==== 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 10-SEP-96 1LDG . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR C.DUNN,M.BANFIELD,J.BARKER,C.HIGHAM,K.MORETON,D.TURGUT-BALIK . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 77.8 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 . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.1 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 . 7 2.2 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 1 0 0 0 0 0 2 0 0 1 2 0 2 0 0 1 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 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.2 48.3 3.9 23.9 2 19 A P + 0 0 144 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.214 360.0 123.1 -75.1 8.2 44.7 2.6 24.1 3 20 A K S S- 0 0 65 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.536 75.4 -99.4 -70.0 143.1 44.3 4.4 27.5 4 21 A A - 0 0 16 23,-0.4 25,-2.1 -2,-0.2 2,-0.6 -0.371 27.6-138.8 -65.5 142.7 41.3 6.7 27.3 5 22 A K E -a 29 0A 53 66,-0.3 68,-3.0 23,-0.2 69,-1.8 -0.944 19.1-166.6-104.4 119.7 42.0 10.4 26.7 6 23 A I E -ab 30 74A 2 23,-3.2 25,-2.5 -2,-0.6 2,-0.6 -0.937 2.8-161.0-112.2 115.1 39.7 12.6 28.9 7 24 A V E -ab 31 75A 1 67,-2.8 69,-2.7 -2,-0.6 2,-1.0 -0.857 4.0-158.4-101.2 118.7 39.5 16.3 28.1 8 25 A L E -ab 32 76A 0 23,-3.3 25,-2.4 -2,-0.6 2,-1.4 -0.839 6.4-158.5 -94.2 99.4 38.3 18.5 30.9 9 26 A V E S+ab 33 77A 1 67,-2.1 69,-2.2 -2,-1.0 70,-1.6 -0.704 77.0 34.0 -81.4 95.3 37.1 21.7 29.1 10 27 A G - 0 0 6 23,-2.4 24,-0.2 -2,-1.4 23,-0.2 0.110 66.9-157.4 122.5 119.1 37.2 24.0 32.0 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.142 51.7 114.7-118.3 39.5 39.9 23.7 34.7 12 29 A G S > S- 0 0 30 3,-0.1 4,-2.7 4,-0.0 5,-0.2 0.241 87.9 -49.8 -85.3-145.2 38.3 25.4 37.6 13 30 A M H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.923 140.2 40.3 -58.7 -52.5 37.1 24.0 41.0 14 31 A I H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 114.7 54.2 -64.2 -42.2 35.2 21.0 39.5 15 32 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 107.3 51.8 -57.1 -42.0 37.8 20.4 36.9 16 33 A G H X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.933 110.9 45.1 -61.7 -47.9 40.5 20.2 39.6 17 35 A V H X S+ 0 0 28 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.885 111.4 54.5 -66.1 -36.5 38.6 17.6 41.6 18 36 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.932 107.7 48.6 -61.4 -46.5 37.8 15.6 38.5 19 37 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.934 111.6 51.0 -58.8 -44.2 41.5 15.4 37.5 20 38 A T H X S+ 0 0 55 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.931 113.4 44.1 -58.7 -48.6 42.3 14.3 41.1 21 39 A L H X S+ 0 0 43 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.856 108.4 57.2 -68.6 -35.4 39.7 11.5 41.0 22 40 A I H <>S+ 0 0 1 -4,-2.7 5,-2.3 -5,-0.2 4,-0.4 0.930 110.6 44.5 -61.7 -42.4 40.6 10.4 37.5 23 41 A V H ><5S+ 0 0 0 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.935 110.0 54.7 -67.3 -43.1 44.2 9.7 38.7 24 42 A Q H 3<5S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.865 118.1 36.4 -55.4 -40.2 43.0 8.1 42.0 25 43 A K T 3<5S- 0 0 93 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.393 104.4-129.7 -94.1 0.2 41.0 5.7 39.9 26 44 A N T < 5 + 0 0 76 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.870 51.3 155.7 50.6 44.6 43.5 5.4 37.0 27 45 A L < - 0 0 17 -5,-2.3 -23,-0.4 1,-0.2 2,-0.3 0.752 55.6 -71.3 -73.0 -29.7 40.7 6.2 34.5 28 46 A G - 0 0 0 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.924 67.2 -39.2 159.1 179.8 42.9 7.5 31.7 29 47 A D E -a 5 0A 24 -25,-2.1 -23,-3.2 -2,-0.3 2,-0.4 -0.450 57.3-145.5 -69.7 146.7 45.0 10.4 30.6 30 49 A V E -ac 6 60A 1 29,-3.1 31,-2.8 -25,-0.2 2,-0.5 -0.936 16.0-167.0-122.8 135.8 43.8 13.9 31.5 31 50 A V E -ac 7 61A 13 -25,-2.5 -23,-3.3 -2,-0.4 2,-1.0 -0.981 9.4-157.9-119.2 119.8 43.9 17.3 29.8 32 51 A L E -ac 8 62A 0 29,-3.3 31,-2.1 -2,-0.5 2,-0.4 -0.859 21.1-174.7 -96.9 96.6 43.0 20.3 31.9 33 52 A F E +ac 9 63A 7 -25,-2.4 -23,-2.4 -2,-1.0 2,-0.3 -0.769 11.3 155.0 -93.9 141.3 42.0 22.8 29.2 34 53 A D - 0 0 25 29,-2.1 4,-0.1 -2,-0.4 -2,-0.0 -0.984 50.6-126.5-160.7 160.9 41.1 26.4 30.1 35 54 A I S S+ 0 0 100 