==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-10 3MA8 . COMPND 2 MOLECULE: PYRUVATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR A.K.WERNIMONT,A.HUTCHINSON,A.HASSANALI,I.KOZIERADZKI,D.COSSA . 985 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 5 0.5 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 . 1 0.1 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 . 77 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.4 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 4 2 4 3 1 2 2 0 4 2 1 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 5 10 6 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 . 3 4 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 1 1 0 2 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 G 0 0 68 0, 0.0 779,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 144.5 -48.1 18.5 -26.7 2 37 A M >> + 0 0 47 1,-0.2 3,-1.7 2,-0.2 4,-0.9 0.881 360.0 51.9 -85.9 -43.7 -47.0 21.7 -28.5 3 38 A D H 3> S+ 0 0 114 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.639 93.6 76.8 -69.7 -13.5 -47.0 24.1 -25.5 4 39 A K H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.656 97.1 47.1 -68.0 -17.1 -44.8 21.5 -23.7 5 40 A I H <4 S+ 0 0 3 -3,-1.7 -2,-0.2 771,-0.1 -1,-0.2 0.859 117.8 38.7 -86.1 -46.2 -42.0 22.9 -25.9 6 41 A C H < S+ 0 0 40 -4,-0.9 -2,-0.2 739,-0.1 -3,-0.1 0.896 105.0 72.9 -73.7 -43.6 -42.7 26.6 -25.3 7 42 A S S < S- 0 0 41 -4,-3.1 3,-0.1 -5,-0.1 0, 0.0 -0.630 88.4-124.0 -75.9 123.8 -43.6 26.3 -21.6 8 43 A P - 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.169 30.4 -89.6 -65.3 161.0 -40.5 25.7 -19.5 9 44 A L - 0 0 7 -4,-0.1 347,-0.1 1,-0.1 346,-0.0 -0.608 48.0-128.4 -71.0 120.4 -40.1 22.7 -17.1 10 45 A A > - 0 0 44 -2,-0.5 4,-1.2 1,-0.1 3,-0.4 -0.288 11.5-121.2 -69.4 155.6 -41.5 23.8 -13.7 11 46 A D H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.736 109.1 65.7 -68.2 -24.0 -39.4 23.3 -10.5 12 47 A N H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.881 101.1 47.5 -65.2 -40.7 -42.1 21.1 -9.0 13 48 A D H 4 S+ 0 0 65 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.922 112.9 46.5 -69.2 -46.4 -41.6 18.4 -11.6 14 49 A V H >< S+ 0 0 33 -4,-1.2 3,-0.9 1,-0.2 -1,-0.2 0.837 113.3 49.7 -66.3 -35.2 -37.8 18.2 -11.3 15 50 A T H 3< S+ 0 0 113 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.887 114.7 45.2 -68.1 -39.8 -38.0 18.2 -7.5 16 51 A Q T 3< S+ 0 0 61 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 -0.259 84.4 158.4 -98.4 44.4 -40.6 15.4 -7.7 17 52 A R < - 0 0 41 -3,-0.9 423,-0.1 -2,-0.2 -3,-0.1 -0.469 27.0-164.3 -71.0 139.6 -38.7 13.4 -10.3 18 53 A K + 0 0 21 -2,-0.2 422,-2.7 422,-0.1 423,-0.4 0.804 62.0 84.9 -97.8 -36.8 -39.6 9.7 -10.4 19 54 A T S S- 0 0 0 420,-0.2 2,-0.2 332,-0.1 311,-0.2 -0.539 77.9-129.3 -72.9 131.9 -36.7 8.1 -12.3 20 55 A Q E -a 330 0A 8 309,-2.3 311,-2.7 -2,-0.3 2,-0.6 -0.596 12.8-141.6 -88.0 143.1 -33.8 7.3 -10.1 21 56 A I E -a 331 0A 0 21,-0.3 23,-2.7 -2,-0.2 24,-1.5 -0.912 7.7-160.5-112.2 115.2 -30.2 8.4 -11.0 22 57 A I E -ab 332 45A 0 309,-2.7 311,-2.9 -2,-0.6 2,-0.5 -0.837 11.4-165.0 -95.6 109.6 -27.3 6.1 -10.3 23 58 A C E -ab 333 46A 0 22,-2.0 24,-2.9 -2,-0.7 2,-0.4 -0.827 13.6-137.0 -98.1 130.6 -24.0 8.0 -10.2 24 59 A T E - b 0 47A 6 309,-1.6 2,-0.3 -2,-0.5 24,-0.2 -0.706 22.2-130.9 -84.2 134.1 -20.7 6.2 -10.4 25 60 A I + 0 0 16 22,-2.7 24,-0.4 -2,-0.4 313,-0.2 -0.677 41.9 137.6 -92.3 138.5 -18.0 7.5 -8.0 26 61 A G > - 0 0 7 -2,-0.3 3,-2.0 311,-0.3 313,-0.1 -0.882 66.6 -59.9-157.9-173.0 -14.5 8.4 -9.1 27 62 A P G > S+ 0 0 106 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.757 124.9 60.1 -50.4 -32.4 -11.6 10.9 -8.9 28 63 A S G 3 S+ 0 0 41 310,-2.6 311,-0.1 1,-0.2 310,-0.1 0.690 124.8 16.1 -72.6 -20.4 -13.8 13.7 -10.2 29 64 A C G < S+ 0 0 0 -3,-2.0 -1,-0.2 309,-0.4 9,-0.1 -0.135 87.2 118.1-146.3 42.5 -16.3 13.4 -7.3 30 65 A N < + 0 0 54 -3,-0.6 34,-0.1 308,-0.1 -2,-0.1 0.809 57.1 80.6 -84.4 -32.5 -14.5 11.4 -4.6 31 66 A N S > S- 0 0 77 -4,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.142 88.4-109.3 -74.1 171.5 -14.5 14.0 -1.8 32 67 A V H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.890 114.1 53.8 -69.9 -43.0 -17.4 14.8 0.5 33 68 A E H > S+ 0 0 166 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.836 109.7 49.3 -63.1 -35.0 -18.2 18.3 -0.9 34 69 A S H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 108.7 51.8 -70.7 -42.1 -18.6 16.8 -4.4 35 70 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.846 108.1 52.1 -63.5 -35.7 -20.9 14.0 -3.3 36 71 A I H X S+ 0 0 29 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.877 108.0 52.6 -64.7 -38.6 -23.1 16.7 -1.6 37 72 A G H X S+ 0 0 14 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.881 108.4 49.9 -61.2 -40.8 -23.1 18.4 -5.0 38 73 A L H X>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 4,-1.3 0.881 110.1 49.9 -66.0 -40.0 -24.2 15.2 -6.6 39 74 A I H <5S+ 0 0 19 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.897 112.0 48.4 -64.1 -41.3 -27.0 14.8 -4.1 40 75 A D H <5S+ 0 0 95 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 110.2 51.2 -64.9 -38.2 -28.1 18.4 -4.7 41 76 A K H <5S- 0 0 27 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.725 135.1 -89.3 -71.2 -23.8 -28.0 17.7 -8.5 42 77 A G T <5 + 0 0 13 -4,-1.3 -21,-0.3 -5,-0.1 -3,-0.2 0.749 59.4 171.7 122.3 42.7 -30.2 14.7 -7.8 43 78 A M < + 0 0 11 -5,-1.5 -21,-0.2 -8,-0.2 -1,-0.1 -0.565 8.5 176.3 -77.6 138.5 -28.3 11.5 -7.0 44 79 A S + 0 0 2 -23,-2.7 34,-2.5 1,-0.4 2,-0.4 0.768 69.3 18.0-104.8 -46.1 -30.3 8.5 -5.8 45 80 A V E -bc 22 78A 0 -24,-1.5 -22,-2.0 32,-0.2 2,-0.5 -0.996 66.6-139.3-134.3 135.5 -27.6 5.8 -5.6 46 81 A A E -bc 23 79A 0 32,-3.3 34,-3.4 -2,-0.4 2,-0.5 -0.826 21.6-150.2 -92.6 128.4 -23.8 5.9 -5.4 47 82 A R E -bc 24 80A 13 -24,-2.9 -22,-2.7 -2,-0.5 2,-0.6 -0.869 6.5-160.5-106.2 129.6 -22.1 3.3 -7.4 48 83 A L E - c 0 81A 2 32,-2.3 34,-2.7 -2,-0.5 2,-0.8 -0.922 9.3-152.8-111.0 107.9 -18.7 1.8 -6.4 49 84 A N E > - c 0 82A 49 -2,-0.6 3,-0.9 -24,-0.4 34,-0.2 -0.714 10.7-173.7 -85.5 107.2 -16.9 0.1 -9.3 50 85 A F T 3 + 0 0 0 32,-2.8 34,-0.3 -2,-0.8 -1,-0.1 0.256 66.1 95.2 -87.1 11.6 -14.6 -2.6 -7.9 51 86 A S T 3 S+ 0 0 43 31,-0.2 2,-0.2 32,-0.2 -1,-0.2 0.832 100.6 22.9 -63.2 -33.7 -13.1 -3.2 -11.4 52 87 A H S < S+ 0 0 148 -3,-0.9 32,-0.0 2,-0.1 0, 0.0 -0.741 105.6 38.3-121.3 174.6 -10.4 -0.8 -10.2 53 88 A G S S- 0 0 45 -2,-0.2 2,-0.2 4,-0.1 3,-0.0 0.073 70.9-101.6 75.8 172.5 -9.2 0.4 -6.8 54 89 A D > - 0 0 89 1,-0.0 4,-2.4 0, 0.0 5,-0.2 -0.699 36.1 -93.2-123.3 176.8 -8.7 -1.5 -3.5 55 90 A H H > S+ 0 0 38 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.881 124.0 52.9 -59.3 -40.7 -10.7 -1.9 -0.3 56 91 A E H > S+ 0 0 71 