==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-OCT-09 3KHD . COMPND 2 MOLECULE: PYRUVATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR A.K.WERNIMONT,A.HUTCHINSON,A.HASSANALI,F.MACKENZIE,D.COSSAR, . 1757 23 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1242 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 225 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 121 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 570 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 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 16 11 2 4 4 5 3 7 0 6 2 7 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 11 12 15 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 . 4 3 0 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 1 1 0 4 2 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 19 A A 0 0 36 0, 0.0 1001,-0.5 0, 0.0 319,-0.2 0.000 360.0 360.0 360.0 -34.1 23.1 12.1 15.2 2 20 A A + 0 0 5 317,-1.6 318,-0.2 999,-0.1 319,-0.1 -0.011 360.0 86.7-116.2 24.8 19.8 10.3 14.8 3 21 A G S S- 0 0 13 1,-0.2 353,-1.9 352,-0.1 2,-0.2 0.305 82.8 -28.5-101.5-138.8 21.4 7.5 12.7 4 22 A A - 0 0 15 351,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.510 46.8-143.9 -86.6 149.7 23.2 4.2 13.2 5 23 A S > - 0 0 7 349,-0.4 4,-2.5 -2,-0.2 5,-0.3 -0.498 38.4 -94.9 -94.6 173.4 25.3 3.1 16.1 6 24 A M H > S+ 0 0 1 991,-0.4 4,-1.6 1,-0.2 5,-0.1 0.938 130.2 40.8 -49.6 -51.4 28.4 0.9 16.0 7 25 A Q H > S+ 0 0 79 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 111.7 55.7 -67.9 -40.3 26.2 -2.1 16.7 8 26 A S H 4 S+ 0 0 20 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.938 112.3 41.8 -58.7 -49.7 23.3 -1.0 14.4 9 27 A A H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.820 113.2 53.3 -68.9 -34.1 25.6 -0.7 11.3 10 28 A A H 3< S+ 0 0 10 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.748 104.4 57.7 -70.2 -25.0 27.5 -3.9 12.2 11 29 A N T 3< S+ 0 0 113 -4,-1.5 2,-0.4 -3,-0.3 -1,-0.2 0.308 71.5 129.8 -91.3 7.4 24.1 -5.7 12.3 12 30 A I < - 0 0 8 -3,-1.0 2,-0.2 1165,-0.1 -3,-0.1 -0.513 52.3-143.1 -63.0 119.1 23.1 -4.8 8.8 13 31 A T >> - 0 0 49 -2,-0.4 3,-2.0 1,-0.1 4,-1.1 -0.515 20.2-116.7 -92.7 156.2 22.1 -8.2 7.3 14 32 A L H 3> S+ 0 0 59 1,-0.3 4,-2.8 2,-0.2 5,-0.5 0.734 113.1 69.6 -58.5 -24.5 22.6 -9.5 3.7 15 33 A R H 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.702 97.9 50.6 -66.9 -22.3 18.8 -9.6 3.5 16 34 A Q H <4 S+ 0 0 38 -3,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.891 115.6 39.9 -78.9 -44.8 18.9 -5.7 3.4 17 35 A I H < S+ 0 0 24 -4,-1.1 -2,-0.2 1160,-0.1 1157,-0.2 0.918 129.7 25.3 -71.0 -46.4 21.6 -5.5 0.6 18 36 A L S < S+ 0 0 105 -4,-2.8 -3,-0.2 1127,-0.0 -2,-0.1 0.969 115.3 50.9 -88.5 -63.5 20.3 -8.3 -1.6 19 37 A E 0 0 62 -5,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.319 360.0 360.0 -76.0 160.2 16.5 -8.9 -1.1 20 38 A P 0 0 87 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.781 360.0 360.0-106.8 360.0 13.9 -6.1 -1.2 21 ! 