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.714 87.2 92.8 -80.3 -25.0 41.0 29.9 28.7 36 55 A V S S- 0 0 74 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 -0.547 84.7-116.6 -75.5 127.8 43.1 31.1 31.6 37 56 A K S S- 0 0 139 -2,-0.3 2,-2.2 1,-0.2 -1,-0.1 -0.386 81.3 -12.0 -69.0 141.2 46.8 31.1 30.8 38 57 A N S >> S+ 0 0 120 1,-0.2 4,-2.2 -4,-0.1 3,-0.7 -0.090 105.1 97.0 64.1 -36.6 49.2 28.9 32.9 39 58 A M H 3> S+ 0 0 59 -2,-2.2 4,-2.7 1,-0.2 5,-0.2 0.895 83.4 51.5 -47.9 -48.5 46.7 27.9 35.6 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.831 109.5 51.7 -60.3 -34.1 45.8 24.6 34.0 41 60 A H H <> S+ 0 0 84 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.907 109.7 49.3 -67.4 -42.1 49.5 23.7 33.7 42 61 A G H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.945 113.8 44.4 -62.2 -50.2 50.0 24.5 37.4 43 62 A K H X S+ 0 0 56 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.903 113.5 51.5 -61.6 -41.7 47.0 22.3 38.4 44 63 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.934 109.8 48.8 -61.3 -45.3 48.1 19.5 36.0 45 64 A L H X S+ 0 0 108 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.949 112.8 47.9 -58.7 -51.7 51.6 19.5 37.4 46 65 A D H >X S+ 0 0 117 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.942 115.9 44.5 -53.8 -51.2 50.4 19.3 41.0 47 66 A T H >< S+ 0 0 11 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.866 102.3 65.6 -66.8 -34.3 47.9 16.5 40.1 48 67 A S H >< S+ 0 0 33 -4,-2.9 3,-1.7 1,-0.3 4,-0.2 0.847 92.7 62.4 -58.9 -34.6 50.4 14.5 38.1 49 68 A H H XX S+ 0 0 101 -4,-1.2 3,-1.8 -3,-0.6 4,-0.6 0.795 87.5 72.5 -62.3 -27.1 52.6 13.8 41.2 50 69 A T H >S+ 0 0 23 -3,-1.7 5,-1.8 -4,-0.3 4,-0.8 0.872 90.4 52.8 -54.8 -34.2 50.3 9.1 40.4 52 71 A V H X45S+ 0 0 117 -3,-1.8 3,-1.0 -4,-0.2 -1,-0.2 0.974 111.6 41.6 -65.8 -54.4 53.0 8.0 42.8 53 72 A M H 3<5S+ 0 0 127 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.844 119.4 47.0 -62.0 -33.3 50.7 8.0 45.9 54 73AA A H 3<5S- 0 0 15 -4,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.479 102.2-127.4 -89.8 -4.0 47.9 6.4 43.9 55 73BA Y T <<5 + 0 0 221 -3,-1.0 -3,-0.2 -4,-0.8 2,-0.2 0.826 68.3 131.0 58.8 32.7 50.0 3.6 42.2 56 74 A S < - 0 0 21 -5,-1.8 -1,-0.2 -6,-0.2 -33,-0.1 -0.485 56.1-147.0-108.6 176.7 48.5 4.9 38.9 57 75 A N + 0 0 115 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.446 42.0 139.0-145.4 67.0 49.9 5.9 35.5 58 76 A C - 0 0 1 -10,-0.1 -29,-0.1 -30,-0.1 -7,-0.1 -0.960 46.3-134.0-115.7 124.9 47.8 8.7 34.1 59 77 A K - 0 0 119 -2,-0.5 -29,-3.1 -8,-0.0 2,-0.4 -0.475 19.0-163.2 -72.0 144.1 49.3 11.6 32.2 60 78 A V E +c 30 0A 14 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.933 14.8 173.0-134.1 110.3 47.9 15.0 33.4 61 79 A S E -c 31 0A 60 -31,-2.8 -29,-3.3 -2,-0.4 2,-0.2 -0.874 24.3-136.3-119.8 150.7 48.5 17.9 31.1 62 80 A G E -c 32 0A 12 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.647 25.3-172.3 -97.4 162.2 47.3 21.5 31.0 63 81 A S E +c 33 0A 2 -31,-2.1 -29,-2.1 -2,-0.2 3,-0.0 -0.991 36.0 178.0-158.0 146.6 46.2 23.2 27.9 64 83 A N S S+ 0 0 39 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.043 70.1 94.3-127.1 15.1 45.1 26.6 26.5 65 84 A T > - 0 0 74 1,-0.1 3,-2.1 0, 0.0 4,-0.1 -0.943 62.4-154.6-118.8 115.2 44.7 25.1 22.9 66 85 A Y G > S+ 0 0 33 -2,-0.5 3,-2.0 1,-0.3 4,-0.1 0.818 90.0 71.9 -54.2 -35.5 41.3 23.9 21.7 67 86 A D G > S+ 0 0 99 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.643 75.7 81.5 -59.1 -13.6 43.0 21.5 19.2 68 87 A D G < S+ 0 0 66 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.545 73.0 78.6 -70.1 -2.1 44.0 19.4 22.2 69 88 A L G X + 0 0 2 -3,-2.0 3,-2.0 -4,-0.1 -1,-0.3 0.679 68.8 112.2 -74.5 -19.4 40.4 18.0 21.9 70 89 A A T < S+ 0 0 45 -3,-2.0 46,-0.2 1,-0.3 45,-0.1 -0.343 83.2 14.4 -58.1 130.0 41.7 15.9 19.0 71 90 A G T 3 S+ 0 0 55 44,-0.9 -66,-0.3 1,-0.3 -1,-0.3 0.521 89.0 154.8 82.3 7.3 41.7 12.2 20.0 72 91 A S < - 0 0 8 -3,-2.0 -1,-0.3 1,-0.2 -66,-0.2 -0.436 28.3-173.1 -71.3 135.7 39.5 12.8 23.0 73 92 A D S S+ 0 0 72 -68,-3.0 47,-2.6 1,-0.4 2,-0.4 0.758 79.2 21.4 -94.9 -34.6 37.4 9.8 24.2 74 93 A V E -bd 6 120A 0 -69,-1.8 -67,-2.8 45,-0.2 2,-0.5 -0.999 66.7-166.3-136.0 134.2 35.5 11.7 26.8 75 94 A V E -bd 7 121A 0 45,-2.6 