==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-FEB-13 3W5W . COMPND 2 MOLECULE: PUTATIVE EXOPOLYPHOSPHATASE-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR Y.UEMURA,N.NAKAGAWA,T.WAKAMATSU,G.T.MONTELIONE,J.F.HUNT,R.MA . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 25 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 0 3 0 0 1 0 2 0 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 2 A L 0 0 137 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.4 -37.4 47.3 35.1 2 3 A T - 0 0 85 1,-0.1 2,-0.9 2,-0.0 0, 0.0 -0.353 360.0-111.9 -67.7 147.4 -39.7 45.9 32.4 3 4 A K + 0 0 141 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 -0.716 49.8 155.5 -84.4 107.2 -43.1 44.4 33.4 4 5 A V + 0 0 29 -2,-0.9 2,-0.3 2,-0.1 -1,-0.2 0.829 55.0 70.6 -96.6 -42.2 -42.8 40.6 32.7 5 6 A I S S- 0 0 3 1,-0.1 2,-0.2 131,-0.1 131,-0.1 -0.592 97.1-101.4 -81.3 135.9 -45.4 39.4 35.2 6 7 A A > - 0 0 43 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.370 22.3-141.1 -58.3 116.8 -49.1 40.1 34.4 7 8 A Q H > S+ 0 0 72 -2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.809 103.0 58.1 -49.5 -32.4 -50.2 43.0 36.6 8 9 A A H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.983 104.5 47.7 -61.9 -59.1 -53.5 41.1 37.0 9 10 A H H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.911 111.5 53.0 -47.9 -47.0 -51.8 38.1 38.5 10 11 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.928 110.2 46.3 -56.2 -47.6 -49.9 40.4 40.8 11 12 A D H X S+ 0 0 93 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.901 112.9 50.2 -62.5 -41.2 -53.1 42.1 42.0 12 13 A H H X S+ 0 0 60 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.914 112.2 46.0 -65.1 -44.4 -54.8 38.7 42.5 13 14 A F H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.876 107.0 58.8 -66.7 -36.1 -51.9 37.3 44.5 14 15 A T H X S+ 0 0 29 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.875 104.6 52.5 -60.0 -34.3 -51.7 40.5 46.6 15 16 A K H X S+ 0 0 145 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.951 111.5 43.3 -65.5 -50.4 -55.3 39.8 47.6 16 17 A W H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.867 112.0 60.1 -58.6 -39.9 -54.6 36.2 48.7 17 18 A F H < S+ 0 0 5 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.932 106.5 39.9 -55.3 -58.1 -51.5 37.7 50.4 18 19 A E H < S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 118.7 48.7 -65.9 -31.6 -53.1 40.1 52.8 19 20 A R H < S+ 0 0 162 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.823 95.2 93.4 -76.2 -33.6 -55.9 37.7 53.6 20 21 A A < + 0 0 0 -4,-2.3 3,-0.1 -5,-0.2 71,-0.0 -0.267 41.4 173.7 -66.3 146.5 -53.6 34.8 54.2 21 22 A D S S+ 0 0 108 1,-0.3 31,-2.3 30,-0.1 2,-0.5 0.640 73.3 38.0-117.5 -42.2 -52.2 33.9 57.7 22 23 A K E -a 52 0A 86 29,-0.2 70,-3.3 68,-0.2 71,-1.3 -0.971 68.5-177.9-121.2 119.7 -50.4 30.6 57.1 23 24 A I E -ab 53 93A 1 29,-3.2 31,-1.4 -2,-0.5 2,-0.4 -0.938 10.2-160.6-119.8 139.0 -48.4 30.1 53.9 24 25 A V E -ab 54 94A 3 69,-2.3 71,-2.3 -2,-0.4 2,-0.5 -0.964 6.1-156.5-118.7 133.8 -46.5 27.1 52.8 25 26 A I E -ab 55 95A 0 29,-2.6 31,-3.1 -2,-0.4 2,-0.3 -0.952 14.8-175.4-112.3 126.6 -43.8 27.2 50.1 26 27 A V E -ab 56 96A 1 69,-3.0 71,-2.5 -2,-0.5 2,-0.3 -0.880 5.8-178.3-123.1 153.1 -42.9 24.1 48.1 27 28 A S E - b 0 97A 0 29,-0.8 71,-0.1 -2,-0.3 3,-0.1 -0.883 35.3 -69.1-140.7 174.0 -40.3 23.2 45.5 28 29 A H - 0 0 10 69,-0.5 31,-0.3 -2,-0.3 77,-0.2 -0.186 55.4 -85.5 -71.9 155.5 -39.3 20.2 43.3 29 30 A V S S+ 0 0 31 75,-2.6 -1,-0.1 1,-0.2 3,-0.1 -0.196 115.5 24.9 -52.5 145.2 -37.7 16.9 44.3 30 31 A S S S- 0 0 76 1,-0.1 -1,-0.2 30,-0.1 31,-0.1 0.997 95.2-141.1 57.5 65.1 -33.9 17.2 44.5 31 32 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.338 20.2-164.8 -60.3 136.7 -33.9 20.9 45.2 32 33 A D > - 0 0 44 29,-0.1 4,-2.3 -3,-0.1 5,-0.4 -0.580 42.6 -74.6-112.7 178.1 -31.2 22.8 43.4 33 34 A G H > S+ 0 0 1 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.817 132.3 46.2 -42.3 -44.7 -29.8 26.3 43.9 34 35 A D H > S+ 0 0 0 138,-0.2 4,-2.7 2,-0.2 5,-0.4 0.924 112.0 52.3 -69.3 -41.4 -32.8 28.0 42.2 35 36 A A H > S+ 0 0 0 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.963 117.8 34.9 -58.0 -56.5 -35.2 25.8 44.2 36 37 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.885 120.4 49.9 -66.3 -41.1 -33.8 26.6 47.6 37 38 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.4 -2,-0.2 0.938 111.4 45.2 -65.3 -49.6 -32.8 30.2 46.8 38 39 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.845 117.6 46.5 -63.7 -34.8 -36.2 31.3 45.3 39 40 A S H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -2,-0.2 0.887 113.0 46.5 -75.6 -40.7 -38.0 29.6 48.2 40 41 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.808 112.6 53.5 -70.2 -28.9 -35.8 31.0 51.0 41 42 A G H X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.934 112.7 40.8 -70.2 -47.2 -36.0 34.4 49.4 42 43 A L H X S+ 0 0 1 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.890 113.4 56.7 -66.8 -40.8 -39.8 34.4 49.3 43 44 A Y H X S+ 0 0 38 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.953 107.3 47.3 -54.5 -53.6 -39.9 32.9 52.8 44 45 A H H X S+ 0 0 21 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.890 114.8 47.1 -58.3 -40.5 -37.8 35.8 54.2 45 46 A F H >X S+ 0 0 6 -4,-1.9 4,-1.0 2,-0.2 3,-0.8 0.994 114.8 44.2 -63.7 -60.4 -40.0 38.3 52.5 46 47 A L H >< S+ 0 0 0 -4,-3.4 3,-0.6 1,-0.3 5,-0.4 0.849 111.6 56.2 -51.1 -38.1 -43.3 36.7 53.6 47 48 A D H >X S+ 0 0 75 -4,-3.0 3,-0.8 -5,-0.3 4,-0.5 0.859 101.8 53.3 -66.8 -36.1 -41.8 36.2 57.1 48 49 A S H << S+ 0 0 61 -4,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.692 98.1 70.8 -71.3 -16.4 -41.0 39.9 57.6 49 50 A Q T << S- 0 0 38 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.1 -0.053 121.3 -99.5 -91.7 34.1 -44.7 40.6 56.7 50 51 A D T <4 S+ 0 0 151 -3,-0.8 2,-0.3 1,-0.2 -3,-0.1 0.929 80.8 131.2 52.0 54.1 -46.0 39.1 59.9 51 52 A K < - 0 0 32 -4,-0.5 2,-0.6 -5,-0.4 -1,-0.2 -0.971 63.1-113.7-138.6 152.4 -46.9 35.8 58.5 52 53 A I E +a 22 0A 91 -31,-2.3 -29,-3.2 -2,-0.3 2,-0.4 -0.748 43.9 178.4 -83.6 120.6 -46.5 32.1 59.3 53 54 A V E +a 23 0A 9 -2,-0.6 2,-0.4 -31,-0.2 -29,-0.2 -0.979 15.4 179.3-131.5 140.4 -44.3 30.5 56.6 54 55 A N E -a 24 0A 46 -31,-1.4 -29,-2.6 -2,-0.4 2,-0.6 -0.973 17.3-148.8-143.1 123.5 -42.9 27.1 56.1 55 56 A V E -a 25 0A 5 -2,-0.4 20,-2.4 18,-0.3 2,-0.5 -0.817 20.2-177.2 -92.6 119.5 -40.7 25.8 53.2 56 57 A I E +ac 26 75A 0 -31,-3.1 -29,-0.8 -2,-0.6 20,-0.2 -0.953 4.3 177.9-123.4 115.2 -41.3 22.2 52.4 57 58 A V E - c 0 76A 0 18,-1.5 20,-2.7 -2,-0.5 21,-0.3 -0.792 34.1-127.4-109.6 156.1 -39.3 20.3 49.8 58 59 A P S S+ 0 0 6 0, 0.0 20,-0.7 0, 0.0 2,-0.2 0.858 85.6 23.9 -69.7 -30.2 -39.7 16.6 48.9 59 60 A N S S- 0 0 47 -31,-0.3 2,-0.2 18,-0.1 -2,-0.1 -0.618 86.8 -80.6-130.0-176.9 -36.0 15.9 49.3 60 61 A A - 0 0 30 -2,-0.2 -30,-0.1 16,-0.1 -1,-0.1 -0.500 43.5-139.8 -81.3 152.9 -32.7 16.8 50.8 61 62 A F - 0 0 18 -2,-0.2 -29,-0.1 1,-0.1 4,-0.1 -0.843 30.8 -77.4-117.0 155.2 -30.6 19.5 49.1 62 63 A P > - 0 0 34 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.024 34.3-126.4 -44.1 152.1 -26.9 19.8 48.3 63 64 A D G > S+ 0 0 121 1,-0.2 3,-2.6 2,-0.2 4,-0.4 0.795 106.2 72.1 -73.7 -28.3 -24.6 20.7 51.2 64 65 A F G 3 S+ 0 0 53 1,-0.3 -1,-0.2 2,-0.1 147,-0.0 0.487 98.4 52.3 -67.9 5.2 -23.1 23.6 49.2 65 66 A L G X S+ 0 0 0 -3,-0.9 3,-0.8 -4,-0.1 -1,-0.3 0.290 81.6 90.8-119.2 4.7 -26.5 25.2 49.9 66 67 A K T < S+ 0 0 97 -3,-2.6 6,-0.2 1,-0.2 5,-0.2 0.738 73.6 69.1 -74.6 -24.4 -26.5 24.7 53.7 67 68 A W T 3 S+ 0 0 59 -4,-0.4 -1,-0.2 142,-0.2 -2,-0.1 0.669 76.7 111.5 -67.3 -18.1 -24.9 28.1 54.3 68 69 A M S X S- 0 0 5 -3,-0.8 3,-1.7 1,-0.1 4,-0.4 -0.286 82.5-100.8 -63.0 139.3 -28.0 29.9 53.1 69 70 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 -0.450 106.9 11.1 -62.5 116.5 -30.1 31.8 55.7 70 71 A G T > S+ 0 0 20 -2,-0.4 3,-1.7 -4,-0.1 4,-0.3 0.226 85.8 117.5 102.1 -14.8 -33.1 29.6 56.7 71 72 A S G X S+ 0 0 6 -3,-1.7 3,-2.2 1,-0.3 -4,-0.1 0.876 71.3 64.8 -53.8 -38.6 -32.0 26.3 55.1 72 73 A K G 3 S+ 0 0 192 -4,-0.4 -1,-0.3 1,-0.3 -6,-0.0 0.792 102.7 48.3 -54.6 -30.7 -31.9 24.7 58.6 73 74 A D G < S+ 0 0 112 -3,-1.7 2,-0.6 2,-0.1 -18,-0.3 0.362 79.3 117.4 -94.4 4.5 -35.7 25.3 58.8 74 75 A I < - 0 0 13 -3,-2.2 2,-0.5 -4,-0.3 -18,-0.2 -0.642 65.1-135.1 -74.8 118.9 -36.5 23.8 55.4 75 76 A L E -c 56 0A 22 -20,-2.4 -18,-1.5 -2,-0.6 2,-0.8 -0.673 8.5-144.0 -81.3 118.4 -38.7 20.8 56.2 76 77 A L E >> -c 57 0A 24 -2,-0.5 3,-1.9 -20,-0.2 4,-0.8 -0.753 4.5-151.3 -86.3 107.6 -37.8 17.6 54.2 77 78 A Y H 3> S+ 0 0 10 -20,-2.7 4,-0.7 -2,-0.8 -1,-0.1 0.692 89.7 67.5 -50.1 -26.5 -41.0 15.8 53.4 78 79 A D H 34 S+ 0 0 75 -20,-0.7 -1,-0.3 -21,-0.3 -19,-0.1 