==== 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 OXIDOREDUCTASE 20-APR-04 1T24 . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.CAMERON,J.READ,R.TRANTER,V.J.WINTER,R.B.SESSIONS,R.L.BRADY . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 1 0 1 0 3 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 2 3 0 1 0 0 0 0 0 1 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 1 0 0 0 0 0 0 1 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 18 A A 0 0 142 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 65.8 45.6 43.1 19.2 2 19 A P - 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.793 360.0-118.3 -86.4 161.8 45.8 40.5 20.4 3 20 A K - 0 0 72 -2,-0.1 25,-0.1 1,-0.1 2,-0.1 -0.200 31.4-107.9 -56.8 145.4 44.8 38.3 17.5 4 21 A A - 0 0 18 23,-0.4 25,-2.4 69,-0.0 2,-0.5 -0.416 26.4-134.7 -65.1 151.4 41.7 36.2 18.0 5 22 A K E -a 29 0A 55 66,-0.3 68,-3.1 23,-0.2 69,-1.6 -0.971 20.0-168.0-111.6 123.7 42.3 32.5 18.5 6 23 A I E -ab 30 74A 1 23,-3.0 25,-2.2 -2,-0.5 2,-0.6 -0.955 3.8-160.3-117.0 116.7 40.0 30.3 16.4 7 24 A V E -ab 31 75A 1 67,-2.7 69,-2.4 -2,-0.5 2,-0.9 -0.881 4.3-156.1-104.1 120.3 39.9 26.6 17.2 8 25 A L E -ab 32 76A 0 23,-3.3 25,-2.3 -2,-0.6 2,-1.2 -0.834 6.3-158.7 -93.9 100.6 38.5 24.3 14.5 9 26 A V E S+ab 33 77A 1 67,-2.2 69,-2.4 -2,-0.9 70,-1.6 -0.740 77.6 33.8 -84.9 98.8 37.2 21.2 16.3 10 27 A G - 0 0 3 23,-2.6 24,-0.2 -2,-1.2 23,-0.2 0.191 66.9-159.5 114.1 117.4 37.3 18.8 13.4 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.175 52.4 112.1-120.4 39.0 40.0 19.2 10.7 12 29 A G S > S- 0 0 27 3,-0.0 4,-2.5 4,-0.0 5,-0.2 0.316 89.6 -45.3 -87.7-141.5 38.4 17.3 7.8 13 30 A M H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.928 141.3 38.6 -62.9 -48.8 37.1 18.7 4.5 14 31 A I H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 114.2 55.5 -67.8 -44.4 35.3 21.7 6.0 15 32 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.914 107.0 51.6 -51.4 -45.6 38.1 22.3 8.6 16 33 A G H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.918 111.1 44.3 -60.1 -47.4 40.6 22.5 5.8 17 35 A V H X S+ 0 0 31 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.906 111.9 54.9 -67.8 -38.4 38.8 25.1 3.7 18 36 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.931 107.2 49.3 -60.1 -44.4 38.0 27.1 6.8 19 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.919 111.4 50.4 -60.9 -40.4 41.7 27.3 7.8 20 38 A T H X S+ 0 0 56 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.941 112.9 45.3 -60.5 -48.0 42.5 28.4 4.2 21 39 A L H X S+ 0 0 42 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.862 108.7 56.0 -67.7 -36.3 39.9 31.2 4.3 22 40 A I H <>S+ 0 0 1 -4,-2.7 5,-2.2 -5,-0.2 4,-0.5 0.932 110.2 45.4 -61.9 -43.2 40.9 32.4 7.8 23 41 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.931 110.4 54.3 -65.5 -43.0 44.4 32.9 6.6 24 42 A Q H 3<5S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.881 117.1 37.5 -55.6 -39.7 43.2 34.6 3.4 25 43 A K T 3<5S- 0 0 98 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.404 103.6-131.3 -94.3 1.9 41.2 37.0 5.5 26 44 A N T < 5 + 0 0 80 -3,-1.2 -3,-0.2 -4,-0.5 -4,-0.1 0.862 53.0 152.4 49.2 44.5 43.8 37.3 8.3 27 45 A L < - 0 0 18 -5,-2.2 -23,-0.4 1,-0.2 2,-0.3 0.745 55.7 -59.3 -80.9 -25.8 41.1 36.7 10.8 28 46 A G - 0 0 1 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.922 66.7 -50.7 164.4 173.0 43.1 35.1 13.6 29 47 A D E -a 5 0A 34 -25,-2.4 -23,-3.0 -2,-0.3 2,-0.4 -0.453 56.5-144.1 -67.4 148.8 45.3 32.3 14.7 30 49 A V E -ac 6 60A 1 29,-3.1 31,-2.3 -25,-0.2 2,-0.5 -0.940 17.2-165.8-125.9 134.2 44.0 28.9 13.9 31 50 A V E -ac 7 61A 10 -25,-2.2 -23,-3.3 -2,-0.4 2,-1.0 -0.987 10.0-156.8-113.9 120.4 44.1 25.5 15.6 32 51 A L E -ac 8 62A 0 29,-3.3 31,-2.2 -2,-0.5 2,-0.4 -0.860 22.5-175.5 -92.4 98.4 43.2 22.5 13.5 33 52 A F E +ac 9 63A 9 -25,-2.3 -23,-2.6 -2,-1.0 2,-0.3 -0.768 13.4 147.7 -98.4 137.1 42.1 20.0 16.1 34 53 A D - 0 0 24 29,-2.2 -2,-0.0 -2,-0.4 -25,-0.0 -0.973 52.4-124.3-156.0 165.4 41.2 16.4 15.3 35 54 A I S S+ 0 0 131 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.702 86.1 96.4 -83.1 -23.8 41.3 12.9 16.8 36 