47,-2.8 -2,-0.4 2,-0.6 -0.993 4.0-165.8-122.9 122.0 35.0 15.5 27.0 76 95 A I E -bd 8 122A 0 -69,-2.7 -67,-2.1 -2,-0.5 2,-0.7 -0.949 8.8-154.7-112.2 116.8 33.6 17.0 30.2 77 96 A V E +bd 9 123A 0 45,-3.1 47,-2.8 -2,-0.6 48,-1.5 -0.817 38.8 141.1-100.0 109.2 32.4 20.6 29.9 78 97 A T + 0 0 26 -69,-2.2 -68,-0.2 -2,-0.7 -1,-0.1 0.287 33.3 135.8-117.5 -2.3 32.4 22.8 33.0 79 98 A A + 0 0 18 -70,-1.6 2,-0.3 -3,-0.1 -69,-0.1 -0.271 45.0 49.9 -52.1 129.6 33.5 25.9 31.2 80 99 A G S S- 0 0 40 45,-0.1 2,-0.3 24,-0.1 21,-0.1 -0.944 88.0 -39.1 141.1-162.2 31.6 29.0 32.2 81 100 A F - 0 0 98 -2,-0.3 45,-0.3 16,-0.2 3,-0.1 -0.772 23.4-156.5-105.9 150.5 30.4 31.0 35.2 82 101 A T S S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.674 83.6 7.1 -94.4 -21.0 29.2 29.8 38.6 83 102 A K S S- 0 0 88 13,-0.1 -1,-0.2 9,-0.1 11,-0.1 -0.958 85.5 -91.6-154.2 163.6 27.3 33.0 39.3 84 103AA A > - 0 0 19 -2,-0.3 2,-2.3 9,-0.1 3,-2.2 -0.753 45.1-115.1 -84.1 124.0 26.3 36.3 37.6 85 103BA P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.287 105.3 30.9 -60.0 72.6 28.9 39.1 38.2 86 103CA G T 3 S+ 0 0 76 -2,-2.3 2,-0.2 1,-0.4 -2,-0.0 0.263 91.0 103.5 161.3 -13.9 26.7 41.5 40.3 87 103DA K < - 0 0 103 -3,-2.2 -1,-0.4 1,-0.1 2,-0.2 -0.582 68.9-118.2 -88.7 154.0 24.2 39.3 42.2 88 103EA S > - 0 0 43 -2,-0.2 3,-0.7 1,-0.1 -4,-0.1 -0.552 25.4-112.7 -87.2 160.4 24.6 38.6 45.9 89 105AA D G > S+ 0 0 77 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.849 118.1 62.3 -60.6 -31.3 25.0 35.0 47.2 90 105BA K G 3 S+ 0 0 148 1,-0.3 -1,-0.3 139,-0.1 139,-0.1 0.856 107.2 43.0 -62.5 -36.4 21.6 35.3 48.8 91 106 A E G < S+ 0 0 104 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.2 0.035 83.7 148.7 -99.9 26.9 20.1 35.8 45.3 92 107 A W < + 0 0 23 -3,-1.6 2,-0.3 133,-0.1 -3,-0.1 -0.415 16.3 167.2 -65.1 129.3 22.1 33.1 43.7 93 108 A N > - 0 0 48 -2,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.951 39.8-142.1-151.3 125.8 20.2 31.4 40.8 94 109 A R G > S+ 0 0 9 -2,-0.3 3,-1.5 1,-0.3 4,-0.1 0.750 99.7 68.9 -54.8 -28.3 21.4 29.0 38.0 95 110 A L G > S+ 0 0 50 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.897 88.9 62.7 -62.2 -36.7 19.0 30.8 35.6 96 111 A D G < S+ 0 0 58 -3,-1.3 -1,-0.3 1,-0.3 4,-0.2 0.585 90.7 68.8 -67.0 -5.9 21.1 33.9 35.6 97 112 A L G <> S+ 0 0 2 -3,-1.5 4,-2.5 -4,-0.3 -1,-0.3 0.487 76.4 89.3 -89.0 -4.4 24.0 31.9 34.1 98 113 A L H <> S+ 0 0 7 -3,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.925 88.2 41.1 -60.1 -53.0 22.1 31.6 30.9 99 114 A P H 4 S+ 0 0 83 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.710 118.0 51.2 -71.1 -17.0 23.4 34.8 29.1 100 115 A L H 4 S+ 0 0 47 -4,-0.2 4,-0.3 -3,-0.1 -2,-0.2 0.894 116.9 33.5 -85.5 -41.2 26.9 34.2 30.4 101 116 A N H X S+ 0 0 0 -4,-2.5 4,-1.8 25,-0.2 -3,-0.1 0.596 94.3 83.2 -95.5 -12.5 27.4 30.5 29.3 102 117 A N H X S+ 0 0 34 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.1 0.934 93.1 46.4 -57.9 -50.8 25.5 30.2 26.0 103 118 A K H > S+ 0 0 143 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.824 108.3 58.5 -62.5 -34.1 28.2 31.6 23.7 104 119 A I H > S+ 0 0 41 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.929 104.5 50.2 -62.5 -45.6 30.8 29.4 25.5 105 120 A M H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.868 109.0 51.3 -61.6 -41.2 28.8 26.2 24.6 106 121 A I H X S+ 0 0 70 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.954 111.7 47.3 -61.8 -48.0 28.5 27.2 20.9 107 122 A E H X S+ 0 0 92 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.917 114.5 45.8 -59.3 -47.2 32.3 27.8 20.7 108 123 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 109.0 57.0 -65.0 -38.7 33.1 24.5 22.4 109 124 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.909 103.7 52.5 -58.8 -43.7 30.6 22.7 20.2 110 125 A G H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.912 110.9 47.4 -59.5 -42.1 32.3 23.8 17.1 111 126 A H H X S+ 0 0 52 -4,-1.5 4,-3.0 2,-0.2 5,-0.4 0.874 110.7 51.1 -68.3 -37.1 35.7 22.5 18.4 112 127 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.949 108.8 51.8 -64.7 -45.5 34.2 19.2 19.4 113 128 A K H < S+ 0 0 108 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.895 118.1 37.7 -57.1 -42.2 32.6 18.7 