0.301 112.9 29.5 -82.1 13.1 -39.3 12.4 53.4 79 80 A R H <4 S+ 0 0 148 -3,-1.9 -1,-0.2 -20,-0.0 -2,-0.2 0.403 130.8 31.4-145.6 -7.5 -38.6 12.6 57.1 80 81 A Y H >X + 0 0 134 -4,-0.8 4,-2.8 -3,-0.1 3,-0.5 0.022 67.1 141.8-144.2 28.0 -41.5 14.6 58.5 81 82 A Q H 3X S+ 0 0 95 -4,-0.7 4,-3.9 1,-0.2 5,-0.2 0.840 74.0 53.7 -36.5 -52.4 -44.3 13.8 56.2 82 83 A E H 3> S+ 0 0 134 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.925 112.8 41.2 -51.1 -55.4 -46.8 13.8 59.1 83 84 A F H <> S+ 0 0 114 -3,-0.5 4,-2.1 1,-0.2 3,-0.4 0.959 117.8 48.8 -59.5 -53.1 -45.8 17.3 60.3 84 85 A A H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.895 104.9 56.8 -55.1 -48.6 -45.7 18.6 56.7 85 86 A D H X S+ 0 0 25 -4,-3.9 4,-2.8 -5,-0.3 -1,-0.2 0.891 108.6 49.5 -53.2 -39.4 -49.0 17.1 55.7 86 87 A K H X S+ 0 0 129 -4,-1.5 4,-1.6 -3,-0.4 -1,-0.2 0.950 112.2 45.9 -64.0 -50.8 -50.5 19.1 58.6 87 88 A L H X S+ 0 0 33 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.907 116.2 46.7 -56.6 -46.2 -48.8 22.3 57.5 88 89 A I H >< S+ 0 0 1 -4,-3.4 3,-0.9 1,-0.2 29,-0.3 0.943 112.2 48.1 -63.0 -51.0 -49.8 21.8 53.9 89 90 A M H 3< S+ 0 0 69 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.729 116.2 45.7 -63.9 -23.3 -53.4 20.9 54.7 90 91 A E H 3< S+ 0 0 112 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.538 86.0 114.9 -98.7 -7.8 -53.8 23.9 56.9 91 92 A A << - 0 0 5 -3,-0.9 -68,-0.2 -4,-0.8 3,-0.1 -0.310 52.6-155.9 -66.6 143.3 -52.1 26.5 54.7 92 93 A D S S+ 0 0 47 -70,-3.3 26,-2.2 1,-0.3 2,-0.4 0.878 86.0 24.1 -82.0 -43.1 -54.2 29.4 53.3 93 94 A V E -bd 23 118A 0 -71,-1.3 -69,-2.3 24,-0.2 2,-0.5 -0.952 66.1-163.2-125.4 143.2 -51.8 29.8 50.4 94 95 A I E -bd 24 119A 0 24,-2.3 26,-2.2 -2,-0.4 2,-0.5 -0.958 9.0-159.0-128.3 109.5 -49.4 27.3 48.8 95 96 A C E -bd 25 120A 0 -71,-2.3 -69,-3.0 -2,-0.5 2,-0.8 -0.793 1.1-159.8 -91.9 125.6 -46.7 28.7 46.6 96 97 A C E -bd 26 121A 0 24,-3.3 26,-2.0 -2,-0.5 2,-0.4 -0.880 17.4-170.6-105.9 101.1 -45.2 26.2 44.1 97 98 A L E +bd 27 122A 0 -71,-2.5 -69,-0.5 -2,-0.8 26,-0.2 -0.789 56.8 0.3-101.0 134.8 -41.8 27.6 43.1 98 99 A D S S+ 0 0 2 24,-2.6 2,-0.3 -2,-0.4 -1,-0.2 0.759 111.2 72.8 70.4 29.2 -39.6 26.3 40.3 99 100 A F - 0 0 3 -3,-0.4 -1,-0.1 23,-0.3 23,-0.1 -0.947 50.7-166.4-162.5 150.7 -41.7 23.4 39.0 100 101 A N + 0 0 14 -2,-0.3 29,-2.4 1,-0.1 2,-0.4 0.233 68.7 64.8-131.0 17.4 -44.9 23.3 36.9 101 102 A A S > S- 0 0 8 27,-0.2 3,-3.0 1,-0.1 4,-0.4 -0.985 72.4-134.3-142.3 127.8 -46.1 19.7 37.2 102 103 A L G > S+ 0 0 42 -2,-0.4 3,-1.3 1,-0.3 7,-0.2 0.797 105.3 68.0 -50.3 -29.8 -47.3 17.9 40.4 103 104 A K G > S+ 0 0 173 1,-0.3 3,-1.3 2,-0.1 -1,-0.3 0.770 88.3 69.4 -62.8 -22.1 -45.2 14.9 39.4 104 105 A R G < S+ 0 0 93 -3,-3.0 -75,-2.6 1,-0.3 -1,-0.3 0.767 94.9 50.1 -67.4 -29.6 -42.2 17.2 40.1 105 106 A I G X S- 0 0 0 -3,-1.3 3,-2.5 -4,-0.4 4,-0.3 0.028 95.5-161.8 -98.3 28.0 -42.7 17.3 43.8 106 107 A D T < + 0 0 89 -3,-1.3 -3,-0.1 1,-0.3 -2,-0.1 0.338 69.4 13.9 -13.6 112.1 -43.0 13.4 43.7 107 108 A E T 3 S+ 0 0 117 -78,-0.0 4,-0.4 -29,-0.0 -1,-0.3 -0.298 119.3 68.2 105.9 -43.6 -44.7 12.0 46.9 108 109 A M S <> S+ 0 0 0 -3,-2.5 4,-2.6 1,-0.2 5,-0.3 0.637 75.5 92.5 -79.5 -14.8 -45.9 15.4 47.9 109 110 A S H > S+ 0 0 31 -4,-0.3 4,-3.2 -7,-0.2 5,-0.3 0.909 82.9 48.1 -41.1 -64.0 -48.3 15.4 45.0 110 111 A D H > S+ 0 0 121 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.896 115.3 40.5 -47.4 -59.3 -51.3 13.9 46.8 111 112 A I H > S+ 0 0 26 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.895 117.0 49.4 -63.9 -40.0 -51.3 16.1 49.9 112 113 A V H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.933 114.5 45.4 -64.2 -44.2 -50.5 19.3 47.9 113 114 A A H < S+ 0 0 53 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.862 113.2 51.6 -65.4 -36.0 -53.3 18.5 45.4 114 115 A A H < S+ 0 0 65 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.833 85.0 106.4 -70.3 -35.1 -55.6 17.6 48.3 115 116 A S < - 0 0 3 -4,-2.2 -26,-0.1 1,-0.2 4,-0.1 -0.195 61.7-149.6 -54.2 128.4 -55.1 20.9 50.2 116 117 A P + 0 0 107 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.464 65.8 112.6 -76.6 -1.5 -58.0 23.4 50.1 117 118 A G S S- 0 0 6 -29,-0.3 2,-0.3 -5,-0.1 -24,-0.2 -0.484 80.9-103.9 -70.6 144.0 -55.5 26.2 50.4 118 119 A R E -d 93 0A 70 -26,-2.2 -24,-2.3 -2,-0.1 2,-0.3 -0.534 38.4-144.4 -74.8 134.4 -55.2 28.3 47.3 119 120 