55 A V S S- 0 0 72 1,-0.1 2,-0.1 -3,-0.1 -2,-0.1 -0.480 79.9-121.6 -69.1 131.8 43.2 11.7 13.8 37 56 A K S S- 0 0 148 -2,-0.2 2,-2.3 1,-0.2 -1,-0.1 -0.478 80.1 -5.2 -74.0 146.9 47.0 11.6 14.3 38 57 A N S > S+ 0 0 127 1,-0.2 4,-1.9 -2,-0.1 3,-0.4 -0.196 107.1 92.2 71.7 -44.2 49.4 13.5 12.0 39 58 A M H > S+ 0 0 58 -2,-2.3 4,-2.4 1,-0.2 5,-0.2 0.886 85.0 47.6 -51.2 -52.3 46.7 14.8 9.6 40 59 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.873 110.2 54.1 -62.0 -34.6 45.9 18.1 11.2 41 60 A H H > S+ 0 0 85 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.887 109.5 47.9 -65.5 -37.6 49.6 18.9 11.6 42 61 A G H X S+ 0 0 44 -4,-1.9 4,-2.6 -3,-0.2 5,-0.2 0.935 113.7 45.5 -68.7 -46.0 50.1 18.4 7.9 43 62 A K H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.905 113.4 51.6 -61.7 -41.8 47.2 20.5 6.9 44 63 A A H X S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.922 111.2 46.8 -60.2 -47.4 48.3 23.2 9.3 45 64 A L H X S+ 0 0 106 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.966 113.8 47.5 -60.9 -52.5 51.8 23.2 7.9 46 65 A D H >< S+ 0 0 116 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.928 115.9 45.2 -50.7 -52.0 50.6 23.4 4.3 47 66 A T H >< S+ 0 0 12 -4,-2.7 3,-1.5 1,-0.2 4,-0.2 0.865 102.0 66.0 -65.6 -35.2 48.2 26.2 5.2 48 67 A S H >< S+ 0 0 31 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.824 91.5 62.7 -59.2 -32.5 50.6 28.2 7.2 49 68 A H T XX S+ 0 0 103 -4,-1.2 3,-1.7 -3,-0.6 4,-0.6 0.763 86.8 74.1 -65.9 -23.9 52.8 28.9 4.1 50 69 A T H <> S+ 0 0 30 -3,-1.5 4,-2.5 -4,-0.5 -1,-0.3 0.615 72.9 83.2 -68.3 -10.7 49.9 30.8 2.6 51 70 A N H <>>S+ 0 0 26 -3,-1.6 5,-2.1 -4,-0.2 4,-0.8 0.865 90.4 52.1 -55.2 -36.2 50.5 33.7 5.0 52 71 A V H X45S+ 0 0 122 -3,-1.7 3,-0.8 -4,-0.2 -1,-0.2 0.967 113.4 40.3 -65.2 -52.8 53.2 34.8 2.5 53 72 A M H 3<5S+ 0 0 127 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.787 119.8 47.6 -64.2 -30.5 50.9 34.8 -0.5 54 73AA A H 3<5S- 0 0 17 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.500 103.3-125.7 -92.0 -6.8 48.0 36.3 1.5 55 73BA Y T <<5 + 0 0 219 -3,-0.8 2,-0.2 -4,-0.8 -3,-0.2 0.848 67.8 134.6 60.1 37.4 50.0 39.1 3.2 56 74 A S < - 0 0 19 -5,-2.1 -1,-0.2 -6,-0.2 -33,-0.1 -0.565 54.6-151.2-113.5 174.8 48.7 37.7 6.5 57 75 A N + 0 0 112 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.433 43.0 136.7-145.8 61.9 50.1 36.8 9.9 58 76 A C - 0 0 3 -10,-0.1 -29,-0.1 -30,-0.1 -7,-0.1 -0.959 47.6-133.6-114.6 123.9 48.0 33.9 11.3 59 77 A K - 0 0 138 -2,-0.5 -29,-3.1 -8,-0.0 2,-0.4 -0.488 19.0-163.8 -67.7 143.6 49.6 31.0 13.1 60 78 A V E +c 30 0A 16 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.965 15.9 169.8-131.3 114.9 48.2 27.7 11.9 61 79 A S E -c 31 0A 55 -31,-2.3 -29,-3.3 -2,-0.4 2,-0.3 -0.927 26.7-132.7-127.2 149.8 48.9 24.7 14.2 62 80 A G E -c 32 0A 15 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.666 27.2-174.0 -94.8 155.8 47.6 21.1 14.3 63 81 A S E +c 33 0A 2 -31,-2.2 -29,-2.2 -2,-0.3 3,-0.0 -0.994 37.4 177.8-153.6 145.0 46.4 19.5 17.5 64 83 A N + 0 0 57 -2,-0.3 2,-0.6 -31,-0.2 -31,-0.1 0.083 69.3 97.6-119.0 13.1 45.2 16.2 19.1 65 84 A T > - 0 0 72 1,-0.1 3,-2.2 2,-0.0 4,-0.1 -0.913 60.8-156.1-115.3 114.2 44.9 17.8 22.5 66 85 A Y G > S+ 0 0 34 -2,-0.6 3,-2.1 1,-0.3 4,-0.1 0.795 89.4 71.0 -55.3 -33.9 41.6 19.1 23.8 67 86 A D G > S+ 0 0 99 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.625 75.6 82.9 -62.5 -12.7 43.2 21.5 26.2 68 87 A D G < S+ 0 0 62 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.615 73.6 78.0 -66.2 -7.8 44.2 23.6 23.1 69 88 A L G X + 0 0 3 -3,-2.1 3,-2.4 -4,-0.1 -1,-0.3 0.743 68.5 107.1 -66.9 -24.7 40.7 25.0 23.4 70 89 A A T < S+ 0 0 44 -3,-1.9 46,-0.2 1,-0.3 45,-0.1 -0.344 84.8 19.7 -57.5 135.0 41.9 27.1 26.3 71 90 A G T 3 S+ 0 0 55 44,-0.7 -66,-0.3 1,-0.3 -1,-0.3 0.387 88.4 152.3 86.7 -5.1 42.1 30.7 25.1 72 91 A A < - 0 0 8 -3,-2.4 -1,-0.3 1,-0.2 -66,-0.2 -0.349 27.8-175.7 -62.1 136.3 39.7 30.1 22.2 73 92 A D S S+ 0 0 71 -68,-3.1 47,-2.3 1,-0.4 2,-0.4 0.765 79.4 19.9 -95.3 -35.9 37.7 33.2 21.1 74 93 A V E -bd 6 120A 0 -69,-1.6 -67,-2.7 45,-0.2 2,-0.4 -0.995 67.4-164.9-135.9 134.3 35.7 31.2 