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.858 111.5 45.7 -65.2 -37.0 -8.8 1.0 1.4 57 92 A S H > S+ 0 0 46 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.905 117.2 42.9 -72.1 -43.8 -9.5 3.4 -1.5 58 93 A H H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.810 109.3 58.6 -72.0 -32.0 -13.2 2.4 -1.7 59 94 A F H X S+ 0 0 65 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.868 105.0 49.7 -66.1 -37.8 -13.6 2.5 2.1 60 95 A K H X S+ 0 0 122 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.876 111.7 49.2 -66.7 -37.8 -12.5 6.1 2.2 61 96 A T H X S+ 0 0 7 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.868 108.2 54.4 -65.6 -38.4 -15.0 6.9 -0.5 62 97 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 108.1 48.9 -61.2 -42.4 -17.7 5.0 1.5 63 98 A Q H X S+ 0 0 89 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.841 110.5 51.6 -65.4 -35.7 -16.9 7.3 4.5 64 99 A N H X S+ 0 0 21 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.890 109.8 49.0 -67.3 -42.0 -17.2 10.3 2.3 65 100 A I H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.950 112.5 46.9 -61.0 -51.7 -20.6 9.2 0.9 66 101 A R H X S+ 0 0 101 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.795 110.7 52.3 -65.2 -30.8 -22.0 8.6 4.4 67 102 A E H X S+ 0 0 120 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.847 109.5 50.1 -69.6 -35.8 -20.6 11.9 5.6 68 103 A A H X S+ 0 0 1 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.780 106.4 57.3 -68.8 -29.4 -22.5 13.5 2.7 69 104 A A H < S+ 0 0 32 -4,-1.7 3,-0.4 2,-0.2 6,-0.2 0.912 106.3 47.2 -65.7 -45.5 -25.6 11.6 3.8 70 105 A K H < S+ 0 0 172 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.803 106.7 58.2 -67.1 -31.2 -25.5 13.2 7.3 71 106 A A H < S+ 0 0 46 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.774 115.4 37.4 -69.0 -28.2 -25.0 16.6 5.7 72 107 A R S >< S+ 0 0 89 -4,-0.9 3,-0.8 -3,-0.4 -1,-0.3 -0.738 70.5 163.8-121.7 80.6 -28.3 16.1 3.8 73 108 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.791 70.5 63.0 -70.0 -27.9 -30.5 14.2 6.2 74 109 A H T 3 S+ 0 0 154 -4,-0.1 2,-0.2 2,-0.0 -4,-0.1 0.672 100.0 63.6 -73.1 -18.3 -33.8 14.9 4.3 75 110 A S S < S- 0 0 46 -3,-0.8 2,-0.4 -6,-0.2 -3,-0.1 -0.653 75.2-139.9-101.7 163.6 -32.5 12.9 1.3 76 111 A T - 0 0 40 -2,-0.2 2,-0.5 356,-0.1 -2,-0.0 -0.992 12.1-162.9-128.5 128.3 -31.6 9.2 1.1 77 112 A V - 0 0 13 -2,-0.4 -32,-0.2 -32,-0.1 2,-0.1 -0.948 6.0-151.6-119.2 118.9 -28.6 7.8 -0.8 78 113 A G E -c 45 0A 0 -34,-2.5 -32,-3.3 -2,-0.5 2,-0.4 -0.410 10.3-143.1 -77.7 160.7 -28.2 4.1 -1.8 79 114 A I E -c 46 0A 7 -34,-0.2 125,-1.8 -2,-0.1 124,-1.6 -0.983 14.2-164.0-133.1 121.9 -24.8 2.5 -2.1 80 115 A M E -cd 47 204A 1 -34,-3.4 -32,-2.3 -2,-0.4 2,-0.6 -0.826 12.3-149.7-111.5 142.9 -24.0 -0.1 -4.8 81 116 A L E -cd 48 205A 0 123,-2.4 125,-3.0 -2,-0.3 2,-0.7 -0.947 12.4-166.6-109.2 111.0 -21.2 -2.5 -5.2 82 117 A D E -cd 49 206A 0 -34,-2.7 -32,-2.8 -2,-0.6 -31,-0.2 -0.888 16.1-146.0-101.2 111.4 -20.3 -3.3 -8.8 83 118 A T - 0 0 4 123,-1.8 -32,-0.2 -2,-0.7 106,-0.1 -0.247 16.4-129.3 -74.6 160.2 -18.1 -6.3 -9.0 84 119 A K - 0 0 24 -34,-0.3 -1,-0.1 1,-0.1 -33,-0.1 0.889 48.6-179.0 -72.0 -42.8 -15.3 -6.9 -11.5 85 120 A G - 0 0 11 2,-0.1 2,-0.1 101,-0.0 124,-0.1 -0.207 40.8 -17.1 77.1-167.1 -16.7 -10.4 -12.3 86 121 A P S S- 0 0 21 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.488 71.1-173.2 -72.0 