16.0 114 129 A K H < S+ 0 0 184 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.880 128.9 28.6 -77.7 -40.6 36.0 19.4 14.2 115 130 A N H < S+ 0 0 37 -4,-3.0 -44,-0.9 -5,-0.2 -3,-0.2 0.838 134.6 9.3 -93.9 -40.2 38.4 17.7 16.7 116 131 A C >< + 0 0 7 -4,-2.1 3,-1.9 -5,-0.4 -1,-0.1 -0.346 60.1 158.3-144.1 64.8 36.5 14.8 18.4 117 132AA P T 3 S+ 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.685 79.5 53.2 -62.2 -18.1 33.1 14.1 16.8 118 132BA N T 3 S+ 0 0 129 -46,-0.1 2,-0.1 -6,-0.1 -5,-0.1 0.266 84.8 115.5-101.5 10.2 33.1 10.5 18.2 119 133 A A S < S- 0 0 0 -3,-1.9 2,-0.5 -7,-0.2 -45,-0.2 -0.395 71.1-115.8 -78.7 156.4 33.8 11.5 21.8 120 134 A F E -d 74 0A 0 -47,-2.6 -45,-2.6 -2,-0.1 2,-0.4 -0.837 36.6-150.1 -91.0 126.1 31.3 10.9 24.7 121 135 A I E -de 75 146A 0 24,-3.3 26,-2.2 -2,-0.5 2,-0.5 -0.870 18.1-172.3-109.4 133.8 30.3 14.3 26.0 122 136 A I E -de 76 147A 0 -47,-2.8 -45,-3.1 -2,-0.4 2,-0.4 -0.985 12.8-159.3-121.7 114.6 29.3 15.3 29.6 123 137 A V E +de 77 148A 0 24,-2.8 26,-2.5 -2,-0.5 -45,-0.2 -0.840 23.9 160.0 -98.2 133.9 28.0 18.8 30.0 124 138 A V + 0 0 15 -47,-2.8 4,-0.3 -2,-0.4 -46,-0.2 0.662 34.3 116.3-119.5 -35.4 28.0 20.4 33.4 125 139 A T S S- 0 0 7 -48,-1.5 6,-0.3 2,-0.1 7,-0.2 -0.040 70.6 -79.3 -43.4 129.5 27.8 24.2 32.8 126 140 A N S S+ 0 0 29 -45,-0.3 -45,-0.2 1,-0.2 -25,-0.2 -0.483 117.7 40.0 -86.8 151.4 24.5 25.8 34.2 127 141 A P S >> S- 0 0 6 0, 0.0 4,-2.5 0, 0.0 3,-1.4 0.222 86.3-173.9 -74.8 109.2 21.6 26.0 33.4 128 142 A V H 3> S+ 0 0 0 -4,-0.3 4,-2.8 1,-0.3 5,-0.2 0.750 72.0 53.7 -46.1 -44.2 22.6 22.4 32.5 129 143 A D H 3> S+ 0 0 7 52,-0.3 4,-0.7 2,-0.2 144,-0.3 0.823 116.7 40.8 -67.0 -27.6 19.5 21.2 30.8 130 144 A V H <> S+ 0 0 5 -3,-1.4 4,-2.0 2,-0.2 3,-0.3 0.926 115.9 50.0 -80.6 -49.9 19.6 24.1 28.4 131 145 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 -6,-0.3 5,-0.2 0.864 105.6 56.3 -58.8 -40.4 23.4 24.1 28.0 132 146 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.889 109.7 44.8 -62.0 -39.8 23.5 20.3 27.1 133 147 A Q H X S+ 0 0 10 -4,-0.7 4,-2.7 -3,-0.3 -1,-0.2 0.889 110.5 54.6 -72.2 -36.8 21.1 20.7 24.2 134 148 A L H X S+ 0 0 28 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.935 112.9 43.1 -60.6 -43.8 22.9 23.8 23.0 135 149 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 6,-0.3 0.869 110.2 56.7 -70.3 -37.6 26.1 21.8 22.9 136 150 A H H X S+ 0 0 33 -4,-2.2 4,-1.4 -5,-0.2 5,-0.3 0.956 110.8 44.1 -57.1 -50.0 24.4 18.7 21.4 137 151 A Q H < S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.918 118.7 41.6 -64.0 -43.4 23.2 20.9 18.5 138 152 A H H < S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.2 -25,-0.2 0.741 115.2 49.3 -79.0 -21.5 26.5 22.7 17.9 139 153 A S H < S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.680 93.5-141.5 -88.3 -23.3 28.7 19.7 18.3 140 154 A G < + 0 0 48 -4,-1.4 -3,-0.1 -5,-0.2 -4,-0.1 0.504 45.4 151.7 75.2 6.1 26.8 17.4 16.0 141 155 A V - 0 0 5 -5,-0.3 -1,-0.2 -6,-0.3 -23,-0.1 -0.292 53.0 -94.9 -71.6 153.5 27.2 14.3 18.2 142 156 A P > - 0 0 63 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.293 35.4-111.5 -63.4 153.4 24.6 11.5 18.2 143 157 A K G > S+ 0 0 89 1,-0.3 3,-0.7 2,-0.2 119,-0.4 0.723 116.8 58.1 -58.8 -26.5 22.0 11.7 21.0 144 158 A N G 3 S+ 0 0 56 1,-0.2 141,-2.6 117,-0.1 -1,-0.3 0.468 100.5 59.6 -85.2 2.4 23.4 8.6 22.7 145 159 A K G < S+ 0 0 32 -3,-2.1 -24,-3.3 139,-0.2 2,-0.3 0.205 97.3 59.8-115.1 14.3 26.8 10.3 23.1 146 160 A I E < +e 121 0A 0 -3,-0.7 116,-0.3 -26,-0.2 2,-0.3 -0.985 52.5 160.4-147.1 133.4 26.0 13.4 25.2 147 161 A I E -e 122 0A 0 -26,-2.2 -24,-2.8 -2,-0.3 2,-0.4 -0.937 27.2-130.1-143.3 162.6 24.4 13.8 28.6 148 162 A G E -eF 123 260A 0 112,-1.8 112,-2.5 -2,-0.3 2,-0.2 -0.915 26.2-110.6-119.3 147.7 24.2 16.5 31.2 149 163 A L + 0 0 6 -26,-2.5 110,-0.1 -2,-0.4 32,-0.1 -0.550 69.6 101.7 -73.3 138.7 25.0 16.3 35.0 150 164 A G >> + 0 0 4 108,-0.4 4,-2.5 -2,-0.2 3,-0.5 -0.187 67.3 45.6-171.2 -82.8 22.0 16.6 37.2 151 165 A G H 3> S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.758 105.4 58.0 -55.3 -38.8 20.3 13.7 38.9 152 166 A V H 3> S+ 0 0 10 106,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.925 115.3 40.0 -61.8 -39.7 23.3 11.8 40.2 