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 22 40 A N 0 0 119 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -44.2 9.1 -5.1 -0.2 23 41 A V - 0 0 68 -3,-0.3 2,-0.1 1,-0.2 5,-0.1 -0.086 360.0 -78.0 -66.9 162.8 7.0 -3.1 2.3 24 42 A N > - 0 0 112 1,-0.1 3,-1.2 2,-0.1 -1,-0.2 -0.364 36.9-129.9 -61.1 140.3 4.3 -0.6 1.5 25 43 A L G > S+ 0 0 26 26,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.794 104.5 53.6 -64.6 -31.9 5.7 2.8 0.3 26 44 A R G 3 S+ 0 0 56 1,-0.2 -1,-0.2 25,-0.1 26,-0.1 0.464 88.2 78.4 -86.2 -2.1 3.5 4.8 2.8 27 45 A S G < S+ 0 0 57 -3,-1.2 -1,-0.2 388,-0.0 -2,-0.1 0.477 71.1 115.5 -82.8 -3.4 4.7 2.9 5.8 28 46 A K < - 0 0 6 -3,-0.8 406,-0.1 -4,-0.1 318,-0.1 -0.249 62.7-143.3 -65.0 154.6 8.0 4.9 5.8 29 47 A K S S+ 0 0 21 404,-0.1 405,-2.4 405,-0.1 406,-0.4 0.911 79.6 74.5 -87.1 -48.8 8.8 7.3 8.6 30 48 A T S S- 0 0 0 403,-0.2 2,-0.3 404,-0.1 294,-0.2 -0.471 79.7-136.5 -67.7 133.7 10.5 10.1 6.7 31 49 A H E -a 324 0A 4 292,-2.4 294,-2.4 400,-0.2 2,-0.5 -0.683 8.9-134.1 -99.3 149.9 7.9 12.2 4.8 32 50 A I E -ab 325 54A 0 21,-0.6 23,-2.4 -2,-0.3 24,-2.1 -0.883 8.6-160.4-111.7 127.3 8.2 13.6 1.3 33 51 A V E -ab 326 56A 0 292,-3.2 294,-2.6 -2,-0.5 2,-0.5 -0.873 14.3-160.0 -98.3 133.5 7.5 17.1 -0.0 34 52 A C E -ab 327 57A 0 22,-2.6 24,-3.1 -2,-0.4 2,-0.5 -0.968 13.5-137.4-122.7 125.2 6.9 17.3 -3.8 35 53 A T E - b 0 58A 6 292,-2.5 2,-0.2 -2,-0.5 24,-0.2 -0.672 29.8-134.3 -77.9 125.0 7.2 20.5 -5.8 36 54 A L + 0 0 17 22,-2.4 24,-0.3 -2,-0.5 296,-0.2 -0.551 41.3 127.1 -89.2 145.9 4.3 20.6 -8.3 37 55 A G > - 0 0 12 294,-0.4 3,-0.8 -2,-0.2 4,-0.2 -0.910 68.8 -51.4-168.4-167.6 4.5 21.4 -12.0 38 56 A P G > S+ 0 0 118 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.790 122.1 61.1 -53.2 -37.4 3.7 20.4 -15.6 39 57 A A G 3 S+ 0 0 32 293,-2.3 3,-0.2 1,-0.2 293,-0.2 0.854 119.5 25.3 -63.3 -37.8 5.2 16.9 -15.2 40 58 A C G < S+ 0 0 0 -3,-0.8 -1,-0.2 291,-0.4 6,-0.1 0.097 88.4 112.2-113.7 20.1 2.8 15.9 -12.5 41 59 A K < + 0 0 34 -3,-0.8 -1,-0.1 -4,-0.2 -2,-0.1 0.699 54.5 98.9 -66.5 -21.4 -0.0 18.3 -13.4 42 60 A S S > S- 0 0 47 -4,-0.3 4,-1.8 -3,-0.2 5,-0.1 -0.404 76.3-134.4 -71.5 143.4 -2.2 15.4 -14.5 43 61 A V H > S+ 0 0 55 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.833 109.5 51.5 -62.9 -35.1 -4.9 14.0 -12.1 44 62 A E H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 108.7 48.9 -66.3 -45.9 -3.7 10.5 -12.9 45 63 A T H > S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.805 106.3 56.6 -69.9 -32.0 0.0 11.3 -12.2 46 64 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 3,-0.2 0.896 106.1 50.2 -64.7 -42.7 -0.8 12.9 -8.8 47 65 A V H X S+ 0 0 12 