18.5 75 94 A V E -bd 7 121A 0 45,-2.6 47,-2.7 -2,-0.4 2,-0.6 -0.993 3.9-166.3-121.5 123.8 35.2 27.5 18.4 76 95 A I E -bd 8 122A 0 -69,-2.4 -67,-2.2 -2,-0.4 2,-0.7 -0.948 8.6-154.8-115.0 118.6 33.8 25.9 15.2 77 96 A V E +bd 9 123A 0 45,-3.1 47,-2.9 -2,-0.6 48,-1.5 -0.836 38.2 141.2-103.6 110.5 32.6 22.3 15.6 78 97 A T + 0 0 24 -69,-2.4 -68,-0.2 -2,-0.7 -1,-0.1 0.293 32.5 135.6-117.0 -2.4 32.6 20.1 12.4 79 98 A A + 0 0 18 -70,-1.6 2,-0.3 -3,-0.1 -69,-0.1 -0.244 42.5 55.6 -52.7 134.1 33.8 17.0 14.2 80 99 A G S S- 0 0 37 45,-0.1 2,-0.2 24,-0.1 21,-0.1 -0.869 83.6 -42.1 138.7-173.4 31.8 13.9 13.2 81 100 A F - 0 0 103 -2,-0.3 45,-0.3 16,-0.2 3,-0.1 -0.619 24.6-160.6 -95.2 151.3 30.7 11.6 10.4 82 101 A T S S+ 0 0 68 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.579 78.4 19.0-101.9 -18.9 29.4 12.6 7.0 83 102 A K S S- 0 0 125 13,-0.1 -1,-0.2 9,-0.1 6,-0.1 -0.972 77.8-113.2-148.1 157.6 27.6 9.4 6.1 84 103AA A > - 0 0 15 -2,-0.3 3,-1.8 4,-0.1 13,-0.1 -0.765 41.8-102.0 -93.7 139.3 26.3 6.4 7.9 85 103BA P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.318 106.2 22.5 -57.7 138.1 28.0 3.0 7.3 86 103CA G T 3 S+ 0 0 86 1,-0.3 2,-0.3 -3,-0.0 -2,-0.0 0.180 93.6 118.3 90.5 -16.5 26.0 0.8 4.9 87 103DA K < - 0 0 98 -3,-1.8 -1,-0.3 2,-0.0 2,-0.1 -0.634 60.2-132.0 -85.7 141.3 24.1 3.6 3.3 88 103EA S > - 0 0 42 -2,-0.3 3,-1.0 1,-0.1 -4,-0.1 -0.481 26.9-109.4 -80.6 162.3 24.5 4.2 -0.4 89 105AA D G > S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 140,-0.1 0.855 121.2 60.2 -58.1 -35.5 25.1 7.7 -1.7 90 105BA K G 3 S+ 0 0 133 1,-0.3 -1,-0.3 139,-0.1 139,-0.1 0.799 106.0 46.1 -63.8 -28.5 21.6 7.6 -3.1 91 106 A E G < S+ 0 0 108 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.2 0.195 79.5 144.3 -98.4 11.1 20.2 7.1 0.4 92 107 A W < + 0 0 26 -3,-1.5 2,-0.3 133,-0.1 -9,-0.1 -0.308 18.9 165.7 -54.8 129.1 22.3 9.8 2.0 93 108 A N > - 0 0 43 1,-0.1 3,-1.6 132,-0.0 4,-0.3 -0.953 40.6-138.4-150.9 127.2 20.2 11.5 4.7 94 109 A R G > S+ 0 0 11 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.804 99.9 68.8 -53.7 -33.6 21.4 13.8 7.5 95 110 A D G > S+ 0 0 43 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.805 89.0 64.0 -56.6 -32.3 19.1 12.1 10.0 96 111 A D G < S+ 0 0 59 -3,-1.6 -1,-0.3 1,-0.3 4,-0.2 0.594 90.3 66.8 -72.8 -10.3 21.2 8.9 9.9 97 112 A L G X> S+ 0 0 3 -3,-1.8 4,-2.3 -4,-0.3 3,-0.7 0.626 77.0 91.5 -81.9 -11.0 24.2 10.8 11.3 98 113 A L H <> S+ 0 0 9 -3,-1.5 4,-1.8 -4,-0.3 -1,-0.2 0.892 87.1 40.9 -52.4 -56.0 22.3 11.3 14.7 99 114 A P H 34 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.699 117.1 51.6 -69.3 -17.7 23.6 8.1 16.5 100 115 A L H <4 S+ 0 0 43 -3,-0.7 4,-0.3 -4,-0.2 -2,-0.2 0.826 118.6 32.0 -85.9 -34.2 27.1 8.6 15.1 101 116 A N H X S+ 0 0 0 -4,-2.3 4,-1.9 -3,-0.2 5,-0.2 0.623 94.4 83.0-104.0 -17.3 27.5 12.2 16.2 102 117 A N H X S+ 0 0 41 -4,-1.8 4,-1.7 -5,-0.3 3,-0.2 0.925 94.5 46.6 -57.0 -48.5 25.6 12.7 19.4 103 118 A K H > S+ 0 0 126 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.852 108.7 57.3 -62.8 -34.4 28.3 11.3 21.7 104 119 A I H > S+ 0 0 24 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.888 106.2 49.1 -63.5 -41.8 30.9 13.4 19.9 105 120 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.885 110.1 50.8 -64.9 -41.2 29.0 16.6 20.7 106 121 A I H X S+ 0 0 66 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.957 111.8 47.6 -62.6 -47.3 28.6 15.7 24.4 107 122 A E H X S+ 0 0 104 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.917 113.3 46.9 -59.3 -47.3 32.3 15.1 24.7 108 123 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.911 107.2 59.2 -64.4 -39.1 33.3 18.3 22.9 109 124 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.910 103.0 51.1 -54.9 -46.6 30.8 20.2 25.1 110 125 A G H X S+ 0 0 35 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.899 110.7 48.9 -58.1 -41.1 32.5 19.2 28.3 111 126 A H H X S+ 0 0 40 -4,-1.4 4,-2.6 2,-0.2 5,-0.3 0.878 111.1 49.7 -68.0 -37.7 35.9 20.3 27.0 112 127 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.932 109.6 52.0 -64.1 -44.7 34.4 23.7 25.9 113 128 A K H < S+ 0 0 131 