A K E -d 94 0A 30 -2,-0.3 15,-1.2 -26,-0.2 14,-0.7 -0.709 16.4-172.3-103.2 149.6 -52.2 27.6 45.1 120 121 A I E -de 95 134A 0 -26,-2.2 -24,-3.3 -2,-0.3 2,-0.5 -0.995 12.6-148.8-136.1 138.2 -49.9 29.9 43.0 121 122 A M E -de 96 135A 1 13,-1.9 15,-2.7 -2,-0.4 2,-0.6 -0.940 12.2-177.0-116.4 122.3 -47.2 28.7 40.7 122 123 A I E +de 97 136A 1 -26,-2.0 -24,-2.6 -2,-0.5 2,-0.3 -0.946 32.7 135.5-116.2 109.2 -44.1 30.8 40.0 123 124 A D E - e 0 137A 0 13,-2.3 15,-2.2 -2,-0.6 18,-0.1 -0.925 47.7-156.1-148.4 170.7 -41.9 29.0 37.4 124 125 A H + 0 0 20 -2,-0.3 2,-0.2 13,-0.2 13,-0.1 0.095 58.8 111.3-138.4 21.4 -39.8 29.3 34.3 125 126 A H S S- 0 0 37 1,-0.1 2,-0.1 15,-0.0 15,-0.1 -0.632 72.0 -98.5 -94.8 157.1 -39.9 25.8 32.8 126 127 A L S S+ 0 0 98 -2,-0.2 -26,-0.1 1,-0.2 -1,-0.1 -0.429 92.6 22.8 -77.6 153.5 -41.8 25.0 29.6 127 128 A Y S S- 0 0 198 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.979 75.0-157.9 60.5 70.6 -45.3 23.5 29.4 128 129 A P - 0 0 53 0, 0.0 -27,-0.2 0, 0.0 -1,-0.1 -0.604 7.7-136.0 -82.7 133.2 -47.0 24.3 32.7 129 130 A E - 0 0 113 -29,-2.4 3,-0.2 -2,-0.3 -28,-0.0 -0.135 19.6-120.9 -71.2 175.7 -49.9 22.3 34.0 130 131 A D + 0 0 137 1,-0.1 -29,-0.1 5,-0.0 -1,-0.1 -0.318 69.2 119.8-121.9 55.0 -52.9 24.1 35.5 131 132 A F + 0 0 47 -31,-0.2 2,-0.4 3,-0.0 -12,-0.2 0.625 61.8 78.8 -88.7 -12.8 -53.3 22.9 39.1 132 133 A C S S- 0 0 10 -3,-0.2 -12,-0.2 1,-0.1 -14,-0.1 -0.790 74.7-139.9-100.2 138.5 -52.8 26.4 40.5 133 134 A R S S+ 0 0 148 -14,-0.7 2,-0.4 -2,-0.4 -13,-0.2 0.734 96.9 39.2 -65.7 -23.0 -55.5 29.0 40.6 134 135 A I E S-e 120 0A 5 -15,-1.2 -13,-1.9 2,-0.0 2,-0.5 -0.997 76.1-164.6-127.9 133.4 -52.9 31.6 39.8 135 136 A T E +e 121 0A 39 -2,-0.4 2,-0.8 -15,-0.2 -13,-0.1 -0.897 17.3 177.0-131.1 112.7 -50.1 31.0 37.3 136 137 A I E +e 122 0A 0 -15,-2.7 -13,-2.3 -2,-0.5 2,-0.5 -0.871 23.3 161.5-106.0 94.4 -47.0 33.0 36.8 137 138 A S E +e 123 0A 28 -2,-0.8 -13,-0.2 -15,-0.2 3,-0.1 -0.956 7.1 162.1-122.0 113.8 -45.1 31.0 34.1 138 139 A H > + 0 0 27 -15,-2.2 3,-2.1 -2,-0.5 -12,-0.1 -0.734 13.3 176.5-135.8 87.5 -42.4 32.7 32.1 139 140 A P T 3 S+ 0 0 53 0, 0.0 -13,-0.1 0, 0.0 -1,-0.1 0.666 79.7 73.4 -60.4 -17.1 -39.9 30.3 30.3 140 141 A E T 3 S+ 0 0 122 -15,-0.1 2,-0.4 -3,-0.1 -16,-0.1 0.548 84.2 81.5 -76.7 -6.4 -38.3 33.5 28.9 141 142 A I S < S- 0 0 7 -3,-2.1 -3,-0.1 -18,-0.1 43,-0.1 -0.865 78.6-134.4-105.9 137.6 -36.8 34.2 32.3 142 143 A S S S+ 0 0 6 -2,-0.4 2,-0.3 41,-0.1 3,-0.1 0.572 78.3 13.1 -63.4 -18.0 -33.5 32.5 33.5 143 144 A S > - 0 0 0 1,-0.1 4,-1.1 -20,-0.1 30,-0.1 -0.995 56.7-129.5-157.8 159.4 -34.6 31.5 37.0 144 145 A T H > S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.2 5,-0.3 0.896 111.4 62.8 -75.0 -39.0 -37.5 31.2 39.4 145 146 A S H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.863 99.8 54.4 -49.5 -43.0 -35.4 33.3 41.9 146 147 A E H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.920 109.6 42.7 -64.1 -46.8 -35.5 36.2 39.4 147 148 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.597 107.4 60.3 -80.7 -3.6 -39.3 36.4 39.0 148 149 A V H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.773 108.2 47.5 -82.4 -28.8 -39.8 35.9 42.8 149 150 A F H X S+ 0 0 5 -4,-1.2 4,-1.9 -5,-0.3 -2,-0.2 0.855 112.2 48.5 -76.3 -35.6 -37.7 39.1 43.0 150 151 A R H X S+ 0 0 15 -4,-1.6 4,-3.5 2,-0.2 5,-0.2 0.936 110.3 51.2 -69.1 -45.5 -39.8 40.8 40.3 151 152 A L H X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.878 111.4 47.4 -59.0 -41.4 -43.1 39.7 42.0 152 153 A I H <>S+ 0 0 1 -4,-1.6 5,-2.2 2,-0.2 -1,-0.2 0.894 115.4 45.8 -69.1 -38.7 -41.9 41.2 45.3 153 154 A C H ><5S+ 0 0 35 -4,-1.9 3,-2.5 1,-0.2 5,-0.3 0.942 109.0 53.6 -68.9 -45.6 -40.8 44.4 43.7 154 155 A R H 3<5S+ 0 0 56 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.2 57.1 -57.5 -29.9 -44.0 44.7 41.6 155 156 A M T 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.464 122.2-110.8 -79.0 -4.5 -45.8 44.4 44.9 156 157 A G T < 5S+ 0 0 58 -3,-2.5 3,-0.3 -4,-0.1 -3,-0.2 0.645 85.8 113.9 85.9 18.3 -43.9 47.4 46.2 157 158 A Y > < + 0 0 53 -5,-2.2 3,-1.3 1,-0.2 4,-0.3 0.118 23.6 121.9-109.8 24.6 -41.7 45.8 48.8 158 159 A F G > S+ 0 0 58 -5,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.888 80.3 53.3 -50.1 -40.6 -38.2 46.2 47.3 159 160 A S G 3 S+ 0 0 95 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.771 102.6 58.1 -65.3 -28.6 -37.2 48.1 50.5 160 161 A D G < S+ 0 0 71 -3,-1.3 2,-0.8 -8,-0.1 -1,-0.3 0.325 77.6 110.2 -85.1 6.0 -38.5 45.2 52.6 161 162 A I < - 0 0 10 -3,-1.4 -116,-0.0 -4,-0.3 -120,-0.0 -0.781 62.7-146.4 -86.6 113.2 -36.1 42.7 51.0 162 163 A S > - 0 0 50 -2,-0.8 4,-1.9 -121,-0.1 5,-0.1 -0.063 23.7-108.4 -70.5 173.8 -33.5 41.8 53.6 163 164 A K H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.882 123.1 51.9 -72.2 -36.7 -29.8 41.0 53.0 164 165 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 110.2 47.9 -64.1 -43.5 -30.6 37.4 53.8 165 166 A G H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 112.3 50.6 -63.0 -37.6 -33.4 37.4 51.3 166 167 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.874 105.2 55.9 -67.7 -39.2 -31.1 39.0 48.8 167 168 A E H X S+ 0 0 30 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.905 110.3 46.2 -60.3 -40.9 -28.4 36.4 49.3 168 169 A C H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.924 111.4 48.9 -68.2 -47.7 -30.9 33.6 48.5 169 170 A I H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.889 111.4 50.4 -60.8 -41.5 -32.4 35.2 45.4 170 171 A Y H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.932 108.3 53.0 -63.1 -44.7 -29.0 35.9 44.0 171 172 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.917 108.2 50.4 -55.6 -46.1 -27.9 32.3 44.6 172 173 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.897 113.0 46.1 -59.9 -41.0 -30.9 31.0 42.7 173 174 A M H < S+ 0 0 0 -4,-1.9 4,-0.4 2,-0.2 7,-0.3 0.901 113.6 48.2 -68.4 -42.5 -30.1 33.3 39.8 174 175 A M H ><>S+ 0 0 1 -4,-3.0 5,-2.0 1,-0.2 3,-1.4 0.961 111.6 50.9 -62.2 -51.4 -26.5 32.4 39.7 175 176 A T H ><5S+ 0 0 21 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.890 107.0 50.8 -52.5 -51.5 -27.2 28.6 39.9 176 177 A D T 3<5S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.490 116.1 42.7 -72.0 -1.0 -29.6 28.5 37.1 177 178 A T T <>>S- 0 0 0 -3,-1.4 4,-3.4 -4,-0.4 5,-1.1 0.256 110.7-116.7-123.4 7.0 -27.3 30.3 34.8 178 179 A G T <45S- 0 0 17 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.983 89.2 -33.2 52.9 61.3 -24.1 28.5 35.8 179 180 A G T 4> - 0 0 64 1,-0.1 3,-2.0 -3,-0.1 4,-0.6 -0.711 65.4-143.2 -86.9 118.8 -30.9 39.8 29.1 187 188 A R H >> S+ 0 0 213 -2,-0.6 3,-1.1 1,-0.3 4,-0.8 0.817 94.7 64.7 -42.5 -48.8 -29.8 43.3 30.4 188 189 A E H 3> S+ 0 0 22 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.751 88.3 69.7 -54.7 -25.8 -32.3 43.4 33.3 189 190 A I H <> S+ 0 0 2 -3,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.954 102.1 45.7 -56.5 -46.8 -30.6 40.4 34.9 190 191 A Y H <>S+ 0 0 0 -4,-2.7 3,-3.3 1,-0.2 5,-0.8 0.940 105.4 58.6 -64.6 -44.7 -29.1 42.9 45.2 197 198 A L H ><5S+ 0 0 74 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.839 99.0 59.9 -52.7 -32.9 -25.6 44.0 45.7 198 199 A S T 3<5S+ 0 0 85 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.413 92.6 66.1 -76.4 1.2 -27.1 47.2 47.2 199 200 A K T < 5S- 0 0 38 -3,-3.3 -1,-0.3 -36,-0.1 -2,-0.2 0.384 125.2-100.0 -97.5 -2.5 -28.8 45.0 49.9 200 201 A G T < 5S+ 0 0 41 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.547 70.8 147.2 99.8 10.8 -25.3 44.2 51.1 201 202 A I < - 0 0 11 -5,-0.8 2,-0.6 1,-0.1 -1,-0.2 -0.329 44.9-136.5 -79.1 161.7 -24.4 40.8 49.7 202 203 A D > - 0 0 86 1,-0.2 4,-2.2 -2,-0.0 3,-0.4 -0.895 17.8-173.3-115.3 93.7 -21.0 39.6 48.6 203 204 A K H > S+ 0 0 65 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.896 83.5 57.3 -58.1 -39.3 -21.5 37.9 45.3 204 205 A D H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 109.1 45.6 -59.5 -38.1 -18.0 36.7 45.1 205 206 A D H > S+ 0 0 64 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.926 109.1 53.5 -69.9 -46.0 -18.4 34.9 48.5 206 207 A I H X S+ 0 0 3 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.881 108.5 54.2 -54.7 -39.3 -21.7 33.4 47.6 207 208 A Y H >X>S+ 0 0 94 -4,-2.3 4,-2.6 -5,-0.2 3,-1.4 0.976 109.4 44.1 -59.9 -57.6 -19.9 32.1 44.5 208 209 A R H 3X5S+ 0 0 123 -4,-2.0 4,-1.1 1,-0.3 -2,-0.2 0.842 107.4 60.2 -58.1 -34.5 -17.1 30.4 46.5 209 210 A K H 3<5S+ 0 0 56 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.721 116.7 31.7 -68.4 -18.0 -19.6 28.9 49.0 210 211 A V H <<5S+ 0 0 9 -3,-1.4 3,-0.2 -4,-0.9 -2,-0.2 0.806 134.1 20.8-104.9 -42.1 -21.3 27.0 46.3 211 212 A Y H <5S+ 0 0 66 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.700 