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.889 107.1 55.7 -59.8 -41.5 -2.5 9.7 -7.6 48 66 A K H X S+ 0 0 104 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.804 106.5 50.2 -62.4 -32.0 0.6 7.8 -8.7 49 67 A L H X>S+ 0 0 0 -4,-1.2 5,-2.0 -3,-0.2 4,-1.6 0.859 104.9 56.9 -74.6 -38.9 2.8 10.0 -6.5 50 68 A I H ><5S+ 0 0 1 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.948 110.0 44.7 -53.3 -52.0 0.5 9.4 -3.5 51 69 A D H 3<5S+ 0 0 77 -4,-2.0 -26,-0.3 1,-0.2 -1,-0.2 0.716 111.1 55.5 -65.8 -22.7 1.0 5.7 -3.9 52 70 A A H 3<5S- 0 0 7 -4,-0.7 293,-0.3 -5,-0.2 -1,-0.2 0.700 132.7 -84.9 -84.5 -23.1 4.7 6.4 -4.3 53 71 A G T <<5 + 0 0 0 -4,-1.6 -21,-0.6 -3,-0.6 -3,-0.2 0.626 65.9 160.2 129.9 25.1 4.9 8.3 -1.0 54 72 A M E < +b 32 0A 0 -5,-2.0 -1,-0.2 1,-0.2 -21,-0.2 -0.490 2.1 163.9 -70.3 138.8 4.0 11.9 -1.4 55 73 A D E + 0 0 7 -23,-2.4 34,-2.4 1,-0.4 2,-0.4 0.632 62.8 29.1-123.4 -38.9 3.0 13.6 1.9 56 74 A I E -bc 33 89A 1 -24,-2.1 -22,-2.6 32,-0.2 2,-0.6 -0.989 66.5-141.9-131.4 137.3 3.1 17.3 1.3 57 75 A C E -bc 34 90A 0 32,-2.9 34,-2.9 -2,-0.4 2,-0.5 -0.885 15.4-151.2 -99.8 122.9 2.5 19.3 -1.9 58 76 A R E -bc 35 91A 24 -24,-3.1 -22,-2.4 -2,-0.6 2,-0.8 -0.844 3.9-161.2 -95.9 123.9 4.8 22.3 -2.5 59 77 A F E - c 0 92A 1 32,-2.9 34,-1.7 -2,-0.5 2,-0.8 -0.890 11.7-152.0-104.4 101.3 3.3 25.2 -4.5 60 78 A N E > - c 0 93A 37 -2,-0.8 3,-0.8 -24,-0.3 34,-0.1 -0.652 10.6-171.3 -78.9 109.7 6.3 27.3 -5.7 61 79 A F T 3 + 0 0 1 32,-2.0 34,-0.3 -2,-0.8 -1,-0.1 0.088 67.4 89.6 -94.4 22.9 5.0 30.9 -6.1 62 80 A S T 3 S+ 0 0 54 32,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.757 100.1 29.4 -78.5 -29.3 8.2 32.2 -7.8 63 81 A H S < S+ 0 0 142 -3,-0.8 -1,-0.1 2,-0.1 32,-0.0 -0.905 102.6 33.3-128.6 156.4 6.6 31.2 -11.1 64 82 A G S S- 0 0 44 -2,-0.3 2,-0.2 -3,-0.1 0, 0.0 0.130 72.0 -95.3 84.6 160.1 2.9 30.9 -12.2 65 83 A S > - 0 0 56 1,-0.0 4,-2.1 0, 0.0 5,-0.2 -0.492 37.1 -97.5-103.5 175.2 -0.2 32.9 -11.4 66 84 A H H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.853 125.4 53.4 -59.0 -37.5 -3.1 32.3 -9.0 67 85 A E H > S+ 0 0 56 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.877 107.9 49.8 -65.9 -40.9 -5.1 30.8 -11.8 68 86 A D H > S+ 0 0 95 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.914 115.5 42.6 -62.4 -45.9 -2.3 28.3 -12.6 69 87 A H H X S+ 0 0 22 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.776 108.1 59.6 -73.6 -30.5 -1.9 27.2 -9.0 70 88 A K H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.889 106.8 46.8 -65.4 -41.8 -5.7 27.1 -8.4 71 89 A E H X S+ 0 0 125 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.868 113.6 49.2 -64.9 -39.1 -6.1 24.5 -11.2 72 90 A M H X S+ 0 0 18 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.862 110.8 50.8 -66.5 -38.1 -3.1 22.6 -9.6 73 91 A F H X S+ 0 0 10 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.923 