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.901 116.4 39.5 -60.4 -41.3 32.9 24.1 29.4 114 129 A K H < S+ 0 0 143 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.917 128.1 28.2 -73.0 -45.4 36.2 23.5 31.1 115 130 A N H < S+ 0 0 32 -4,-2.6 -44,-0.7 1,-0.2 -3,-0.2 0.802 133.2 10.8 -94.2 -35.6 38.5 25.3 28.7 116 131 A C >< + 0 0 7 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 -0.370 58.4 157.1-147.8 61.9 36.7 28.2 27.0 117 132AA P T 3 S+ 0 0 54 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.709 80.3 54.7 -63.5 -17.3 33.3 28.9 28.5 118 132BA N T 3 S+ 0 0 131 -46,-0.1 2,-0.1 -6,-0.1 -5,-0.1 0.329 85.1 112.6 -97.8 4.9 33.4 32.5 27.1 119 133 A A S < S- 0 0 0 -3,-2.0 2,-0.5 -7,-0.2 -45,-0.2 -0.365 71.7-117.0 -77.1 155.5 34.1 31.4 23.5 120 134 A F E -d 74 0A 0 -47,-2.3 -45,-2.6 -2,-0.1 2,-0.5 -0.838 35.8-149.9 -91.2 130.8 31.6 32.0 20.7 121 135 A I E -de 75 146A 0 24,-3.0 26,-2.3 -2,-0.5 2,-0.5 -0.896 18.2-172.1-114.7 130.7 30.5 28.6 19.3 122 136 A I E -de 76 147A 0 -47,-2.7 -45,-3.1 -2,-0.5 2,-0.4 -0.982 13.2-157.3-118.9 120.4 29.4 27.6 15.8 123 137 A V E +de 77 148A 0 24,-2.7 26,-2.5 -2,-0.5 137,-0.2 -0.852 25.3 158.4-102.2 133.3 28.1 24.1 15.4 124 138 A V + 0 0 16 -47,-2.9 4,-0.3 -2,-0.4 -46,-0.2 0.685 36.2 112.3-120.6 -40.4 28.2 22.4 12.0 125 139 A T S S- 0 0 7 -48,-1.5 6,-0.2 2,-0.1 7,-0.1 -0.039 71.5 -74.0 -41.1 134.4 28.0 18.7 12.7 126 140 A N S S+ 0 0 28 -45,-0.3 -45,-0.2 1,-0.2 -25,-0.1 -0.502 116.5 37.7 -94.0 157.1 24.8 17.1 11.5 127 141 A P S >> S- 0 0 5 0, 0.0 4,-2.6 0, 0.0 3,-1.2 0.280 85.1-172.7 -74.6 119.0 21.9 16.8 12.2 128 142 A V H 3> S+ 0 0 1 1,-0.3 4,-2.7 -4,-0.3 5,-0.2 0.758 72.3 53.1 -61.8 -37.6 22.8 20.4 13.0 129 143 A D H 3> S+ 0 0 8 52,-0.3 4,-0.6 1,-0.2 144,-0.4 0.785 117.4 41.2 -70.8 -23.7 19.7 21.7 14.6 130 144 A V H <> S+ 0 0 6 -3,-1.2 4,-2.0 2,-0.1 -2,-0.2 0.891 115.7 49.5 -82.3 -47.2 19.8 18.8 17.1 131 145 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 -6,-0.2 5,-0.2 0.854 105.4 57.0 -63.3 -35.7 23.5 18.9 17.6 132 146 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.901 109.5 44.3 -65.4 -39.8 23.7 22.6 18.3 133 147 A Q H X S+ 0 0 14 -4,-0.6 4,-2.7 -5,-0.2 -1,-0.2 0.878 111.7 54.0 -71.2 -36.9 21.2 22.3 21.2 134 148 A L H X S+ 0 0 32 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.941 110.9 45.9 -59.5 -46.8 23.0 19.2 22.5 135 149 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 6,-0.3 0.873 110.3 54.5 -66.2 -36.5 26.3 21.2 22.5 136 150 A H H X S+ 0 0 26 -4,-2.0 4,-1.6 -5,-0.2 5,-0.3 0.957 109.4 47.7 -60.3 -48.5 24.5 24.2 24.1 137 151 A Q H < S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.921 118.7 38.9 -60.7 -43.3 23.3 21.9 26.9 138 152 A H H < S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.754 116.1 48.6 -85.2 -22.2 26.7 20.3 27.6 139 153 A S H < S- 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.692 91.2-144.2 -87.7 -21.7 29.0 23.4 27.1 140 154 A G < + 0 0 51 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.552 44.2 150.9 70.5 9.0 26.9 25.6 29.4 141 155 A V - 0 0 5 -6,-0.3 -1,-0.2 -5,-0.3 -23,-0.1 -0.300 53.7 -89.6 -72.6 156.6 27.5 28.7 27.2 142 156 A P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.284 34.3-113.4 -61.8 152.8 24.9 31.5 27.1 143 157 A K G > S+ 0 0 102 1,-0.3 3,-0.7 2,-0.2 119,-0.4 0.744 117.4 57.1 -59.9 -27.2 22.2 31.3 24.4 144 158 A N G 3 S+ 0 0 58 1,-0.2 141,-2.9 117,-0.1 -1,-0.3 0.454 101.4 60.3 -83.7 0.9 23.7 34.3 22.7 145 159 A K G < S+ 0 0 30 -3,-2.2 -24,-3.0 139,-0.2 2,-0.3 0.252 96.5 57.9-114.1 14.2 27.0 32.6 22.3 146 160 A I E < +e 121 0A 0 -3,-0.7 116,-0.3 -26,-0.2 2,-0.3 -0.983 53.1 163.8-147.4 130.8 26.2 29.5 20.2 147 161 A I E -e 122 0A 0 -26,-2.3 -24,-2.7 -2,-0.3 2,-0.4 -0.919 26.3-129.1-137.5 164.4 24.6 29.1 16.8 148 162 A G E -eF 123 260A 0 112,-1.7 112,-2.4 -2,-0.3 2,-0.3 -0.902 25.1-113.7-115.9 146.8 24.3 26.4 14.1 149 163 A L + 0 0 8 -26,-2.5 110,-0.1 -2,-0.4 32,-0.1 -0.612 69.7 98.3 -75.5 134.4 25.1 26.6 10.5 150 164 A G >> + 0 0 4 108,-0.5 4,-2.7 -2,-0.3 3,-0.6 -0.159 67.7 49.6-168.1 -77.6 22.2 26.2 8.1 151 165 A G H 3> S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.773 