119.7 51.3-105.2 -23.9 -18.7 26.2 43.7 212 213 A N S < - 0 0 52 -2,-0.2 4,-1.6 1,-0.1 3,-0.2 0.167 35.6-119.0 -42.5 155.5 -13.0 17.7 49.4 216 217 A E H > S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.683 113.3 66.3 -72.3 -18.1 -9.8 16.8 47.5 217 218 A S H > S+ 0 0 31 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.915 101.5 45.6 -68.8 -43.0 -11.4 13.4 46.9 218 219 A R H > S+ 0 0 41 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.942 114.2 47.3 -65.4 -48.6 -14.1 14.9 44.7 219 220 A L H X S+ 0 0 87 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.852 117.0 44.2 -62.0 -34.3 -11.7 17.1 42.8 220 221 A R H X S+ 0 0 136 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.867 108.5 56.8 -77.0 -36.9 -9.4 14.1 42.4 221 222 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.900 108.9 49.3 -56.9 -39.9 -12.4 11.9 41.5 222 223 A M H X S+ 0 0 36 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.936 104.3 55.6 -65.0 -50.0 -13.0 14.4 38.8 223 224 A G H X S+ 0 0 32 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.819 109.8 50.5 -53.8 -30.2 -9.4 14.3 37.5 224 225 A Y H >X S+ 0 0 56 -4,-1.7 4,-1.7 2,-0.2 3,-0.8 0.985 108.4 47.4 -70.2 -60.6 -10.0 10.5 37.2 225 226 A V H 3X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.3 16,-0.2 0.837 111.2 54.9 -49.4 -38.5 -13.2 10.6 35.2 226 227 A L H 3< S+ 0 0 55 -4,-2.6 3,-0.4 1,-0.2 -1,-0.3 0.870 105.0 50.8 -66.4 -38.5 -11.6 13.2 32.9 227 228 A S H << S+ 0 0 96 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.846 116.3 42.1 -68.0 -33.9 -8.6 11.0 32.1 228 229 A N H < S+ 0 0 87 -4,-1.7 -1,-0.2 13,-0.1 -2,-0.2 0.481 85.8 121.1 -92.7 -5.0 -10.9 8.1 31.2 229 230 A M < - 0 0 52 -4,-0.8 2,-0.4 -3,-0.4 11,-0.2 -0.200 55.4-136.9 -59.4 151.3 -13.6 10.0 29.3 230 231 A K E -F 239 0B 112 9,-3.2 9,-3.1 2,-0.0 2,-0.5 -0.935 11.2-158.0-114.5 136.0 -14.2 9.0 25.7 231 232 A V E -F 238 0B 52 -2,-0.4 2,-1.6 7,-0.2 7,-0.2 -0.937 8.3-160.1-119.0 113.0 -14.7 11.5 22.9 232 233 A Y E >>> -F 237 0B 24 5,-0.8 3,-3.8 -2,-0.5 5,-0.9 -0.528 14.5-171.1 -88.7 69.6 -16.5 10.5 19.7 233 234 A K G >45S+ 0 0 147 -2,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.692 80.0 51.9 -28.9 -44.7 -15.1 13.3 17.6 234 235 A D G 345S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.622 111.1 46.3 -76.4 -13.8 -17.4 12.6 14.6 235 236 A Y G <45S- 0 0 48 -3,-3.8 -1,-0.2 2,-0.2 -2,-0.2 0.352 103.7-130.3-106.2 1.2 -20.5 12.7 16.7 236 237 A N T <<5S+ 0 0 34 -4,-0.7 35,-2.1 -3,-0.7 36,-1.5 0.710 72.2 112.1 55.4 22.6 -19.5 15.8 18.5 237 238 A S E < -Fg 232 272B 0 -5,-0.9 -5,-0.8 33,-0.2 2,-0.3 -0.550 49.6-158.5-116.2-179.8 -20.3 14.0 21.7 238 239 A A E -Fg 231 273B 0 34,-1.1 36,-3.2 -7,-0.2 2,-0.4 -0.984 3.7-151.4-160.1 150.5 -18.4 12.7 24.7 239 240 A L E +Fg 230 274B 9 -9,-3.1 -9,-3.2 -2,-0.3 2,-0.3 -0.991 9.9 179.8-134.2 132.8 -18.9 10.1 27.5 240 241 A I E - g 0 275B 2 34,-2.4 36,-2.1 -2,-0.4 2,-0.3 -0.923 15.9-170.6-124.3 152.0 -17.5 9.9 31.1 241 242 A S E - g 0 276B 35 -2,-0.3 2,-0.3 -16,-0.2 36,-0.2 -0.937 22.0-166.3-146.0 167.1 -18.3 7.1 33.6 242 243 A L E - g 0 277B 0 34,-1.9 36,-1.5 -2,-0.3 2,-0.1 -0.835 11.8-159.8-156.7 112.7 -18.1 5.8 37.2 243 244 A T > - 0 0 21 -2,-0.3 4,-3.3 34,-0.2 5,-0.2 -0.466 36.0-113.0 -87.2 162.5 -18.8 2.2 38.4 244 245 A K H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 8,-0.1 0.861 123.5 59.5 -61.1 -32.2 -19.6 1.3 42.0 245 246 A E H > S+ 0 0 135 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.923 110.7 38.3 -59.6 -46.8 -16.2 -0.4 41.8 246 247 A E H >> S+ 0 0 22 2,-0.2 4,-1.3 1,-0.2 3,-1.2 0.940 109.0 60.8 -71.2 -49.2 -14.6 3.0 40.9 247 248 A Q H 3<>S+ 0 0 12 -4,-3.3 5,-2.2 1,-0.3 4,-0.2 0.850 102.8 54.2 -45.8 -41.3 -16.7 5.1 43.3 248 249 A G H ><5S+ 0 0 47 -4,-1.8 3,-0.8 3,-0.2 -1,-0.3 0.836 99.7 61.4 -65.2 -34.1 -15.3 3.0 46.2 249 250 A K H <<5S+ 0 0 139 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.955 114.0 32.9 -57.2 -53.5 -11.7 3.7 45.2 250 251 A F T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -29,-0.0 -2,-0.2 0.306 116.0-112.9 -87.6 9.3 -12.1 7.5 45.6 251 252 A D T < 5 - 0 0 124 -3,-0.8 2,-0.5 -5,-0.2 -3,-0.2 0.991 37.8-146.1 55.1 69.7 -14.6 7.1 48.5 252 253 A Y < - 0 0 45 -5,-2.2 2,-0.3 -8,-0.1 -1,-0.2 -0.558 16.6-169.4 -74.3 114.2 -17.5 8.5 46.6 253 254 A I > - 0 0 104 -2,-0.5 3,-1.5 1,-0.1 4,-0.2 -0.780 44.4 -83.9 -97.6 146.8 -20.0 10.4 48.9 254 255 A K T 3 S+ 0 0 184 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.256 115.6 30.6 -54.7 132.6 -23.3 11.4 47.2 255 256 A G T > S+ 0 0 39 -193,-0.1 3,-0.8 -192,-0.0 -1,-0.2 0.420 82.8 111.4 100.6 -0.6 -23.0 14.6 45.1 256 257 A D T < S+ 0 0 7 -3,-1.5 -2,-0.1 1,-0.2 -34,-0.1 0.953 75.3 52.5 -68.8 -51.9 -19.3 14.3 44.2 257 258 A S T > S+ 0 0 12 -4,-0.2 3,-1.6 2,-0.1 4,-0.5 0.248 82.8 137.3 -71.0 14.9 -19.9 13.7 40.4 258 259 A E T < S+ 0 0 96 -3,-0.8 -4,-0.0 1,-0.3 0, 0.0 -0.317 74.3 4.9 -62.5 144.5 -22.1 16.8 40.4 259 260 A G T 3> S+ 0 0 29 1,-0.1 4,-0.9 3,-0.1 3,-0.4 0.602 96.3 118.1 56.5 10.3 -21.5 19.0 37.4 260 261 A F T <4 + 0 0 3 -3,-1.6 3,-0.5 1,-0.2 -2,-0.1 0.902 64.8 61.7 -71.7 -41.9 -19.2 16.4 36.0 261 262 A V T 4 S+ 0 0 4 -4,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.685 101.3 58.0 -57.7 -18.0 -21.3 15.8 32.9 262 263 A N T >4 S+ 0 0 59 -3,-0.4 3,-2.3 1,-0.1 4,-0.3 0.900 85.9 73.6 -79.7 -45.1 -20.7 19.5 32.0 263 264 A I G >< S+ 0 0 59 -4,-0.9 3,-1.8 -3,-0.5 -2,-0.1 0.802 90.4 58.4 -40.1 -46.9 -16.9 19.5 31.9 264 265 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.806 92.2 70.7 -58.3 -28.5 -16.7 17.6 28.5 265 266 A L G < S+ 0 0 31 -3,-2.3 5,-0.3 1,-0.3 4,-0.2 0.618 82.4 72.5 -64.5 -13.3 -18.8 20.4 26.9 266 267 A S G < S+ 0 0 102 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.340 74.3 106.2 -84.7 7.1 -15.8 22.7 27.1 267 268 A I S X S- 0 0 63 -3,-1.6 3,-1.4 3,-0.3 2,-1.0 -0.660 87.9-100.9 -86.2 144.0 -14.0 20.8 24.3 268 269 A K T 3 S+ 0 0 184 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.534 107.7 6.5 -69.3 101.2 -13.9 22.6 20.9 269 270 A N T 3 S+ 0 0 117 -2,-1.0 2,-0.4 1,-0.2 -1,-0.3 0.751 96.1 113.4 96.2 33.1 -16.7 20.8 19.0 270 271 A V < + 0 0 8 -3,-1.4 -3,-0.3 -5,-0.3 -33,-0.2 -0.950 24.3 158.1-132.3 107.8 -18.3 18.6 21.6 271 272 A C + 0 0 33 -35,-2.1 20,-1.6 -2,-0.4 2,-0.5 0.477 59.3 63.2-110.5 -6.4 -21.9 19.8 22.3 272 273 A F E -gH 237 290B 1 -36,-1.5 -34,-1.1 18,-0.2 2,-0.4 -0.981 61.7-175.9-122.8 127.7 -23.4 16.6 23.7 273 274 A S E -gH 238 289B 0 16,-3.2 16,-2.2 -2,-0.5 2,-0.4 -0.983 4.4-166.6-129.7 128.6 -22.1 15.1 26.9 274 275 A C E -gH 239 288B 0 -36,-3.2 -34,-2.4 -2,-0.4 2,-0.5 -0.912 3.0-166.3-116.3 138.3 -23.1 11.8 28.5 275 276 A F E -gH 240 287B 5 12,-2.3 12,-1.7 -2,-0.4 2,-0.8 -0.953 1.3-171.3-127.5 111.3 -22.4 10.6 32.1 276 277 A L E -gH 241 286B 0 -36,-2.1 -34,-1.9 -2,-0.5 2,-0.9 -0.857 7.3-178.0-103.0 99.0 -23.0 7.0 33.0 277 278 A R E -gH 242 285B 41 8,-3.0 8,-1.4 -2,-0.8 -34,-0.2 -0.833 27.7-130.6-102.8 100.7 -22.6 6.6 36.7 278 279 A E E - H 0 284B 34 -36,-1.5 6,-0.2 -2,-0.9 2,-0.2 -0.261 24.3-131.6 -50.5 111.7 -23.1 2.9 37.7 279 280 A D - 0 0 50 4,-1.7 2,-0.5 1,-0.2 -35,-0.2 -0.492 40.8 -80.9 -71.0 135.3 -25.5 3.0 40.6 280 281 A T 0 0 99 -2,-0.2 -1,-0.2 -37,-0.1 4,-0.1 -0.103 360.0 360.0 -42.0 88.9 -24.4 0.9 43.6 281 282 A E 0 0 125 -2,-0.5 -37,-0.1 2,-0.1 -2,-0.1 -0.586 360.0 360.0 163.3 360.0 -25.5 -2.6 42.5 282 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 283 285 A M 0 0 53 0, 0.0 -4,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -44.8 -28.4 -0.3 37.1 284 286 A I E -HI 278 317B 1 33,-2.8 33,-2.4 -6,-0.2 2,-0.7 -0.912 360.0-139.7-111.8 134.6 -26.7 2.6 35.3 285 287 A K E -HI 277 316B 45 -8,-1.4 -8,-3.0 -2,-0.4 2,-0.4 -0.830 20.6-158.5 -95.6 112.5 -27.5 6.3 36.1 286 288 A I E -HI 276 315B 0 29,-2.3 29,-1.5 -2,-0.7 2,-0.4 -0.762 12.2-178.4 -96.4 132.3 -27.5 8.4 32.9 287 289 A S E -HI 275 314B 22 -12,-1.7 -12,-2.3 -2,-0.4 2,-0.4 -0.997 8.6-162.7-129.6 126.3 -27.1 12.2 32.9 288 290 A L E +HI 274 313B 0 25,-4.2 25,-2.2 -2,-0.4 2,-0.3 -0.910 12.0 170.8-114.8 138.6 -27.2 14.2 29.6 289 291 A R E +HI 273 312B 50 -16,-2.2 -16,-3.2 -2,-0.4 2,-0.3 -0.983 3.5 177.6-142.0 149.3 -26.0 17.7 29.0 290 292 A S E -H 272 0B 6 21,-1.8 2,-0.3 -2,-0.3 -18,-0.2 -0.991 21.6-145.1-155.8 146.3 -25.6 19.8 25.8 291 293 A V S > S+ 0 0 83 -20,-1.6 3,-0.6 -2,-0.3 2,-0.3 -0.771 79.4 16.9-103.3 153.6 -24.5 23.2 24.7 292 294 A G T 3 S- 0 0 43 -2,-0.3 -2,-0.1 1,-0.2 -20,-0.0 -0.652 119.9 -46.5 86.6-138.9 -26.4 24.7 21.8 293 295 A K T 3 S+ 0 0 167 -2,-0.3 -1,-0.2 2,-0.1 18,-0.0 0.366 78.7 135.4-121.0 8.7 -29.8 23.1 20.9 294 296 A F < - 0 0 11 -3,-0.6 2,-1.1 -23,-0.1 45,-0.0 -0.410 60.7-120.6 -60.6 121.6 -29.4 19.3 20.8 295 297 