111.5 46.6 -63.7 -47.7 -4.8 22.9 -6.2 74 92 A N H X S+ 0 0 74 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.829 107.5 57.1 -65.8 -35.7 -8.1 21.5 -7.5 75 93 A N H X S+ 0 0 46 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.861 106.9 49.1 -62.5 -38.4 -6.3 18.6 -9.3 76 94 A V H X S+ 0 0 1 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.862 107.1 55.5 -68.3 -38.1 -4.7 17.5 -6.1 77 95 A L H X S+ 0 0 63 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.821 104.1 54.4 -63.7 -33.4 -8.2 17.6 -4.4 78 96 A K H X S+ 0 0 110 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.820 108.0 49.4 -66.2 -33.9 -9.4 15.3 -7.1 79 97 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.775 107.0 55.3 -74.0 -29.2 -6.6 12.9 -6.1 80 98 A Q H < S+ 0 0 26 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.845 106.7 50.9 -67.9 -36.6 -7.7 13.3 -2.5 81 99 A E H < S+ 0 0 140 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.812 112.4 46.7 -67.7 -32.4 -11.2 12.2 -3.5 82 100 A L H < S+ 0 0 93 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.785 116.2 45.1 -81.6 -31.2 -9.6 9.1 -5.3 83 101 A R < + 0 0 80 -4,-1.8 -1,-0.2 1,-0.1 -4,-0.0 -0.846 66.9 173.3-115.4 92.6 -7.4 8.2 -2.3 84 102 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.820 74.0 52.8 -71.5 -33.8 -9.5 8.5 0.8 85 103 A N S S+ 0 0 88 353,-0.1 2,-0.2 2,-0.0 352,-0.1 0.902 97.3 72.5 -70.3 -44.2 -7.0 7.1 3.3 86 104 A C - 0 0 11 -6,-0.1 2,-0.4 352,-0.1 -3,-0.1 -0.512 61.1-170.5 -75.2 139.3 -4.1 9.5 2.5 87 105 A L - 0 0 40 -2,-0.2 2,-0.2 339,-0.1 350,-0.2 -0.925 13.4-151.1-136.5 108.6 -4.5 13.1 3.5 88 106 A L - 0 0 0 -2,-0.4 -32,-0.2 -12,-0.1 2,-0.2 -0.516 8.8-125.2 -91.9 145.6 -1.8 15.5 2.1 89 107 A G E -c 56 0A 0 -34,-2.4 -32,-2.9 -2,-0.2 2,-0.6 -0.571 19.1-135.2 -83.4 148.1 -0.4 18.7 3.5 90 108 A M E -c 57 0A 8 -2,-0.2 115,-2.6 -34,-0.2 114,-2.4 -0.899 22.3-175.2-111.9 107.8 -0.4 22.0 1.5 91 109 A L E -cd 58 205A 0 -34,-2.9 -32,-2.9 -2,-0.6 2,-0.6 -0.880 9.3-164.4-107.1 129.0 2.8 24.0 1.5 92 110 A L E -cd 59 206A 0 113,-2.3 115,-1.7 -2,-0.5 2,-0.5 -0.949 9.1-157.1-112.2 113.1 3.1 27.4 -0.2 93 111 A D E -cd 60 207A 0 -34,-1.7 -32,-2.0 -2,-0.6 2,-0.2 -0.788 14.0-138.2 -91.4 126.5 6.7 28.6 -0.8 94 112 A T - 0 0 6 113,-2.1 -32,-0.2 -2,-0.5 92,-0.0 -0.492 9.7-139.3 -82.6 152.1 7.1 32.4 -1.1 95 113 A K + 0 0 26 -34,-0.3 -1,-0.1 -2,-0.2 -33,-0.1 0.891 46.1 177.1 -71.6 -42.8 9.4 34.1 -3.6 96 114 A G - 0 0 8 89,-0.1 2,-0.2 91,-0.1 89,-0.1 -0.106 36.1 -26.1 71.8-168.7 10.5 36.6 -0.9 97 115 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 88,-0.1 -0.518 61.9 178.1 -79.8 148.2 13.0 39.4 -1.2 98 116 A E - 0 0 124 -2,-0.2 2,-0.5 75,-0.0 77,-0.1 -0.983 24.9-135.9-145.6 154.5 15.9 39.2 -3.8 99 117 A I E -I 174 0B 14 75,-0.5 75,-1.7 -2,-0.3 2,-0.3 -0.970 28.2-172.1-113.1 126.3 18.8 41.4 -4.9 100 118 A R E -I 173 0B 16 -2,-0.5 25,-2.2 73,-0.2 26,-0.2 -0.873 20.8-121.7-120.5 150.7 19.3 41.7 -8.7 101 119 A T B -O 124 0C 19 71,-2.1 23,-0.2 -2,-0.3 73,-0.1 -0.290 35.3-112.8 -75.5 170.1 22.0 43.2 -11.0 102 120 A G - 0 0 2 21,-1.6 69,-2.0 1,-0.2 70,-0.2 0.165 39.2 -67.2 -88.8-155.5 21.2 45.8 -13.6 103 121 A F E -p 116 0D 112 12,-0.6 14,-1.6 10,-0.2 2,-0.4 -0.630 40.0-153.7 -99.5 160.2 21.1 46.0 -17.4 104 122 A L E p 117 0D 66 12,-0.2 14,-0.2 -2,-0.2 66,-0.1 -0.995 360.0 360.0-138.5 139.1 24.0 45.8 -19.8 105 123 A K 0 0 134 12,-0.8 -1,-0.1 -2,-0.4 12,-0.1 0.676 360.0 360.0 -83.7 360.0 24.7 47.1 -23.3 106 ! 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 0.0 107 135 A L 0 0 46 0, 0.0 53,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.0 33.9 47.1 -10.9 108 136 A K E -jK 121 159B 26 12,-2.4 14,-2.3 51,-0.2 2,-0.5 -0.743 360.0-153.9 -95.1 146.0 31.8 49.9 -9.5 109 137 A L E -j 122 0B 15 49,-2.3 49,-0.4 -2,-0.3 2,-0.3 -0.948 11.3-166.8-125.0 111.2 28.2 49.3 -8.3 110 138 A V E -j 123 0B 21 12,-1.0 14,-1.4 -2,-0.5 47,-0.2 -0.720 24.8-137.5 -98.4 146.1 25.8 52.3 -8.4 111 139 A T S S+ 0 0 39 45,-1.5 2,-0.8 -2,-0.3 -1,-0.1 0.653 79.0 102.5 -74.0 -18.6 22.4 52.4 -6.7 112 140 A D > - 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0 0 22 -4,-2.2 3,-0.3 3,-0.2 -2,-0.1 -0.069 60.7 -28.3 60.1-155.2 -4.3 36.7 11.9 226 254 A P T >4 S+ 0 0 120 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.836 138.2 53.1 -64.1 -36.9 -7.5 34.9 13.1 227 255 A R T 34 S+ 0 0 172 -3,-0.4 3,-0.2 1,-0.2 -2,-0.2 0.795 119.6 34.1 -70.6 -30.9 -8.4 33.6 9.6 228 256 A G T >< S+ 0 0 1 -4,-1.5 3,-1.2 -3,-0.3 -1,-0.2 -0.028 81.0 118.1-113.8 29.2 -5.0 32.0 9.1 229 257 A R T < S+ 0 0 44 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.806 74.8 52.6 -64.9 -32.5 -4.3 31.0 12.7 230 258 A H T 3 S+ 0 0 124 -4,-0.2 2,-0.5 -3,-0.2 -1,-0.2 0.370 86.0 102.4 -89.0 3.7 -4.1 27.3 11.8 231 259 A I S < S- 0 0 11 -3,-1.2 2,-0.2 -26,-0.0 -26,-0.2 -0.789 70.3-133.6 -89.5 127.1 -1.5 27.8 9.1 232 260 A K E -e 205 0A 40 -28,-3.3 -26,-2.5 -2,-0.5 2,-0.6 -0.575 8.8-138.8 -82.5 141.1 2.0 26.9 10.2 233 261 A I E -e 206 0A 1 -2,-0.2 21,-2.5 -28,-0.2 22,-0.8 -0.896 17.6-173.8-103.2 118.0 5.0 29.2 9.4 234 262 A I E -e 207 0A 3 -28,-2.9 -26,-0.8 -2,-0.6 22,-0.2 -0.864 14.7-147.9-115.9 94.7 8.2 27.5 8.3 235 263 A P E -e 208 0A 0 0, 0.0 22,-2.8 0, 0.0 2,-0.6 -0.294 6.4-139.1 -56.4 140.0 11.2 29.9 8.0 236 264 A K E -f 257 0A 29 -28,-2.7 -25,-1.4 20,-0.2 2,-0.6 -0.935 11.6-145.9-101.7 118.1 13.8 29.2 5.3 237 265 A I E +f 258 0A 1 20,-1.8 22,-0.5 -2,-0.6 26,-0.2 -0.774 39.0 146.9 -85.9 121.4 17.3 29.8 6.6 238 266 A E + 0 0 24 -2,-0.6 28,-0.4 -27,-0.3 27,-0.3 0.535 50.3 43.8-134.5 -17.9 19.3 31.2 3.6 239 267 A N S >> S- 0 0 2 -28,-0.3 4,-1.1 26,-0.1 3,-0.7 -0.796 84.9 -98.8-130.6 173.5 21.9 