153 167 A L H <> S+ 0 0 6 -3,-0.5 4,-1.5 105,-0.2 -2,-0.2 0.950 116.7 46.7 -73.0 -51.9 24.3 14.9 42.1 154 168 A D H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.931 115.9 46.3 -58.2 -45.2 20.8 16.0 43.3 155 169 A T H X S+ 0 0 2 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.827 102.5 63.9 -68.4 -29.8 20.0 12.4 44.4 156 170 A S H X S+ 0 0 44 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.917 106.2 46.4 -60.0 -37.7 23.3 12.0 46.2 157 171 A R H X S+ 0 0 18 -4,-1.5 4,-2.5 -3,-0.3 -2,-0.2 0.938 115.1 44.2 -68.2 -46.8 22.2 14.8 48.5 158 172 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.917 115.1 48.9 -63.8 -46.4 18.7 13.4 49.1 159 173 A K H X S+ 0 0 43 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.912 112.5 49.6 -59.4 -44.5 20.1 9.8 49.6 160 174 A Y H X S+ 0 0 112 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.958 108.6 49.1 -61.9 -54.2 22.7 11.2 52.0 161 175 A Y H X S+ 0 0 43 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.882 114.3 47.1 -54.5 -42.5 20.3 13.2 54.2 162 176 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 0.923 107.6 56.1 -67.3 -41.1 18.0 10.2 54.5 163 177 A S H X>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 4,-1.0 0.822 105.8 52.1 -61.3 -30.4 20.8 7.7 55.3 164 178 A Q H <5S+ 0 0 93 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.844 109.9 47.2 -76.8 -31.0 21.9 9.9 58.2 165 179 A K H <5S+ 0 0 79 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.926 121.0 37.8 -73.8 -41.2 18.4 10.0 59.8 166 180 A L H <5S- 0 0 24 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.528 104.8-128.8 -86.7 -8.2 18.0 6.2 59.3 167 181 A N T <5 + 0 0 141 -4,-1.0 2,-0.3 -5,-0.2 -3,-0.2 0.949 62.3 126.7 58.2 54.1 21.6 5.3 60.2 168 182 A V S - 0 0 75 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.367 45.0-128.0 -59.5 129.9 25.0 3.2 54.5 170 184 A P G > S+ 0 0 52 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.879 108.1 55.3 -48.4 -43.5 24.5 6.2 52.2 171 185 A R G 3 S+ 0 0 157 1,-0.3 -2,-0.1 23,-0.0 -11,-0.0 0.657 94.1 71.3 -66.0 -18.8 24.5 4.1 49.0 172 186 A D G < S+ 0 0 86 -3,-2.0 23,-3.1 23,-0.1 24,-0.6 0.601 82.9 78.6 -73.7 -13.8 21.8 1.9 50.4 173 187 A V E < -J 194 0B 1 -3,-1.7 2,-0.4 -4,-0.4 21,-0.2 -0.870 67.1-169.2 -94.5 125.3 19.2 4.7 50.0 174 188 A N E +J 193 0B 76 19,-2.2 19,-2.4 -2,-0.6 2,-0.3 -0.920 13.5 162.8-113.6 143.2 18.1 4.9 46.3 175 189 A A - 0 0 0 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.977 27.2-134.0-154.2 161.5 16.1 7.9 45.1 176 190 A H + 0 0 35 12,-0.4 12,-2.4 -2,-0.3 2,-0.5 -0.988 15.4 178.2-130.7 128.1 15.0 9.7 41.9 177 191 A I E +L 187 0C 3 -2,-0.4 10,-0.2 10,-0.2 2,-0.2 -0.999 24.8 169.1-125.6 121.5 15.0 13.4 41.1 178 192 A V E +L 186 0C 3 8,-2.1 8,-2.7 -2,-0.5 2,-1.5 -0.649 34.6 48.8-128.0-177.9 13.9 14.2 37.5 179 193 A G B S-G 275 0A 0 96,-2.4 96,-1.2 -2,-0.2 2,-0.3 -0.557 107.6 -7.9 91.1 -75.5 12.9 16.8 35.0 180 194 A A - 0 0 11 -2,-1.5 2,-1.0 94,-0.2 6,-0.2 -0.987 62.2-112.9-154.2 157.1 15.6 19.4 35.4 181 195 A H S S+ 0 0 20 -2,-0.3 2,-0.3 -32,-0.1 -52,-0.3 -0.832 84.9 59.6 -94.0 101.8 18.5 20.3 37.6 182 196 A G S > S- 0 0 12 -2,-1.0 3,-2.2 -55,-0.1 -2,-0.1 -0.959 109.4 -42.7 166.7-169.5 17.4 23.5 39.3 183 197 A N T 3 S+ 0 0 91 1,-0.3 38,-0.1 -2,-0.3 121,-0.0 0.622 130.4 55.9 -59.7 -16.8 14.7 24.9 41.6 184 198 A K T 3 S+ 0 0 92 120,-0.1 -1,-0.3 119,-0.1 120,-0.2 0.207 75.8 143.0 -98.7 11.9 12.0 22.9 39.7 185 199 A M < - 0 0 13 -3,-2.2 2,-0.8 -6,-0.1 -6,-0.2 -0.242 52.2-125.6 -54.2 138.4 13.7 19.5 40.2 186 200 A V E -L 178 0C 9 -8,-2.7 -8,-2.1 -6,-0.2 2,-0.8 -0.802 19.0-160.9 -96.8 105.8 11.2 16.8 40.8 187 201 A L E -L 177 0C 27 -2,-0.8 2,-1.3 -10,-0.2 -10,-0.2 -0.766 11.0-149.1 -86.6 112.6 11.8 14.8 44.0 188 202 A L > + 0 0 4 -12,-2.4 3,-1.8 -2,-0.8 -12,-0.4 -0.602 18.8 179.1 -88.3 86.6 9.9 11.5 43.6 189 203 A K G > S+ 0 0 82 -2,-1.3 3,-1.2 1,-0.3 10,-0.2 0.840 81.0 60.1 -51.0 -40.6 8.9 10.5 47.1 190 204 A R G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 10,-0.1 0.766 102.1 54.0 -60.9 -29.4 7.2 7.3 45.7 191 205 A Y G < S+ 0 0 46 -3,-1.8 2,-0.5 -15,-0.2 -1,-0.3 -0.117 80.0 114.9 -98.4 30.1 10.5 6.1 44.3 192 206 A I < + 0 0 3 -3,-1.2 7,-2.4 -17,-0.2 8,-0.3 -0.893 38.9 176.6-103.5 134.4 12.6 6.2 47.4 193 207 A T E -JK 174 198B 39 -19,-2.4 -19,-2.2 -2,-0.5 2,-0.4 -0.935 22.3-151.7-132.2 159.1 14.0 2.9 48.9 194 208 A V E > S-JK 173 197B 4 3,-2.7 3,-1.9 -2,-0.3 -21,-0.2 -0.977 91.1 -13.5-132.0 113.9 16.3 1.9 51.7 195 209AA G T 3 S- 0 0 53 -23,-3.1 -22,-0.1 -2,-0.4 -1,-0.1 0.845 130.7 -57.9 61.2 28.0 18.2 -1.3 51.2 196 209BA G T 3 S+ 0 0 60 -24,-0.6 -1,-0.3 1,-0.3 -23,-0.1 0.418 114.0 122.7 82.1 -2.1 15.7 -1.8 48.4 197 209CA I E < S-K 194 0B 69 -3,-1.9 -3,-2.7 1,-0.1 -1,-0.3 -0.743 75.0 -98.8 -93.3 136.3 12.7 -1.6 50.7 198 209DA P E >> -K 193 0B 67 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.312 26.2-131.8 -56.5 135.7 10.1 1.1 50.0 199 210AA L H >> S+ 0 0 4 -7,-2.4 4,-1.8 1,-0.3 3,-1.1 0.823 101.9 73.2 -57.8 -33.8 10.7 4.2 52.2 200 210BA Q H 3> S+ 0 0 91 -8,-0.3 4,-3.0 1,-0.3 -1,-0.3 0.818 89.0 60.6 -53.0 -31.1 7.0 4.2 53.2 201 211 A E H <> S+ 0 0 99 -3,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.892 106.2 45.7 -64.7 -36.8 7.7 1.1 55.4 202 212 A F H <<>S+ 0 0 34 -3,-1.1 5,-2.5 -4,-0.6 6,-1.1 0.796 112.4 51.3 -74.4 -29.3 10.2 3.2 57.4 203 213 A I H ><5S+ 0 0 17 -4,-1.8 3,-1.7 4,-0.2 -2,-0.2 0.929 108.8 51.1 -71.7 -42.5 7.6 6.0 57.6 204 214 A N H 3<5S+ 0 0 109 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.848 108.4 52.7 -60.6 -36.9 5.0 3.5 58.8 205 215 A N T 3<5S- 0 0 111 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.276 114.5-116.6 -82.6 7.0 7.4 2.3 61.5 206 216 A K T < 5S+ 0 0 191 -3,-1.7 -3,-0.2 2,-0.3 3,-0.2 0.734 80.9 125.6 63.2 24.6 7.9 5.9 62.8 207 218 A L S - 0 0 45 -2,-0.3 4,-2.2 -3,-0.2 5,-0.1 -0.664 21.9-117.4-101.3 166.8 8.3 11.0 59.4 210 221 A D H > S+ 0 0 74 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.872 117.1 53.9 -66.0 -36.5 6.6 12.7 56.4 211 222 A A H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 109.2 47.6 -65.9 -41.7 7.4 16.1 58.0 212 223 A E H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 111.8 50.4 -64.9 -40.2 11.1 15.2 58.3 213 225 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.916 106.9 53.9 -64.7 -40.3 11.2 14.0 54.7 214 226 A E H X S+ 0 0 129 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.897 109.8 48.1 -61.0 -37.8 9.5 17.2 53.6 215 227 A A H X S+ 0 0 60 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.899 110.9 50.9 -68.9 -39.8 12.3 19.1 55.3 216 228 A I H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 108.2 53.5 -64.7 -38.6 14.9 16.8 53.7 217 229 A F H X S+ 0 0 30 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.946 109.9 46.2 -61.0 -49.8 13.3 17.5 50.3 218 230 A D H X S+ 0 0 95 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.893 111.8 51.9 -61.0 -39.0 13.6 21.3 50.7 219 231 A R H X S+ 0 0 118 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.925 108.6 51.4 -64.4 -41.7 17.2 20.9 51.9 220 232 A T H >< S+ 0 0 1 -4,-2.5 3,-1.1 2,-0.2 4,-0.4 0.946 111.2 46.5 -59.3 -51.0 18.0 18.9 48.8 221 233 A V H 3< S+ 0 0 25 -4,-2.4 3,-0.3 1,-0.2 4,-0.3 0.910 119.9 40.6 -60.0 -40.3 16.5 21.5 46.5 222 234 A N H 3X S+ 0 0 71 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.391 83.5 105.6 -92.2 7.3 18.3 24.3 48.3 223 235 A T H S+ 0 0 4 -4,-0.4 4,-2.9 -3,-0.3 -1,-0.2 0.951 115.0 45.9 -57.7 -47.2 23.6 24.4 46.2 225 237 A L H > S+ 0 0 51 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.897 111.3 52.7 -62.0 -41.8 22.3 27.7 47.6 226 238 A E H X S+ 0 0 67 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.924 114.8 40.9 -60.4 -46.1 23.0 26.6 51.2 227 239 A I H X>S+ 0 0 53 -4,-2.8 4,-3.8 1,-0.2 5,-0.7 0.877 111.0 57.3 -71.2 -36.6 26.6 25.8 50.3 228 240 A V H <5S+ 0 0 7 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.823 110.6 45.0 -62.8 -31.5 27.0 28.9 48.1 229 241 A N H <5S+ 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.685 118.8 41.5 -87.3 -17.2 26.1 31.0 51.1 230 242 A L H <5S- 0 0 138 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.2 0.838 142.1 -28.6 -92.6 -38.8 28.4 29.1 53.4 231 243 A H T <5S- 0 0 123 -4,-3.8 2,-0.3 1,-0.2 -3,-0.2 0.485 99.2 -49.7-141.3 -76.2 31.4 28.8 51.1 232 244 A A S + 0 0 53 -3,-0.1 4,-2.3 -222,-0.1 5,-0.2 0.580 57.6 64.6-139.8 -30.1 32.5 21.3 43.4 