146.0 -15.3 -12.9 -14.8 87 122 A E - 0 0 102 -2,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.985 22.0-150.2-145.9 148.6 -12.8 -11.5 -17.3 88 123 A I + 0 0 10 85,-0.3 85,-1.6 -2,-0.3 2,-0.3 -0.977 25.7 167.2-124.0 116.8 -10.8 -12.5 -20.4 89 124 A R B -I 172 0B 83 -2,-0.5 35,-2.9 83,-0.2 36,-0.3 -0.918 31.8-114.3-127.8 154.9 -7.4 -10.9 -21.1 90 125 A T B -J 123 0C 11 81,-2.5 33,-0.3 -2,-0.3 2,-0.1 -0.218 36.6-106.8 -76.5 172.6 -4.5 -11.6 -23.4 91 126 A G - 0 0 3 31,-1.2 79,-1.3 1,-0.2 80,-0.2 -0.253 37.2 -80.4 -93.8-177.2 -1.0 -12.7 -22.3 92 127 A M - 0 0 97 20,-0.4 24,-1.9 22,-0.2 30,-0.2 -0.345 36.2-170.0 -79.6 165.3 2.3 -10.9 -22.1 93 128 A L - 0 0 20 22,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.552 69.6 -24.9-119.5 -92.0 4.6 -10.5 -25.1 94 129 A E S S- 0 0 71 3,-0.8 21,-0.1 1,-0.3 -2,-0.1 0.857 85.8-125.6 -75.1 -38.4 8.3 -9.3 -24.9 95 130 A G S S+ 0 0 37 2,-0.1 -1,-0.3 21,-0.0 -2,-0.2 -0.998 96.8 47.0 -82.2 -5.5 6.8 -8.2 -22.5 96 131 A G S S+ 0 0 73 -3,-0.2 73,-0.1 -4,-0.1 0, 0.0 0.974 99.1 63.9 -59.6 -66.7 8.0 -4.7 -23.5 97 132 A K S S- 0 0 81 1,-0.1 -3,-0.8 71,-0.0 2,-0.4 -0.372 76.8-132.9 -68.8 134.5 7.3 -4.5 -27.3 98 133 A P - 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.747 27.6-118.6 -84.3 135.3 3.7 -4.6 -28.6 99 134 A I - 0 0 23 -2,-0.4 2,-0.2 18,-0.1 18,-0.0 -0.515 20.4-128.5 -80.3 137.0 3.2 -7.0 -31.5 100 135 A E - 0 0 75 -2,-0.2 2,-0.3 64,-0.0 66,-0.2 -0.569 23.1-151.5 -81.9 147.0 2.0 -5.7 -34.9 101 136 A L - 0 0 25 64,-2.0 2,-0.3 -2,-0.2 18,-0.1 -0.873 12.0-174.2-122.4 153.3 -1.0 -7.3 -36.6 102 137 A K > - 0 0 48 -2,-0.3 3,-1.0 16,-0.2 59,-0.3 -0.980 33.4 -94.5-145.9 154.5 -2.1 -7.8 -40.2 103 138 A A T 3 S+ 0 0 74 -2,-0.3 59,-0.2 1,-0.2 61,-0.1 -0.534 103.6 31.1 -74.6 127.9 -5.1 -9.1 -42.1 104 139 A G T 3 0 0 67 57,-1.1 -1,-0.2 -2,-0.3 58,-0.1 0.390 360.0 360.0 110.1 0.5 -4.8 -12.8 -43.3 105 140 A Q < 0 0 103 -3,-1.0 55,-0.1 2,-0.0 -2,-0.1 0.766 360.0 360.0 -70.4 360.0 -2.6 -14.3 -40.5 106 ! 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 0.0 107 143 A K 0 0 58 0, 0.0 14,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 161.8 -3.2 -17.8 -33.3 108 144 A I E -kL 121 157D 24 49,-0.7 49,-3.1 12,-0.2 2,-0.3 -0.960 360.0-165.2-153.5 133.4 -4.2 -18.1 -29.6 109 145 A T E -kL 122 156D 26 12,-2.1 14,-1.1 -2,-0.3 47,-0.2 -0.918 24.9-141.4-124.5 146.5 -3.0 -20.6 -26.9 110 146 A T S S+ 0 0 33 45,-2.2 2,-1.4 -2,-0.3 46,-0.1 0.684 78.8 102.2 -75.4 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I E >S+MN 145 173D 24 5,-0.8 5,-1.9 -2,-0.6 4,-0.4 -0.617 70.5 13.8 -84.9 143.3 -9.2 -8.6 -28.8 141 177 A A T > 5S- 0 0 10 31,-3.1 3,-2.3 -2,-0.3 -1,-0.2 0.976 130.6 -57.0 57.0 67.4 -8.8 -5.2 -27.2 142 178 A D T 3 5S- 0 0 94 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.791 109.1 -43.5 27.2 60.3 -12.5 -4.1 -27.1 143 179 A G T 3 5S+ 0 0 8 2,-0.3 -1,-0.3 -4,-0.1 -2,-0.2 0.443 112.1 108.2 81.5 1.8 -13.2 -4.4 -30.8 144 180 A S T < 5S+ 0 0 69 -3,-2.3 2,-0.4 -4,-0.4 -3,-0.2 0.814 83.1 44.1 -77.3 -32.2 -10.0 -2.9 -32.2 145 181 A L E - 0 0 1 -2,-0.4 3,-2.0 -37,-0.2 -37,-0.1 -0.724 22.7-153.9-116.3 78.6 -16.6 -13.8 -27.4 176 212 A P T 3 S+ 0 0 25 0, 0.0 -39,-0.3 0, 0.0 3,-0.1 -0.318 78.0 7.1 -61.8 125.3 -19.8 -12.5 -29.2 177 213 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 -2,-0.1 96,-0.0 0.640 110.1 110.2 78.0 17.3 -22.5 -15.2 -29.3 178 214 A C < - 0 0 13 -3,-2.0 2,-0.3 -46,-0.0 69,-0.3 -0.962 69.4-118.9-128.2 143.3 -20.5 -17.5 -27.1 179 215 A K - 0 0 64 -2,-0.4 2,-0.6 -48,-0.2 32,-0.0 -0.602 22.6-145.3 -74.1 133.0 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4,-2.3 1,-0.2 3,-0.2 0.855 116.5 61.5 -68.4 -37.9 -26.0 -12.7 -25.4 247 283 A E H > S+ 0 0 44 -69,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.872 103.3 51.5 -59.3 -38.9 -26.2 -15.7 -23.1 248 284 A G H 4 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.857 109.5 50.7 -62.0 -37.2 -27.8 -13.3 -20.4 249 285 A V H >< S+ 0 0 1 -4,-1.0 3,-1.0 -3,-0.2 -2,-0.2 0.860 109.2 50.8 -68.9 -37.6 -30.3 -12.2 -23.1 250 286 A I H 3< S+ 0 0 80 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.903 119.5 35.1 -66.9 -43.4 -31.2 -15.8 -23.9 251 287 A N T 3X S+ 0 0 50 -4,-2.0 4,-1.9 -40,-0.2 -1,-0.2 -0.168 81.7 125.2-102.5 38.1 -31.8 -16.8 -20.3 252 288 A F H <> + 0 0 1 -3,-1.0 4,-3.1 1,-0.2 5,-0.2 0.876 66.8 56.1 -67.1 -40.6 -33.3 -13.4 -19.3 253 289 A D H > S+ 0 0 93 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.903 111.1 43.2 -60.5 -44.1 -36.6 -14.8 -17.9 254 290 A S H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 116.0 48.6 -68.6 -40.8 -34.8 -17.2 -15.4 255 291 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.912 110.7 51.3 -63.1 -44.2 -32.3 -14.4 -14.4 256 292 A C H < S+ 0 0 7 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.4 50.4 -63.5 -35.8 -35.1 -11.9 -13.9 257 293 A S H < S+ 0 0 85 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.885 115.4 41.9 -69.1 -41.1 -37.0 -14.3 -11.6 258 294 A E H < S+ 0 0 70 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.890 108.2 68.2 -73.3 -42.2 -33.9 -15.0 -9.5 259 295 A S S < S- 0 0 0 -4,-2.7 -19,-0.2 -5,-0.2 3,-0.1 -0.309 72.1-138.1 -82.9 162.2 -32.6 -11.5 -9.2 260 296 A D S S- 0 0 46 -21,-1.9 2,-0.3 1,-0.2 -20,-0.2 0.846 85.1 -0.8 -83.0 -41.0 -34.1 -8.4 -7.5 261 297 A G E -f 240 0A 0 -22,-1.8 -20,-1.7 33,-0.2 2,-0.4 -0.838 66.1-130.6-139.7 178.1 -33.3 -6.0 -10.3 262 298 A I E -fg 241 296A 0 33,-1.9 35,-2.6 -2,-0.3 2,-0.5 -0.997 4.9-157.4-136.2 138.7 -31.7 -5.8 -13.8 263 299 A M E -fg 242 297A 3 -22,-2.6 -20,-2.2 -2,-0.4 2,-1.4 -0.981 15.6-143.6-111.9 125.3 -29.1 -3.6 -15.4 264 300 A V E -fg 243 298A 0 33,-3.7 2,-1.7 -2,-0.5 35,-1.5 -0.738 18.7-161.4 -82.9 91.5 -29.0 -3.3 -19.2 265 301 A A E > + g 0 299A 5 -2,-1.4 4,-1.9 -22,-0.6 3,-0.2 -0.583 16.0 174.7 -80.5 85.1 -25.3 -3.1 -19.5 266 302 A R H > + 0 0 0 -2,-1.7 4,-3.0 33,-0.9 -1,-0.2 0.767 67.0 68.9 -67.3 -28.9 -25.2 -1.6 -23.0 267 303 A G H > S+ 0 0 12 2,-0.2 4,-0.6 32,-0.2 -1,-0.2 0.966 110.7 29.1 -52.6 -62.5 -21.4 -1.1 -22.9 268 304 A D H >> S+ 0 0 64 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.842 118.5 57.8 -71.6 -35.0 -20.4 -4.8 -23.0 269 305 A L H >X S+ 0 0 0 -4,-1.9 4,-3.7 1,-0.2 3,-0.6 0.916 100.8 58.5 -57.8 -42.6 -23.6 -5.8 -24.9 270 306 A G H 3< S+ 0 0 7 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.766 108.4 45.3 -56.4 -28.7 -22.4 -3.3 -27.6 271 307 A M H << S+ 0 0 24 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.695 120.8 38.9 -84.7 -23.2 -19.2 -5.4 -27.9 272 308 A E H << S+ 0 0 12 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.858 120.4 35.4 -97.0 -46.2 -21.2 -8.8 -27.9 273 309 A I S < S- 0 0 9 -4,-3.7 -1,-0.1 -5,-0.1 5,-0.1 -0.768 95.4 -94.0-106.2 156.8 -24.2 -8.0 -30.0 274 310 A P >> - 0 0 58 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.292 36.0-108.7 -69.0 157.7 -24.4 -5.7 -33.1 275 311 A P H >> S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.762 115.6 62.6 -58.1 -29.9 -25.4 -2.0 -32.7 276 312 A E H 34 S+ 0 0 8 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.784 102.4 51.9 -64.5 -29.1 -28.8 -2.5 -34.4 277 313 A K H <> S+ 0 0 2 -3,-1.6 4,-3.2 1,-0.2 5,-0.2 0.664 87.7 79.8 -84.2 -18.8 -29.8 -4.9 -31.6 278 314 A I H S+ 0 0 0 -4,-0.4 4,-2.4 2,-0.2 5,-0.3 0.932 113.7 46.8 -69.8 -48.1 -34.3 -3.9 -29.2 281 317 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 5,-0.2 0.898 115.0 48.2 -57.1 -43.8 -32.5 -5.6 -26.3 282 318 A Q H X S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.955 114.6 42.6 -64.2 -53.0 -33.0 -2.5 -24.2 283 319 A K H X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.873 116.1 48.1 -63.5 -41.2 -36.7 -2.0 -24.9 284 320 A C H X S+ 0 0 13 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.903 113.9 45.2 -67.7 -44.9 -37.6 -5.7 -24.6 285 321 A M H X S+ 0 0 3 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.885 113.9 49.5 -68.4 -40.7 -35.7 -6.2 -21.3 286 322 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.934 110.7 51.2 -59.8 -47.3 -37.1 -3.0 -19.7 287 323 A S H X S+ 0 0 64 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.883 109.8 48.7 -59.4 -42.5 -40.6 -4.1 -20.8 288 324 A K H X S+ 0 0 56 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.820 109.3 53.1 -67.9 -32.7 -40.3 -7.5 -19.2 289 325 A C H X>S+ 0 0 1 -4,-1.7 5,-1.9 2,-0.2 4,-0.9 0.803 107.0 52.6 -70.4 -31.3 -39.0 -5.9 -16.0 290 326 A N H <5S+ 0 0 20 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.888 112.2 45.1 -68.0 -41.1 -42.1 -3.7 -15.9 291 327 A V H <5S+ 0 0 61 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.886 113.9 49.2 -67.3 -41.1 -44.3 -6.8 -16.3 292 328 A A H <5S- 0 0 49 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.659 108.3-126.2 -73.1 -18.0 -42.3 -8.7 -13.6 293 329 A G T <5 + 0 0 22 -4,-0.9 -3,-0.2 1,-0.3 122,-0.1 0.744 66.6 128.5 76.8 25.8 -42.5 -5.7 -11.2 294 330 A K < - 0 0 51 -5,-1.9 -1,-0.3 -6,-0.1 -33,-0.2 -0.928 64.3-103.7-117.3 138.6 -38.7 -5.5 -10.7 295 331 A P - 0 0 11 0, 0.0 -33,-1.9 0, 0.0 2,-0.3 -0.266 34.5-158.6 -63.6 141.6 -36.6 -2.4 -11.1 296 332 A V E -g 262 0A 0 -35,-0.2 34,-2.5 31,-0.2 33,-0.7 -0.931 2.7-151.8-122.9 147.0 -34.5 -2.0 -14.3 297 333 A V E -gh 263 330A 3 -35,-2.6 -33,-3.7 -2,-0.3 2,-0.5 -0.968 3.0-157.2-121.9 129.9 -31.4 0.1 -14.9 298 334 A T E +gh 264 331A 0 32,-2.0 34,-2.2 -2,-0.4 2,-0.3 -0.937 31.2 170.3-103.2 124.1 -30.3 1.6 -18.3 299 335 A A E +g 265 0A 0 -35,-1.5 -33,-0.9 -2,-0.5 -32,-0.2 -0.884 19.0 49.0-136.3 159.3 -26.5 2.3 -18.2 300 336 A T S S+ 0 0 30 32,-0.3 -34,-0.1 -2,-0.3 -1,-0.1 0.743 99.3 11.0 86.0 122.1 -23.4 3.3 -20.2 301 337 A Q S S+ 0 0 31 509,-0.1 510,-0.9 1,-0.1 511,-0.2 0.736 76.4 135.4 59.6 30.2 -22.7 6.1 -22.7 302 338 A M S S- 0 0 0 30,-0.3 18,-0.3 1,-0.2 17,-0.1 0.765 91.1 -0.3 -80.8 -27.8 -26.0 7.8 -21.9 303 339 A L S > S+ 0 0 2 16,-0.1 3,-1.9 9,-0.1 -1,-0.2 -0.125 84.3 146.1-148.1 43.0 -24.3 11.3 -21.8 304 340 A E G > + 0 0 73 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.709 65.0 65.9 -63.8 -23.6 -20.6 10.5 -22.5 305 341 A S G >> S+ 0 0 31 1,-0.3 3,-1.4 2,-0.2 4,-0.9 0.743 87.2 71.7 -67.7 -23.0 -20.0 13.7 -24.5 306 342 A M G <4 S+ 0 0 0 -3,-1.9 36,-0.3 1,-0.3 -1,-0.3 0.483 77.7 78.8 -72.7 -3.6 -20.5 15.6 -21.2 307 343 A I G <4 S+ 0 0 46 -3,-1.4 34,-1.7 33,-0.2 -1,-0.3 0.836 110.9 23.2 -65.2 -34.4 -17.2 14.2 -20.0 308 344 A K T <4 S+ 0 0 193 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.489 126.2 45.7-110.7 -7.8 -15.5 16.9 -22.2 309 345 A S S < S- 0 0 42 -4,-0.9 33,-0.1 33,-0.1 32,-0.1 -0.927 70.5-124.3-140.8 163.5 -18.3 19.6 -22.4 310 346 A N S S+ 0 0 65 -2,-0.3 -4,-0.1 2,-0.1 -1,-0.1 0.668 99.1 41.8 -76.5 -20.0 -20.9 21.5 -20.4 311 347 A R S S- 0 0 74 -6,-0.1 -3,-0.1 38,-0.0 35,-0.1 -0.956 82.8-121.9-132.6 147.9 -23.7 20.4 -22.7 312 348 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 -0.268 31.3 -94.2 -85.6 171.8 -24.6 17.0 -24.3 313 349 A T > - 0 0 18 1,-0.1 4,-1.5 -2,-0.0 3,-0.4 -0.441 36.3-111.5 -77.9 160.0 -25.0 15.9 -27.9 314 350 A R H > S+ 0 0 16 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.728 117.4 56.7 -68.3 -22.1 -28.5 15.8 -29.4 315 351 A A H > S+ 0 0 0 482,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.837 106.9 49.0 -74.1 -34.6 -28.4 12.0 -29.6 316 352 A E H > S+ 0 0 4 -3,-0.4 4,-1.6 2,-0.2 5,-0.2 0.798 103.8 61.8 -71.9 -31.1 -27.8 11.8 -25.9 317 353 A M H X S+ 0 0 5 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.912 111.3 37.2 -59.7 -45.4 -30.6 14.2 -25.2 318 354 A T H X S+ 0 0 2 -4,-1.1 4,-3.3 2,-0.2 5,-0.2 0.807 108.2 65.9 -77.4 -31.6 -33.2 11.8 -26.7 319 355 A D H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.894 104.8 42.8 -59.4 -45.3 -31.5 8.6 -25.3 320 356 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 -18,-0.3 -1,-0.2 0.945 116.3 48.5 -64.6 -49.5 -32.2 9.6 -21.7 321 357 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.898 112.5 48.1 -58.0 -44.7 -35.8 10.6 -22.6 322 358 A N H X S+ 0 0 4 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.797 106.7 57.1 -69.3 -29.4 -36.4 7.5 -24.6 323 359 A A H X>S+ 0 0 0 -4,-1.6 5,-2.1 -5,-0.2 4,-0.7 0.901 110.6 44.0 -65.5 -41.3 -35.1 5.3 -21.7 324 360 A V H ><5S+ 0 0 1 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.892 113.5 50.4 -69.2 -41.3 -37.6 6.8 -19.4 325 361 A L H 3<5S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.784 104.1 59.3 -67.5 -28.4 -40.4 6.5 -22.0 326 362 A D H 3<5S- 0 0 33 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.757 127.4-100.7 -67.5 -26.3 -39.4 2.8 -22.5 327 363 A G T <<5 + 0 0 8 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.626 60.3 167.1 113.1 24.3 -40.2 2.3 -18.7 328 364 A S < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.2 -31,-0.1 -0.531 24.5-161.6 -73.9 127.9 -36.7 2.4 -17.1 329 365 A D S S+ 0 0 9 -33,-0.7 -309,-2.3 -2,-0.3 2,-0.3 0.895 75.9 28.7 -72.2 -41.3 -36.8 2.7 -13.3 330 366 A C E -ah 20 297A 0 -34,-2.5 -32,-2.0 -311,-0.2 2,-0.4 -0.896 59.9-161.5-124.7 150.5 -33.2 3.9 -13.1 331 367 A V E -ah 21 298A 0 -311,-2.7 -309,-2.7 -2,-0.3 2,-0.3 -0.997 19.5-152.9-127.9 136.0 -30.7 5.7 -15.3 332 368 A M E -a 22 0A 0 -34,-2.2 2,-0.4 -2,-0.4 -30,-0.3 -0.820 11.2-155.4-115.4 147.5 -26.9 5.5 -14.6 333 369 A L E +a 23 0A 0 -311,-2.9 -309,-1.6 -2,-0.3 -34,-0.0 -0.975 17.9 167.9-115.1 134.9 -23.8 7.7 -15.2 334 370 A S S >> S+ 0 0 28 -2,-0.4 4,-2.2 -311,-0.1 3,-0.5 0.690 76.5 6.1-106.3 -90.5 -20.4 6.0 -15.5 335 371 A G H 3>>S+ 0 0 12 1,-0.2 5,-1.2 3,-0.2 4,-0.7 0.656 119.5 73.1 -72.2 -16.6 -17.5 8.2 -16.8 336 372 A E H 345S+ 0 0 0 3,-0.2 6,-0.4 1,-0.1 -1,-0.2 0.898 115.3 19.8 -64.4 -41.8 -19.7 11.3 -16.8 337 373 A T H <45S+ 0 0 0 -3,-0.5 -311,-0.3 2,-0.1 -2,-0.2 0.848 130.4 45.6 -92.6 -43.8 -19.6 11.5 -13.0 338 374 A A H <5S+ 0 0 6 -4,-2.2 -310,-2.6 -313,-0.2 -309,-0.4 0.942 133.0 8.0 -70.4 -52.8 -16.6 9.4 -12.2 339 375 A N T <5S+ 0 0 112 -4,-0.7 -3,-0.2 -5,-0.2 -1,-0.1 0.474 102.5 108.0-111.8 -6.8 -13.9 10.7 -14.6 340 376 A G < - 0 0 3 -5,-1.2 -33,-0.2 1,-0.1 -32,-0.1 -0.165 66.4-134.0 -74.8 166.4 -15.6 13.7 -16.3 341 377 A A S S+ 0 0 73 -34,-1.7 -34,-0.1 1,-0.2 -1,-0.1 0.378 102.9 46.9 -95.8 -0.5 -14.9 17.4 -15.9 342 378 A F > + 0 0 63 -6,-0.4 4,-1.8 -36,-0.3 -1,-0.2 -0.510 60.1 146.9-140.0 68.0 -18.6 18.2 -15.5 343 379 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.854 76.3 50.9 -72.3 -35.1 -20.2 15.7 -13.0 344 380 A F H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.854 112.7 46.1 -72.8 -36.4 -22.7 18.2 -11.6 345 381 A D H > S+ 0 0 48 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.881 109.6 54.9 -71.2 -41.0 -23.9 19.2 -15.1 346 382 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -10,-0.2 -2,-0.2 0.918 114.4 40.1 -56.9 -47.2 -24.1 15.5 -16.2 347 383 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.885 115.8 52.5 -69.0 -40.5 -26.4 14.8 -13.2 348 384 A N H X S+ 0 0 70 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 110.9 45.4 -62.1 -47.7 -28.3 18.0 -13.7 349 385 A V H X S+ 0 0 16 -4,-3.2 4,-2.1 1,-0.2 5,-0.2 0.884 113.7 49.6 -64.8 -40.0 -29.0 17.5 -17.4 350 386 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.865 110.2 52.1 -67.0 -36.2 -30.1 13.9 -16.7 351 387 A S H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 112.4 43.6 -63.2 -47.8 -32.4 15.0 -13.9 352 388 A R H X S+ 0 0 74 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.868 114.1 48.9 -70.8 -38.8 -34.2 17.6 -16.0 353 389 A V H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.913 111.4 50.1 -66.8 -44.4 -34.6 15.4 -19.1 354 390 A C H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.921 110.9 50.2 -55.9 -46.6 -36.0 12.5 -17.0 355 391 A A H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.885 111.0 48.2 -61.2 -42.0 -38.5 14.9 -15.4 356 392 A Q H X S+ 0 0 4 -4,-2.0 4,-0.8 1,-0.2 3,-0.4 0.910 109.4 52.9 -65.1 -43.9 -39.6 16.3 -18.8 357 393 A A H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.868 105.7 55.1 -58.1 -38.5 -40.0 12.7 -20.1 358 394 A E H >< S+ 0 0 9 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.808 103.6 53.9 -67.5 -30.8 -42.2 11.9 -17.2 359 395 A T H 3< S+ 0 0 41 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.676 104.6 56.8 -75.6 -18.1 -44.6 14.8 -17.9 360 396 A C T << S+ 0 0 46 -4,-0.8 2,-0.4 -3,-0.6 -1,-0.2 0.298 85.0 105.7 -94.5 7.3 -45.0 13.4 -21.5 361 397 A I < - 0 0 28 -3,-0.9 2,-1.1 -4,-0.1 -36,-0.0 -0.729 68.1-139.8 -87.2 136.2 -46.2 10.0 -20.2 362 398 A D > - 0 0 98 -2,-0.4 4,-2.4 1,-0.2 3,-0.3 -0.792 22.3-174.4 -93.7 91.0 -49.9 9.3 -20.6 363 399 A Y H > S+ 0 0 34 -2,-1.1 4,-2.8 1,-0.2 5,-0.2 0.869 76.2 58.1 -61.4 -45.1 -50.4 7.5 -17.2 364 400 A P H > S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.919 113.8 40.2 -47.2 -48.9 -54.0 6.4 -17.7 365 401 A V H > S+ 0 0 90 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.894 113.4 53.9 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