33.7 4.9 240 268 A I H 3> S+ 0 0 0 1,-0.2 4,-2.3 -2,-0.2 3,-0.4 0.856 120.9 58.0 -59.8 -38.5 24.5 34.2 7.6 241 269 A E H 3> S+ 0 0 32 -62,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.811 102.6 55.3 -60.6 -32.2 22.1 36.3 9.6 242 270 A G H <4 S+ 0 0 0 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.812 109.0 47.0 -69.0 -32.9 19.7 33.4 9.6 243 271 A I H >< S+ 0 0 8 -4,-1.1 3,-1.2 -3,-0.4 4,-0.3 0.906 111.6 50.0 -73.1 -45.8 22.3 31.2 11.2 244 272 A I H 3< S+ 0 0 61 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.906 120.6 34.5 -60.1 -45.0 23.3 33.7 13.8 245 273 A H T 3X S+ 0 0 53 -4,-1.9 4,-1.6 -33,-0.2 -1,-0.3 0.043 84.5 118.0-101.9 25.2 19.7 34.3 15.0 246 274 A F H <> + 0 0 5 -3,-1.2 4,-3.0 1,-0.2 -1,-0.2 0.884 68.1 55.9 -58.5 -47.1 18.6 30.7 14.4 247 275 A D H > S+ 0 0 85 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.933 111.1 41.9 -54.2 -53.6 17.7 29.9 18.0 248 276 A K H > S+ 0 0 136 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.814 114.6 52.5 -68.0 -32.0 15.2 32.8 18.4 249 277 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.3 0.936 108.7 50.8 -65.5 -47.8 13.8 32.2 15.0 250 278 A L H < S+ 0 0 5 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.903 106.2 54.3 -56.0 -47.1 13.2 28.5 15.8 251 279 A A H < S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.6 38.7 -59.6 -37.6 11.4 29.3 19.1 252 280 A E H < S+ 0 0 85 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.728 106.3 84.5 -82.8 -25.4 8.9 31.6 17.3 253 281 A S S < S- 0 0 1 -4,-2.0 -19,-0.2 -5,-0.1 3,-0.1 -0.261 71.0-140.8 -78.1 163.5 8.6 29.3 14.2 254 282 A D S S- 0 0 50 -21,-2.5 2,-0.3 1,-0.3 -20,-0.2 0.487 82.7 -25.1 -96.2 -8.4 6.4 26.3 13.6 255 283 A G - 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0 0 47 -2,-0.4 3,-2.5 745,-0.4 4,-0.1 -0.314 41.6-117.3 -52.0 132.5 32.6 28.9 3.0 269 297 A P G > S+ 0 0 28 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.716 110.1 58.1 -53.3 -32.3 31.9 25.8 0.8 270 298 A E G 3 S+ 0 0 46 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.602 101.7 57.5 -71.9 -12.7 33.6 23.2 3.1 271 299 A K G <> S+ 0 0 1 -3,-2.5 4,-1.0 1,-0.2 3,-0.3 0.177 70.7 103.8-110.5 15.0 31.3 24.2 6.1 272 300 A V H <> S+ 0 0 2 -3,-0.9 4,-1.2 1,-0.2 3,-0.2 0.876 78.3 53.5 -65.3 -41.5 27.9 23.5 4.6 273 301 A F H > S+ 0 0 13 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.730 100.9 63.1 -70.2 -22.4 27.3 20.2 6.4 274 302 A L H > S+ 0 0 3 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.927 102.6 47.1 -65.3 -48.3 27.9 22.0 9.8 275 303 A A H X S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.2 -1,-0.2 0.822 115.0 48.5 -64.1 -33.4 25.0 24.3 9.4 276 304 A Q H X S+ 0 0 14 -4,-1.2 4,-2.3 2,-0.2 5,-0.3 0.958 112.1 46.0 -70.1 -53.6 22.8 21.4 8.5 277 305 A K H X S+ 0 0 19 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.860 