105.4 56.0 -55.5 -39.4 20.5 29.2 6.5 152 166 A V H 3> S+ 0 0 9 106,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.931 115.7 40.8 -60.3 -42.0 23.5 31.1 5.2 153 167 A L H <> S+ 0 0 5 -3,-0.6 4,-1.2 105,-0.2 -2,-0.2 0.929 116.2 47.5 -71.6 -49.1 24.5 27.9 3.3 154 168 A D H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 3,-0.3 0.922 115.6 44.8 -61.1 -44.3 21.0 27.0 2.1 155 169 A T H X S+ 0 0 2 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.797 101.6 67.0 -71.4 -28.8 20.2 30.5 0.9 156 170 A S H X S+ 0 0 45 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.912 106.1 44.5 -54.6 -40.0 23.6 30.9 -0.8 157 171 A R H X S+ 0 0 18 -4,-1.2 4,-2.9 -3,-0.3 5,-0.3 0.958 115.0 45.0 -68.8 -52.9 22.3 28.2 -3.1 158 172 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.933 116.1 47.6 -56.3 -49.6 18.8 29.6 -3.6 159 173 A K H X S+ 0 0 46 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.935 114.0 47.6 -57.5 -47.0 20.3 33.1 -4.1 160 174 A Y H X S+ 0 0 109 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.952 110.0 50.3 -62.6 -52.4 22.9 31.8 -6.6 161 175 A Y H X S+ 0 0 32 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.894 113.4 46.8 -54.9 -41.6 20.5 29.8 -8.7 162 176 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 3,-0.3 0.922 109.2 54.0 -67.4 -42.0 18.2 32.7 -9.1 163 177 A S H X>S+ 0 0 4 -4,-2.4 5,-1.4 1,-0.2 4,-1.3 0.836 103.8 57.1 -61.0 -32.9 21.1 35.1 -9.9 164 178 A Q H <5S+ 0 0 103 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.878 110.7 42.6 -65.9 -39.1 22.1 32.7 -12.7 165 179 A K H <5S+ 0 0 94 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.905 120.0 41.9 -71.7 -41.1 18.7 33.0 -14.4 166 180 A L H <5S- 0 0 25 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.532 101.9-129.8 -87.3 -8.1 18.3 36.7 -13.9 167 181 A N T <5 + 0 0 149 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.925 62.4 128.2 58.0 47.8 21.9 37.6 -14.8 168 182 A V S - 0 0 67 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.374 43.9-131.6 -55.3 124.7 25.2 39.8 -9.0 170 184 A P G > S+ 0 0 58 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.881 105.7 57.6 -52.8 -39.5 24.5 36.8 -6.7 171 185 A R G 3 S+ 0 0 159 1,-0.3 -2,-0.1 -8,-0.0 -11,-0.0 0.686 94.1 68.5 -63.2 -22.1 24.7 39.0 -3.6 172 186 A D G < S+ 0 0 86 -3,-1.7 23,-3.2 23,-0.1 24,-0.5 0.576 84.7 82.4 -75.0 -10.1 22.0 41.1 -5.0 173 187 A V E < -J 194 0B 1 -3,-2.0 2,-0.4 -4,-0.3 21,-0.2 -0.852 65.4-169.5 -92.0 130.6 19.5 38.2 -4.5 174 188 A N E +J 193 0B 80 19,-2.5 19,-2.2 -2,-0.5 2,-0.3 -0.934 13.2 159.7-120.3 144.8 18.2 38.0 -1.0 175 189 A A - 0 0 1 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.989 28.5-133.6-161.7 154.6 16.2 35.0 0.3 176 190 A H + 0 0 34 12,-0.4 12,-2.2 -2,-0.3 2,-0.4 -0.978 16.3 175.9-124.1 129.3 15.2 33.3 3.6 177 191 A I E +L 187 0C 2 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.998 25.0 166.0-130.0 124.0 15.2 29.6 4.4 178 192 A V E +L 186 0C 3 8,-1.8 8,-2.3 -2,-0.4 2,-1.4 -0.688 32.5 50.3-134.8 176.7 14.2 28.8 7.9 179 193 A G B S-G 275 0A 0 96,-2.5 96,-1.4 -2,-0.2 2,-0.3 -0.599 106.2 -6.3 95.2 -80.6 13.1 26.2 10.4 180 194 A A - 0 0 13 -2,-1.4 2,-1.1 94,-0.2 6,-0.2 -0.986 61.7-116.0-150.6 154.2 15.7 23.4 10.1 181 195 A H S S+ 0 0 20 -2,-0.3 2,-0.3 -32,-0.1 -52,-0.3 -0.807 84.2 69.2 -93.6 92.9 18.7 22.5 7.9 182 196 A G S > S- 0 0 12 -2,-1.1 3,-2.3 -55,-0.1 -2,-0.1 -0.950 106.3 -49.2 179.0-171.0 17.4 19.3 6.3 183 197 A N T 3 S+ 0 0 87 1,-0.3 38,-0.1 -2,-0.3 121,-0.1 0.657 130.3 54.7 -59.6 -18.0 14.8 18.0 3.8 184 198 A K T 3 S+ 0 0 94 120,-0.1 -1,-0.3 119,-0.1 120,-0.2 0.175 74.9 145.0 -99.8 16.8 12.0 20.0 5.5 185 199 A M < - 0 0 11 -3,-2.3 2,-0.8 -6,-0.1 -6,-0.2 -0.257 52.4-122.3 -52.9 141.0 13.9 23.4 5.2 186 200 A V E -L 178 0C 9 -8,-2.3 -8,-1.8 -6,-0.2 2,-0.8 -0.813 20.3-161.1 -98.6 111.4 11.3 26.1 4.6 187 201 A L E -L 177 0C 27 -2,-0.8 2,-1.2 -10,-0.2 -10,-0.2 -0.819 11.7-150.2 -93.4 108.7 11.9 28.1 1.4 188 202 A L > - 0 0 4 -12,-2.2 3,-1.5 -2,-0.8 -12,-0.4 -0.663 14.9-175.8 -88.9 91.3 10.0 31.4 1.8 189 203 A K G > S+ 0 0 87 -2,-1.2 3,-1.3 1,-0.3 10,-0.2 0.859 82.1 59.0 -50.6 -41.0 8.9 32.5 -1.6 190 204 A R G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 10,-0.1 0.713 100.4 57.1 -64.2 -23.0 7.4 35.7 -0.3 191 205 A Y G < S+ 0 0 48 -3,-1.5 2,-0.5 -15,-0.2 -1,-0.3 -0.004 79.4 111.9-102.5 27.3 10.8 36.8 1.2 192 206 A I < + 0 0 2 -3,-1.3 7,-2.3 -17,-0.2 8,-0.3 -0.886 40.1 173.2-100.9 134.4 12.8 36.7 -2.0 193 207 A T E -JK 174 198B 39 -19,-2.2 -19,-2.5 -2,-0.5 2,-0.4 -0.930 24.1-151.1-134.5 159.3 14.1 40.0 -3.4 194 208 A V E > S-JK 173 197B 5 3,-2.5 3,-1.8 -2,-0.3 -21,-0.2 -0.979 90.1 -13.9-132.1 115.1 16.4 41.0 -6.3 195 209AA G T 3 S- 0 0 52 -23,-3.2 -22,-0.1 -2,-0.4 -1,-0.1 0.859 131.0 -56.1 56.9 32.9 18.2 44.2 -5.8 196 209BA G T 3 S+ 0 0 63 -24,-0.5 -1,-0.3 1,-0.3 -23,-0.1 0.421 114.7 120.5 81.7 0.6 15.8 44.8 -2.9 197 209CA I E < S-K 194 0B 67 -3,-1.8 -3,-2.5 1,-0.1 -1,-0.3 -0.743 75.4 -98.0 -98.1 140.4 12.8 44.4 -5.3 198 209DA P E >> -K 193 0B 67 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.313 25.5-132.0 -58.7 134.7 10.2 41.7 -4.7 199 210AA L H >> S+ 0 0 5 -7,-2.3 4,-1.9 1,-0.3 3,-0.8 0.826 103.2 74.1 -55.8 -31.2 10.9 38.7 -6.8 200 210BA Q H 3> S+ 0 0 90 -8,-0.3 4,-2.9 1,-0.3 -1,-0.3 0.815 88.3 60.0 -55.0 -29.5 7.2 38.8 -7.8 201 211 A E H <> S+ 0 0 101 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.921 106.3 45.9 -64.6 -40.8 8.0 41.8 -10.0 202 212 A F H <<>S+ 0 0 35 -3,-0.8 5,-2.6 -4,-0.6 6,-1.0 0.821 112.6 51.1 -70.3 -32.1 10.4 39.7 -12.0 203 213 A I H ><5S+ 0 0 15 -4,-1.9 3,-1.8 3,-0.2 -2,-0.2 0.926 108.2 51.7 -68.6 -45.5 7.8 36.9 -12.2 204 214 A N H 3<5S+ 0 0 113 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.865 109.5 50.9 -55.4 -39.5 5.1 39.4 -13.4 205 215 A N T 3<5S- 0 0 114 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.332 113.8-119.4 -81.7 4.6 7.6 40.6 -16.1 206 216 A K T < 5S+ 0 0 191 -3,-1.8 -3,-0.2 2,-0.2 3,-0.2 0.779 78.3 125.9 58.7 31.1 8.2 36.9 -17.2 207 218 A L S - 0 0 45 -2,-0.3 4,-2.2 -3,-0.2 5,-0.2 -0.547 23.2-114.3 -96.8 165.2 8.5 31.9 -13.9 210 221 A D H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 119.6 51.8 -57.4 -40.1 6.7 30.3 -10.9 211 222 A A H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 107.9 50.9 -66.5 -42.3 7.6 26.9 -12.4 212 223 A E H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 110.3 50.4 -59.4 -41.2 11.2 27.9 -12.8 213 225 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.918 107.0 53.9 -65.8 -41.8 11.3 29.0 -9.1 214 226 A E H X S+ 0 0 131 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.900 109.0 48.6 -57.6 -42.1 9.7 25.7 -8.0 215 227 A A H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.889 110.7 51.2 -66.8 -38.6 12.5 23.8 -9.8 216 228 A I H X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.879 108.3 52.4 -65.7 -37.6 15.1 26.0 -8.1 217 229 A F H X S+ 0 0 33 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.958 111.3 46.0 -61.4 -49.0 13.5 25.3 -4.7 218 230 A D H X S+ 0 0 93 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.915 112.4 51.3 -60.9 -41.1 13.7 21.6 -5.3 219 231 A R H < S+ 0 0 108 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.903 109.8 50.6 -62.6 -41.1 17.3 22.0 -6.5 220 232 A T H >< S+ 0 0 0 -4,-2.4 3,-1.2 2,-0.2 4,-0.4 0.940 110.6 47.1 -62.2 -50.6 18.2 23.9 -3.4 221 233 A V H 3< S+ 0 0 26 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.921 119.0 41.9 -59.1 -40.6 16.7 21.4 -1.0 222 234 A N T 3X S+ 0 0 69 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.353 83.4 103.6 -91.4 8.3 18.5 18.6 -2.9 223 235 A T H <> S+ 0 0 3 -3,-1.2 4,-2.7 -4,-0.3 5,-0.2 0.902 80.0 48.7 -59.9 -47.7 21.8 20.3 -3.4 224 236 A A H > S+ 0 0 4 -3,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.948 113.9 47.6 -55.6 -49.6 23.7 18.4 -0.7 225 237 A L H > S+ 0 0 50 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.912 110.6 52.3 -59.5 -43.8 22.4 15.1 -2.0 226 238 A E H X S+ 0 0 71 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.948 112.9 43.7 -57.1 -50.3 23.3 16.1 -5.6 227 239 A I H X>S+ 0 0 53 -4,-2.7 4,-2.4 1,-0.2 5,-1.1 0.874 109.6 56.9 -67.0 -35.2 26.9 16.9 -4.6 228 240 A V H <5S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.897 