236 248 A V H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.966 110.1 37.6 -66.7 -54.7 33.5 18.1 45.3 237 249 A A H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 115.7 54.3 -64.7 -43.0 30.2 16.2 45.0 238 250 A P H > S+ 0 0 7 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.959 109.8 48.3 -55.5 -44.6 29.6 17.5 41.5 239 251 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.912 111.4 49.0 -60.1 -45.5 33.1 16.2 40.5 240 252 A A H X S+ 0 0 47 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.882 111.2 50.3 -62.8 -39.3 32.4 12.8 42.1 241 253 A A H X S+ 0 0 6 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.960 110.8 49.0 -63.2 -49.9 29.0 12.5 40.4 242 254 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.914 111.1 49.4 -56.2 -47.3 30.6 13.3 37.0 243 255 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.852 105.9 56.3 -65.6 -31.6 33.3 10.8 37.4 244 256 A E H X S+ 0 0 32 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.944 112.4 43.5 -65.4 -38.1 30.8 8.1 38.4 245 257 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.952 115.2 47.0 -68.2 -48.7 29.1 8.8 35.1 246 258 A A H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.904 112.9 51.2 -60.2 -40.0 32.3 9.0 33.1 247 259 A E H X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.2 6,-0.3 0.860 105.2 54.2 -65.6 -40.9 33.5 5.8 34.8 248 260 A S H <>S+ 0 0 0 -4,-2.0 5,-1.8 -5,-0.2 6,-0.7 0.907 113.5 44.6 -59.4 -42.9 30.3 3.9 34.0 249 261 A Y H ><5S+ 0 0 34 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.979 116.2 44.3 -63.4 -58.1 30.9 4.8 30.3 250 262 A L H 3<5S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.856 121.5 37.5 -57.6 -41.6 34.6 4.0 30.2 251 263 A K T 3<5S- 0 0 116 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.344 104.5-124.0 -94.5 5.4 34.4 0.7 32.1 252 264 A D T < 5 + 0 0 67 -3,-1.2 -3,-0.2 -4,-0.4 29,-0.1 0.902 56.2 152.8 51.7 47.2 31.0 -0.4 30.5 253 265 A L < - 0 0 83 -5,-1.8 28,-0.2 -6,-0.3 -4,-0.1 0.772 43.2-144.2 -75.3 -27.7 29.5 -0.8 33.9 254 266 A K + 0 0 92 26,-1.2 27,-0.2 -6,-0.7 2,-0.1 0.839 31.0 178.4 64.1 37.8 25.9 -0.1 32.6 255 267 A K E - H 0 280A 56 25,-0.8 25,-2.1 -10,-0.1 2,-0.7 -0.383 34.1-121.9 -70.6 146.8 24.9 1.8 35.8 256 268 A V E + H 0 279A 87 23,-0.2 2,-0.4 -2,-0.1 23,-0.2 -0.838 47.1 165.7 -89.2 114.4 21.4 3.3 36.0 257 269 A L E - H 0 278A 11 21,-2.7 21,-2.0 -2,-0.7 2,-0.6 -0.999 38.9-120.9-136.6 135.9 22.2 6.9 36.6 258 270 A I E + H 0 277A 11 -2,-0.4 -106,-1.2 19,-0.3 -108,-0.4 -0.693 48.2 153.3 -82.6 118.2 19.9 9.9 36.3 259 271 A C E - H 0 276A 0 17,-2.0 17,-2.0 -2,-0.6 2,-0.5 -0.890 52.0 -93.0-139.8 163.8 21.2 12.4 33.7 260 272 A S E +FH 148 275A 1 -112,-2.5 -112,-1.8 -2,-0.3 2,-0.3 -0.722 57.5 163.3 -80.3 125.0 19.9 15.0 31.3 261 273 A T E - H 0 274A 3 13,-2.2 13,-2.0 -2,-0.5 2,-0.3 -0.943 46.4 -80.5-142.2 157.5 19.3 13.3 28.0 262 274 A L E - H 0 273A 24 -119,-0.4 2,-0.4 -116,-0.3 11,-0.3 -0.475 44.4-143.8 -63.1 123.1 17.4 14.0 24.8 263 275 A L E + H 0 272A 1 9,-3.2 8,-0.9 -2,-0.3 9,-0.7 -0.750 20.9 179.1 -90.8 133.2 13.7 13.2 25.3 264 276 A E E S- H 0 270A 99 -2,-0.4 6,-0.3 6,-0.2 -1,-0.1 -0.398 80.3 -35.9-128.1 50.0 11.9 11.6 22.3 265 277 A G S > S+ 0 0 37 4,-3.1 3,-1.9 1,-0.4 5,-0.2 0.082 95.4 134.6 121.3 -23.9 8.4 11.1 23.6 266 278 A Q G > S+ 0 0 29 1,-0.3 3,-2.1 3,-0.2 -1,-0.4 -0.318 83.0 4.3 -62.1 137.8 9.1 10.1 27.2 267 279 A Y G 3 S- 0 0 9 1,-0.3 -1,-0.3 24,-0.1 3,-0.1 0.601 131.9 -67.8 61.9 14.3 6.8 11.9 29.7 268 280 A G G < S+ 0 0 64 -3,-1.9 2,-0.4 1,-0.3 -1,-0.3 0.631 108.2 121.0 81.6 15.4 5.0 13.4 26.7 269 281 A H < + 0 0 27 -3,-2.1 -4,-3.1 3,-0.0 2,-0.3 -0.920 33.4 171.5-118.4 142.8 8.1 15.5 25.8 270 282 A S E + H 0 264A 56 -2,-0.4 -6,-0.2 -6,-0.3 3,-0.1 -0.907 58.7 27.5-139.7 163.7 10.2 15.7 22.7 271 283 A D E S+ 0 0 125 -8,-0.9 2,-0.3 -2,-0.3 -7,-0.1 0.766 101.2 87.6 54.9 35.7 13.0 17.9 21.3 272 285 A I E S- H 0 263A 0 -9,-0.7 -9,-3.2 -3,-0.1 2,-0.4 -0.969 74.6-118.5-155.3 154.6 14.2 18.9 24.7 273 286 A F E + H 0 262A 0 -144,-0.3 2,-0.3 -2,-0.3 -11,-0.2 -0.859 37.9 164.0 -99.4 142.3 16.7 17.5 27.3 274 287 A G E - H 0 261A 0 -13,-2.0 -13,-2.2 -2,-0.4 2,-0.3 -0.982 41.1 -90.2-153.6 157.0 15.5 16.5 30.7 