113.2 51.3 -59.1 -39.7 23.9 19.1 11.3 278 306 A L H X S+ 0 0 15 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.902 113.2 42.7 -63.0 -45.6 23.5 21.9 13.9 279 307 A M H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.843 112.1 51.6 -77.2 -36.2 19.9 22.9 12.9 280 308 A I H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.911 112.3 47.5 -66.5 -42.8 18.5 19.4 12.5 281 309 A S H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.918 113.0 47.8 -62.1 -46.0 19.8 18.4 16.0 282 310 A K H X S+ 0 0 44 -4,-1.9 4,-1.6 2,-0.2 6,-0.2 0.822 111.5 50.7 -66.3 -33.6 18.4 21.6 17.6 283 311 A C H X>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-1.1 0.901 111.0 49.5 -68.4 -42.7 15.0 21.1 15.8 284 312 A N H <5S+ 0 0 2 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.937 110.1 50.4 -56.0 -50.7 15.0 17.5 17.1 285 313 A L H <5S+ 0 0 19 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.824 115.7 41.8 -61.7 -35.2 15.8 18.7 20.7 286 314 A Q H <5S- 0 0 110 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.626 109.8-123.7 -82.7 -16.5 13.0 21.2 20.5 287 315 A G T <5 + 0 0 16 -4,-1.1 -3,-0.2 -3,-0.5 122,-0.1 0.716 62.6 145.0 74.3 22.5 10.6 18.8 18.8 288 316 A K < - 0 0 49 -5,-2.3 -1,-0.3 -6,-0.2 -33,-0.2 -0.781 53.0-111.9 -92.1 136.3 10.2 21.2 16.0 289 317 A P - 0 0 7 0, 0.0 -33,-2.2 0, 0.0 2,-0.4 -0.342 30.8-159.3 -70.8 148.1 9.8 19.7 12.5 290 318 A I E -g 256 0A 0 141,-0.3 34,-2.0 -35,-0.2 33,-1.4 -0.994 7.3-157.8-133.4 135.1 12.5 20.2 9.9 291 319 A I E -gh 257 324A 2 -35,-3.1 -33,-2.3 -2,-0.4 2,-1.0 -0.951 10.3-149.5-113.8 118.0 12.4 19.9 6.1 292 320 A T E +gh 258 325A 3 32,-2.8 34,-0.9 -2,-0.5 -33,-0.2 -0.792 18.2 179.7 -81.7 105.1 15.6 19.3 4.1 293 321 A A + 0 0 8 -35,-3.3 -34,-0.3 -2,-1.0 -1,-0.2 0.470 32.7 132.4 -88.0 -5.2 14.7 21.1 0.9 294 322 A T - 0 0 6 -36,-0.8 2,-0.9 1,-0.1 32,-0.4 -0.181 65.5-120.8 -48.8 131.3 18.0 20.3 -0.8 295 323 A Q + 0 0 82 1,-0.2 3,-0.2 32,-0.1 -1,-0.1 -0.737 45.9 162.8 -75.6 109.8 17.6 19.0 -4.3 296 324 A M + 0 0 7 -2,-0.9 18,-0.2 30,-0.5 -1,-0.2 0.459 65.8 45.3-113.8 -6.3 19.3 15.6 -3.8 297 325 A L > + 0 0 0 1,-0.1 3,-1.2 9,-0.1 4,-0.2 -0.252 62.1 142.9-132.0 47.3 18.1 13.7 -6.9 298 326 A E G > + 0 0 108 1,-0.3 3,-0.9 -3,-0.2 4,-0.2 0.673 67.2 64.8 -66.5 -19.1 18.6 16.2 -9.7 299 327 A S G >> S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 3,-2.2 0.814 83.9 74.6 -71.7 -30.7 19.6 13.5 -12.2 300 328 A M G <4 S+ 0 0 0 -3,-1.2 36,-0.9 1,-0.3 -1,-0.2 0.603 80.7 75.2 -57.1 -13.0 16.1 11.9 -12.0 301 329 A T G <4 S+ 0 0 39 -3,-0.9 34,-3.0 -4,-0.2 -1,-0.3 0.856 121.0 6.4 -64.7 -37.2 15.1 14.9 -14.1 302 330 A K T <4 S+ 0 0 60 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.1 0.467 125.6 67.5-124.6 -10.8 16.7 13.3 -17.2 303 331 A N < - 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