110.0 45.6 -60.5 -40.0 27.2 13.8 -2.4 229 241 A N H <5S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 117.7 42.3 -77.2 -26.9 26.3 11.7 -5.4 230 242 A L H <5S- 0 0 138 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.769 140.9 -30.7 -84.4 -28.4 28.7 13.5 -7.8 231 243 A H T <5S- 0 0 126 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.353 99.4 -42.6-154.8 -72.2 31.6 13.8 -5.4 232 244 A A S + 0 0 50 -222,-0.1 4,-1.9 -3,-0.1 5,-0.1 0.578 56.5 65.9-140.5 -26.1 32.6 21.4 2.1 236 248 A V H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.981 109.8 37.1 -71.0 -53.9 33.7 24.5 0.1 237 249 A A H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.899 115.7 54.3 -66.4 -43.2 30.4 26.5 0.5 238 250 A P H > S+ 0 0 6 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.964 110.0 48.7 -50.5 -51.4 29.8 25.3 4.1 239 251 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.921 112.0 47.6 -54.2 -48.8 33.2 26.6 5.0 240 252 A A H X S+ 0 0 48 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.902 111.8 50.6 -62.0 -41.3 32.6 29.9 3.3 241 253 A A H X S+ 0 0 6 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.931 111.1 48.5 -61.4 -47.4 29.2 30.2 5.1 242 254 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.916 110.8 49.9 -58.2 -46.9 30.8 29.5 8.4 243 255 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.861 106.2 56.2 -65.6 -32.9 33.6 32.0 8.0 244 256 A E H X S+ 0 0 34 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.940 111.9 44.3 -61.1 -41.2 31.0 34.7 7.0 245 257 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.950 114.9 46.7 -65.5 -50.6 29.3 34.0 10.3 246 258 A A H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.886 111.1 52.6 -61.0 -42.1 32.5 33.9 12.3 247 259 A E H X S+ 0 0 23 -4,-2.9 4,-2.5 1,-0.2 6,-0.3 0.860 103.8 56.3 -62.6 -38.8 33.8 37.1 10.7 248 260 A S H <>S+ 0 0 0 -4,-1.7 5,-1.9 -5,-0.2 6,-0.6 0.905 112.5 42.9 -61.4 -41.1 30.6 39.0 11.6 249 261 A Y H ><5S+ 0 0 36 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.959 115.4 48.0 -63.1 -54.3 31.2 38.1 15.2 250 262 A L H 3<5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.842 121.7 33.7 -60.2 -38.2 34.9 38.8 15.2 251 263 A K T 3<5S- 0 0 107 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.256 105.4-120.8-103.4 8.1 34.7 42.2 13.4 252 264 A D T < 5 + 0 0 69 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.908 55.3 156.2 53.0 48.7 31.4 43.3 14.9 253 265 A L < - 0 0 76 -5,-1.9 28,-0.2 -6,-0.3 -4,-0.1 0.724 40.2-144.8 -76.5 -23.0 29.8 43.6 11.5 254 266 A K + 0 0 93 26,-1.1 27,-0.2 -6,-0.6 2,-0.1 0.823 33.2 174.2 58.9 33.5 26.2 43.1 12.7 255 267 A K E - H 0 280A 57 25,-0.8 25,-2.2 -10,-0.1 2,-0.6 -0.425 35.6-123.0 -67.9 146.5 25.2 41.2 9.6 256 268 A V E + H 0 279A 82 23,-0.2 2,-0.4 -2,-0.1 23,-0.2 -0.838 45.3 164.9 -89.5 117.7 21.8 39.6 9.4 257 269 A L E - H 0 278A 12 21,-2.7 21,-2.2 -2,-0.6 2,-0.6 -0.997 39.4-118.5-140.5 137.6 22.4 35.9 8.8 258 270 A I E + H 0 277A 11 -2,-0.4 -106,-1.3 19,-0.3 -108,-0.5 -0.707 49.4 151.8 -84.9 120.7 20.1 32.9 9.1 259 271 A C E - H 0 276A 0 17,-2.0 17,-2.1 -2,-0.6 2,-0.5 -0.915 51.4 -91.7-142.7 163.1 21.4 30.5 11.7 260 272 A S E +FH 148 275A 1 -112,-2.4 -112,-1.7 -2,-0.3 2,-0.3 -0.695 57.0 160.9 -82.4 125.6 20.1 27.9 14.1 261 273 A T E - H 0 274A 4 13,-2.3 13,-2.1 -2,-0.5 2,-0.3 -0.945 46.4 -78.9-145.8 160.0 19.5 29.6 17.5 262 274 A L E - H 0 273A 25 -119,-0.4 2,-0.3 -116,-0.3 11,-0.2 -0.468 43.6-147.0 -66.2 122.5 17.5 29.0 20.7 263 275 A L E + H 0 272A 0 9,-2.7 8,-1.0 -2,-0.3 9,-0.6 -0.736 19.6 179.1 -90.5 139.3 13.9 29.9 20.2 264 276 A E E S- H 0 270A 103 -2,-0.3 6,-0.3 6,-0.2 -1,-0.1 -0.237 81.3 -36.4-132.0 39.8 12.0 31.4 23.3 265 277 A G S > S+ 0 0 39 4,-2.8 3,-2.0 1,-0.4 5,-0.2 0.133 94.3 135.7 126.3 -21.2 8.6 31.9 21.8 266 278 A Q G > S+ 0 0 30 3,-0.3 3,-2.2 1,-0.3 -1,-0.4 -0.334 84.0 4.9 -58.8 137.1 9.3 33.0 18.3 267 279 A Y G 3 S- 0 0 14 1,-0.3 -1,-0.3 24,-0.1 3,-0.1 0.628 131.8 -68.2 62.5 14.1 7.0 31.3 15.7 268 280 A G G < S+ 0 0 71 -3,-2.0 2,-0.4 1,-0.2 -1,-0.3 0.581 108.5 120.7 81.8 9.2 5.2 29.8 18.7 269 281 A H < + 0 0 25 -3,-2.2 -4,-2.8 3,-0.0 2,-0.3 -0.909 31.7 166.2-114.9 137.9 8.3 27.6 19.6 270 282 A S E + H 0 264A 54 -2,-0.4 -6,-0.2 -6,-0.3 3,-0.1 -0.890 57.7 33.9-135.8 164.7 10.4 27.4 22.8 271 283 A D E S+ 0 0 125 -8,-1.0 2,-0.3 -2,-0.3 -7,-0.1 0.713 102.0 81.4 66.8 24.3 13.0 25.0 24.2 272 285 A I E S- H 0 263A 1 -9,-0.6 -9,-2.7 -3,-0.1 2,-0.4 -0.972 76.0-117.2-153.6 156.4 14.4 24.1 20.8 273 286 A F E + H 0 262A 0 -144,-0.4 2,-0.3 -2,-0.3 -11,-0.2 -0.831 37.6 165.6 -99.5 146.5 16.8 25.5 18.2 274 287 A G E - H 0 261A 0 -13,-2.1 -13,-2.3 -2,-0.4 2,-0.4 -0.983 39.9 -90.5-154.9 159.7 15.7 26.5 14.8 275 288 A G E +GH 179 260A 7 -96,-1.4 -96,-2.5 -2,-0.3 -15,-0.2 -0.603 57.3 137.4 -80.3 126.3 16.8 28.5 11.8 276 289 A T E - H 0 259A 0 -17,-2.1 -17,-2.0 -2,-0.4 -19,-0.1 -0.973 59.3 -79.9-157.8 153.9 15.9 32.2 11.7 277 290 A P E + H 0 258A 1 0, 0.0 12,-2.6 0, 0.0 2,-0.3 -0.396 52.6 175.3 -58.8 133.3 17.6 35.4 10.8 278 291 A V E -IH 288 257A 0 -21,-2.2 -21,-2.7 10,-0.2 2,-0.5 -0.918 31.6-120.2-132.1 161.6 19.8 36.7 13.6 279 292 A V E -IH 287 256A 7 8,-2.2 7,-2.6 -2,-0.3 8,-0.9 -0.933 27.2-157.7-103.6 124.1 22.2 39.7 13.9 280 293 A L E +IH 285 255A 0 -25,-2.2 -26,-1.1 -2,-0.5 -25,-0.8 -0.912 30.4 132.6-108.7 122.0 25.8 38.6 14.7 281 294 A G E > S-I 284 0A 0 3,-2.2 3,-2.3 -2,-0.6 -32,-0.1 -0.715 71.9 -56.2-143.7-163.2 28.2 41.1 16.3 282 295 A A T 3 S+ 0 0 47 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.748 131.2 53.8 -56.9 -27.4 30.7 41.4 19.1 283 296 A N T 3 S- 0 0 111 1,-0.3 2,-0.4 -31,-0.0 -1,-0.3 0.181 111.1-124.3 -92.8 15.7 28.1 40.3 21.7 284 297 A G E < S+I 281 0A 0 -3,-2.3 -3,-2.2 -35,-0.1 2,-1.2 -0.649 86.8 18.3 83.9-130.0 27.3 37.2 19.7 285 298 A V E S+I 280 0A 14 -141,-2.9 -5,-0.2 -2,-0.4 3,-0.1 -0.690 73.1 174.1 -76.2 101.3 23.7 36.8 18.8 286 299 A E E + 0 0 51 -7,-2.6 2,-0.3 -2,-1.2 -1,-0.2 0.772 64.2 10.7 -83.6 -27.3 22.7 40.4 19.3 287 301 A Q E -I 279 0A 112 -8,-0.9 -8,-2.2 -3,-0.1 2,-0.6 -0.986 59.7-147.3-151.7 137.5 19.2 40.1 18.0 288 302 A V E -I 278 0A 46 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.969 24.8-150.3-102.8 119.9 16.9 37.1 17.1 289 303 A I - 0 0 54 -12,-2.6 2,-0.7 -2,-0.6 -2,-0.0 -0.819 3.6-154.8 -96.7 123.0 14.7 38.3 14.2 290 304 A E - 0 0 98 -2,-0.6 2,-0.2 -14,-0.1 -14,-0.1 -0.872 13.7-137.3 -99.4 112.5 11.2 36.7 14.0 291 305 A L - 0 0 17 -2,-0.7 2,-2.2 1,-0.1 -24,-0.1 -0.470 19.1-123.0 -63.8 136.7 9.8 36.7 10.5 292 306 A Q - 0 0 174 -2,-0.2 -1,-0.1 -25,-0.0 -2,-0.0 -0.478 43.6-171.4 -81.5 67.6 6.1 37.7 10.5 293 307 A L - 0 0 11 -2,-2.2 2,-0.1 1,-0.1 -26,-0.0 -0.277 17.8-125.8 -61.2 142.7 5.1 34.4 8.8 294 308 A N > - 0 0 59 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.275 37.9 -89.8 -79.1 177.5 1.6 33.9 7.6 295 309 A S H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.876 126.2 47.3 -59.5 -42.0 -0.4 30.9 8.6 296 310 A E H > S+ 0 0 137 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.896 112.2 49.4 -70.0 -41.0 0.7 28.7 5.7 297 311 A E H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 109.7 53.6 -62.8 -43.3 4.4 29.6 6.2 298 312 A K H X S+ 0 0 76 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.859 103.1 56.0 -59.9 -38.7 4.1 28.8 9.9 299 313 A A H X S+ 0 0 48 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.903 109.4 46.8 -61.9 -40.5 2.7 25.4 9.1 300 314 A K H X S+ 0 0 95 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.904 110.8 52.3 -65.9 -41.9 5.8 24.7 7.1 301 315 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.937 107.9 52.1 -56.5 -47.7 7.9 26.0 9.9 302 316 A D H X S+ 0 0 72 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.878 106.1 53.7 -58.1 -40.2 6.2 23.7 12.4 303 317 A E H X S+ 0 0 70 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.861 109.8 48.3 -62.9 -38.3 6.9 20.7 10.1 304 318 A A H >X S+ 0 0 0 -4,-1.7 4,-1.4 -3,-0.3 3,-0.8 0.948 112.0 47.5 -66.9 -48.6 10.6 21.6 10.1 305 319 A I H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.851 104.2 63.3 -61.2 -35.0 10.8 22.0 13.9 306 320 A A H 3X S+ 0 0 51 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.851 100.9 51.8 -61.0 -33.9 8.9 18.7 14.3 307 321 A E H