275 288 A G E +GH 179 260A 6 -96,-1.2 -96,-2.4 -2,-0.3 -15,-0.2 -0.569 57.6 138.3 -75.7 129.6 16.6 14.5 33.7 276 289 A T E - H 0 259A 0 -17,-2.0 -17,-2.0 -2,-0.3 14,-0.1 -0.976 58.5 -81.0-163.4 151.9 15.7 10.8 33.7 277 290 A P E + H 0 258A 2 0, 0.0 12,-2.5 0, 0.0 2,-0.3 -0.418 52.7 174.3 -62.7 136.7 17.4 7.5 34.6 278 291 A V E -IH 288 257A 0 -21,-2.0 -21,-2.7 10,-0.2 2,-0.6 -0.885 32.5-119.4-134.4 166.2 19.6 6.2 31.8 279 292 A V E -IH 287 256A 7 8,-2.0 7,-2.5 -2,-0.3 8,-0.8 -0.970 26.9-157.7-111.5 117.6 22.0 3.3 31.5 280 293 A L E +IH 285 255A 0 -25,-2.1 -26,-1.2 -2,-0.6 -25,-0.8 -0.882 31.3 131.7-102.1 121.2 25.5 4.3 30.8 281 294 A G E > S-I 284 0A 0 3,-2.3 3,-2.4 -2,-0.6 -32,-0.1 -0.739 71.3 -55.5-144.4-163.6 27.9 1.8 29.1 282 295 A A T 3 S+ 0 0 47 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.769 130.8 52.6 -54.5 -33.0 30.4 1.4 26.3 283 296 A N T 3 S- 0 0 116 1,-0.3 2,-0.4 -31,-0.0 -1,-0.3 0.224 111.6-122.6 -90.5 17.8 27.8 2.5 23.7 284 297 A G E < S+I 281 0A 0 -3,-2.4 -3,-2.3 -35,-0.1 2,-1.2 -0.704 86.9 15.2 83.6-132.5 27.0 5.7 25.6 285 298 A V E S+I 280 0A 14 -141,-2.6 -5,-0.2 -2,-0.4 3,-0.1 -0.730 73.2 173.1 -78.3 98.4 23.4 6.2 26.6 286 299 A E E + 0 0 52 -7,-2.5 2,-0.3 -2,-1.2 -1,-0.2 0.737 64.0 13.7 -82.3 -23.6 22.3 2.6 26.0 287 301 A Q E -I 279 0A 112 -8,-0.8 -8,-2.0 -3,-0.1 2,-0.6 -0.990 58.4-151.1-153.4 140.5 18.8 2.9 27.4 288 302 A V E -I 278 0A 40 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.985 24.3-151.2-114.0 114.7 16.6 5.8 28.4 289 303 A I - 0 0 56 -12,-2.5 2,-0.7 -2,-0.6 -2,-0.0 -0.830 2.6-154.3 -92.8 124.2 14.3 4.6 31.2 290 304 A E - 0 0 95 -2,-0.5 2,-0.2 -14,-0.1 -14,-0.1 -0.897 13.7-138.1-100.4 116.4 10.9 6.3 31.5 291 305 A L - 0 0 17 -2,-0.7 2,-2.3 1,-0.1 -24,-0.1 -0.553 19.9-121.7 -71.2 136.0 9.5 6.2 35.0 292 306 A Q - 0 0 173 -2,-0.2 -1,-0.1 -25,-0.0 2,-0.0 -0.533 44.6-171.6 -79.6 72.8 5.8 5.4 34.9 293 307 A L - 0 0 29 -2,-2.3 2,-0.1 1,-0.1 -26,-0.0 -0.313 18.6-125.5 -67.3 148.8 4.9 8.6 36.7 294 308 A N > - 0 0 61 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.341 37.7 -92.8 -84.5 176.2 1.4 9.3 37.9 295 309 A S H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.869 125.5 51.8 -60.3 -37.7 -0.5 12.5 36.9 296 310 A E H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.925 113.6 43.4 -65.0 -45.5 0.7 14.5 39.9 297 311 A E H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 113.0 53.0 -66.9 -40.5 4.4 13.6 39.3 298 312 A K H X S+ 0 0 77 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.867 104.5 55.8 -63.7 -35.3 4.0 14.2 35.6 299 313 A A H X S+ 0 0 45 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.888 108.9 47.4 -64.2 -38.6 2.6 17.7 36.3 300 314 A K H X S+ 0 0 115 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.902 110.1 52.4 -68.1 -39.2 5.7 18.4 38.3 301 315 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.936 107.2 53.0 -61.7 -44.9 7.9 17.1 35.5 302 316 A D H X S+ 0 0 55 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.873 107.0 52.3 -58.6 -39.0 6.0 19.4 33.0 303 317 A E H X S+ 0 0 87 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.881 109.8 49.0 -65.1 -38.3 6.8 22.4 35.3 304 318 A A H >X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 3,-0.7 0.964 113.0 45.5 -65.1 -51.6 10.5 21.4 35.3 305 319 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.868 105.7 62.8 -59.7 -37.1 10.7 21.1 31.5 306 320 A A H 3X S+ 0 0 51 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.866 102.3 50.7 -55.6 -40.5 8.8 24.4 31.1 307 321 A E H S+ 0 0 100 -4,-2.2 5,-1.0 -5,-0.2 -1,-0.2 0.930 114.5 39.8 -61.4 -47.5 11.7 29.2 28.8 311 325 A M H ><5S+ 0 0 10 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.806 106.5 64.3 -72.8 -28.4 15.5 29.6 29.1 312 326 A K H 3<5S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.885 92.6 62.9 -62.4 -31.5 16.1 27.8 25.9 313 327 A A T 3<5S- 0 0 78 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.335 117.2-124.9 -74.3 12.3 14.2 30.7 24.3 314 328 A L T < 5 0 0 100 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.677 360.0 360.0 47.6 30.5 17.2 32.6 25.7 315 329 A A < 0 0 89 -5,-1.0 -1,-0.2 -217,-0.0 -217,-0.1 -0.356 360.0 360.0-114.8 360.0 15.0 35.0 27.7