -23.3 8.0 -6.2 168 223 A E H 34 S+ 0 0 23 205,-0.5 211,-0.1 1,-0.2 5,-0.1 0.695 112.4 38.6 -65.2 -22.4 -22.7 10.7 -8.9 169 224 A S H <4 S+ 0 0 71 -3,-1.7 32,-0.2 3,-0.1 -1,-0.2 0.847 117.1 45.4 -95.1 -46.9 -26.1 12.2 -8.0 170 225 A H H < S- 0 0 0 -4,-2.2 30,-1.8 2,-0.1 -2,-0.2 0.667 104.8-126.1 -74.3 -15.9 -26.2 11.8 -4.2 171 226 A G S < S+ 0 0 6 -4,-1.7 2,-1.5 -5,-0.3 28,-0.1 -0.097 77.8 111.6 100.2 -33.9 -22.6 13.1 -3.9 172 227 A I + 0 0 0 1,-0.2 -1,-0.1 -17,-0.1 -2,-0.1 -0.620 32.4 162.6 -78.9 87.7 -21.0 10.3 -1.9 173 228 A V - 0 0 0 -2,-1.5 2,-0.2 1,-0.2 -1,-0.2 0.352 62.8 -20.7 -87.9 1.9 -18.7 8.9 -4.7 174 229 A G - 0 0 4 -7,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.897 67.0 -90.6 166.6 166.4 -16.4 7.0 -2.2 175 230 A N S S+ 0 0 28 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.815 119.8 36.1 -63.4 -34.2 -15.1 6.5 1.4 176 231 A S S S+ 0 0 45 11,-0.1 2,-0.3 -3,-0.1 11,-0.2 -0.995 80.8 153.6-125.2 121.2 -12.3 8.9 0.5 177 232 A M E -K 186 0E 5 9,-2.0 9,-2.8 -2,-0.4 2,-0.4 -0.987 30.5-143.8-149.1 156.3 -12.9 12.0 -1.7 178 233 A Y E -K 185 0E 57 201,-0.5 7,-0.2 -2,-0.3 -2,-0.0 -0.990 8.2-155.8-126.2 131.8 -11.8 15.5 -2.6 179 234 A D E >> -K 184 0E 0 5,-2.0 4,-1.5 -2,-0.4 5,-0.9 -0.910 3.3-161.3-106.3 122.1 -13.9 18.6 -3.6 180 235 A P T 45S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 199,-0.0 0.816 89.8 52.9 -72.7 -29.4 -12.2 21.4 -5.6 181 236 A V T 45S+ 0 0 100 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.932 117.9 34.2 -70.3 -49.3 -14.9 24.0 -4.9 182 237 A F T 45S- 0 0 59 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.768 98.2-140.7 -74.1 -28.4 -14.8 23.6 -1.0 183 238 A D T <5 + 0 0 122 -4,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.854 62.9 115.2 63.2 41.9 -11.0 22.9 -1.2 184 239 A A E < -K 179 0E 15 -5,-0.9 -5,-2.0 8,-0.0 2,-0.4 -0.916 60.7-128.4-135.3 157.8 -11.5 20.2 1.6 185 240 A S E -K 178 0E 37 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.952 10.9-143.2-118.9 131.2 -11.1 16.4 1.8 186 241 A F E +K 177 0E 1 -9,-2.8 -9,-2.0 -2,-0.4 2,-0.3 -0.788 29.4 172.0 -91.3 126.8 -13.7 13.8 3.1 187 242 A H - 0 0 87 -2,-0.4 6,-0.3 -11,-0.2 -11,-0.1 -0.903 45.2-119.0-134.9 162.0 -12.2 10.8 5.0 188 243 A L S S+ 0 0 87 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.840 108.4 47.1 -66.4 -37.6 -13.3 7.8 7.1 189 244 A R S S+ 0 0 219 -3,-0.0 2,-0.2 4,-0.0 -1,-0.2 -0.949 97.4 60.8-113.4 111.2 -11.4 9.1 10.1 190 245 A G S S- 0 0 40 -2,-0.6 3,-0.2 -3,-0.1 4,-0.1 -0.833 82.0 -97.1 155.6 171.3 -12.0 12.9 10.9 191 246 A R S > S+ 0 0 156 -2,-0.2 3,-0.7 1,-0.2 4,-0.2 0.461 102.1 82.1 -94.9 -3.0 -14.6 15.6 11.7 192 247 A E G > S+ 0 0 58 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.861 82.1 63.4 -67.6 -38.8 -15.0 16.7 8.0 193 248 A K G 3 S+ 0 0 42 -6,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.684 90.4 68.9 -59.0 -22.9 -17.5 13.9 7.3 194 249 A F G < S+ 0 0 48 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.2 0.578 77.4 103.5 -74.0 -14.5 -19.9 15.4 10.0 195 250 A N X - 0 0 75 -3,-1.7 3,-0.6 -4,-0.2 4,-0.4 -0.449 69.2-141.4 -71.7 142.9 -20.6 18.5 7.7 196 251 A H T 3 S+ 0 0 159 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.517 88.2 82.0 -82.9 -7.5 -24.0 18.5 5.8 197 252 A R T 3 S+ 0 0 103 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.766 89.5 50.6 -68.4 -29.6 -22.4 20.0 2.6 198 253 A W S < S+ 0 0 2 -3,-0.6 2,-0.4 -5,-0.1 -1,-0.2 0.824 95.4 79.5 -76.6 -37.5 -21.2 16.6 1.3 199 254 A W + 0 0 56 -4,-0.4 2,-0.2 -28,-0.1 -28,-0.2 -0.660 63.3 175.9 -82.0 121.9 -24.6 14.8 1.7 200 255 A G + 0 0 27 -30,-1.8 -30,-0.1 -2,-0.4 -28,-0.1 -0.508 32.4 32.5-116.1-176.1 -27.1 15.4 -1.1 201 256 A G S S- 0 0 61 -32,-0.2 251,-0.1 -2,-0.2 -38,-0.0 -0.248 93.8 -60.5 67.4-153.7 -30.6 14.4 -2.3 202 257 A Q - 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