A P > + 0 0 22 0, 0.0 4,-1.4 0, 0.0 3,-0.3 -0.486 36.5 173.9 -69.7 95.9 -32.5 17.9 22.6 296 298 A C H > S+ 0 0 0 14,-2.5 4,-2.6 -2,-1.1 5,-0.2 0.909 78.7 60.2 -67.3 -42.7 -31.2 15.9 25.6 297 299 A N H > S+ 0 0 50 12,-0.9 4,-1.1 1,-0.2 -1,-0.2 0.810 103.7 53.9 -54.9 -30.5 -34.7 15.3 26.9 298 300 A R H >> S+ 0 0 134 -3,-0.3 4,-2.3 2,-0.2 3,-0.6 0.960 112.6 38.4 -70.8 -53.2 -35.4 13.6 23.6 299 301 A L H 3< S+ 0 0 2 -4,-1.4 4,-0.5 1,-0.2 5,-0.4 0.787 110.5 64.6 -67.5 -25.2 -32.6 11.1 23.6 300 302 A A H 3X S+ 0 0 0 -4,-2.6 6,-1.4 1,-0.2 4,-1.0 0.856 112.4 33.2 -64.3 -34.7 -33.2 10.8 27.4 301 303 A A H << S+ 0 0 58 -4,-1.1 4,-0.4 -3,-0.6 -2,-0.2 0.765 113.6 59.3 -92.1 -30.0 -36.6 9.3 26.7 302 304 A E T < S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.393 128.0 8.4 -81.2 4.8 -35.7 7.5 23.5 303 305 A F T 4 S+ 0 0 39 -4,-0.5 -2,-0.2 -3,-0.2 -3,-0.2 0.479 130.5 39.8-155.5 -20.5 -33.1 5.3 25.1 304 306 A F S < S- 0 0 2 -4,-1.0 12,-0.2 -5,-0.4 -18,-0.1 -0.052 96.0-110.7-134.0 38.3 -33.0 5.7 29.0 305 307 A N S S+ 0 0 138 -4,-0.4 11,-0.4 10,-0.2 -4,-0.2 0.820 83.2 95.9 36.6 52.1 -36.6 5.8 30.2 306 308 A G - 0 0 35 -6,-1.4 2,-0.3 9,-0.2 9,-0.2 -0.273 49.2-163.9-134.9-139.9 -36.4 9.5 31.2 307 309 A G E +J 314 0B 29 7,-1.1 7,-1.0 -3,-0.1 2,-0.4 -0.943 20.0 141.2 172.2-157.8 -37.0 13.1 30.3 308 310 A G E -J 313 0B 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.987 54.2 -29.8 134.9-144.3 -35.9 16.5 31.4 309 311 A H - 0 0 89 3,-3.1 -12,-0.9 -2,-0.4 -13,-0.2 -0.625 58.1 -97.5-112.6 170.7 -35.0 19.7 29.6 310 312 A L S S+ 0 0 61 1,-0.2 -14,-2.5 -2,-0.2 -12,-0.1 0.867 122.7 24.6 -51.9 -42.5 -33.5 20.7 26.2 311 313 A N S S+ 0 0 68 1,-0.2 -21,-1.8 -16,-0.2 2,-0.3 0.638 128.2 33.2-101.9 -16.6 -30.0 21.1 27.7 312 314 A A E +I 289 0B 34 -23,-0.2 -3,-3.1 2,-0.0 2,-0.3 -0.989 67.5 119.3-145.6 134.1 -30.0 18.9 30.8 313 315 A S E -IJ 288 308B 10 -25,-2.2 -25,-4.2 -2,-0.3 -5,-0.2 -0.966 22.0-177.3-178.2 166.2 -31.8 15.6 31.7 314 316 A G E +IJ 287 307B 19 -7,-1.0 -7,-1.1 -2,-0.3 -27,-0.2 -0.546 6.4 173.5-148.3-146.5 -31.2 12.0 32.7 315 317 A G E -I 286 0B 19 -29,-1.5 -29,-2.3 -9,-0.2 2,-0.3 -0.649 36.4 -84.1 140.8 163.4 -32.8 8.7 33.5 316 318 A E E -I 285 0B 43 -11,-0.4 2,-0.4 -31,-0.2 -31,-0.2 -0.746 21.4-164.8-106.7 151.0 -31.7 5.1 34.3 317 319 A F E -I 284 0B 41 -33,-2.4 -33,-2.8 -2,-0.3 2,-0.6 -0.986 21.4-137.5-129.5 117.4 -30.8 2.1 32.1 318 320 A Y + 0 0 156 -2,-0.4 2,-0.3 -35,-0.3 -33,-0.0 -0.671 67.3 53.3 -85.1 119.1 -30.7 -1.3 33.9 319 321 A G S S- 0 0 13 -2,-0.6 2,-0.2 0, 0.0 -2,-0.0 -0.896 88.8 -52.6 163.2-131.9 -27.7 -3.5 32.9 320 322 A T > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.618 54.2 -82.0-128.6-170.4 -24.0 -2.9 33.0 321 323 A M H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.978 123.1 35.2 -61.6 -67.3 -21.3 -0.4 31.8 322 324 A E H > S+ 0 0 132 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.651 115.3 62.5 -66.5 -10.2 -20.6 -1.4 28.2 323 325 A E H > S+ 0 0 98 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.917 107.3 40.1 -76.5 -46.4 -24.3 -2.2 28.0 324 326 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 -3,-0.4 5,-0.3 0.959 113.6 56.2 -63.7 -50.0 -25.3 1.4 28.7 325 327 A V H X S+ 0 0 24 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.866 105.7 50.6 -48.1 -45.6 -22.4 2.5 26.4 326 328 A K H X S+ 0 0 116 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.952 110.6 49.5 -59.2 -49.8 -23.8 0.4 23.6 327 329 A V H >X S+ 0 0 19 -4,-1.9 4,-2.2 1,-0.2 3,-1.3 0.962 113.3 45.5 -52.0 -57.7 -27.2 2.0 24.1 328 330 A F H 3X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.907 109.3 57.9 -52.7 -44.5 -25.7 5.5 24.1 329 331 A E H 3X S+ 0 0 68 -4,-3.2 4,-1.3 -5,-0.3 -1,-0.3 0.698 108.4 43.7 -63.2 -22.2 -23.6 4.6 21.0 330 332 A Q H S+ 0 0 83 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.883 113.2 45.1 -67.8 -37.0 -27.0 14.0 11.4 338 340 A L T >4 S+ 0 0 65 -3,-0.5 3,-2.0 1,-0.2 -2,-0.2 0.950 109.7 54.8 -69.1 -48.0 -28.7 16.3 13.9 339 341 A L T 3< S+ 0 0 5 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.2 0.635 104.9 58.5 -58.4 -12.6 -25.5 16.3 16.0 340 342 A K T 34 0 0 100 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.663 360.0 360.0 -91.1 -21.4 -23.9 17.5 12.8 341 343 A E << 0 0 202 -3,-2.0 -2,-0.2 -4,-0.6 -3,-0.1 0.913 360.0 360.0 -90.2 360.0 -26.0 20.6 12.4