==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-JUL-99 1C97 . COMPND 2 MOLECULE: MITOCHONDRIAL ACONITASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.J.LLOYD,H.LAUBLE,G.S.PRASAD,C.D.STOUT . 753 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 49 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 2 0 0 2 3 7 1 3 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 4 7 1 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 PARALLEL BRIDGES PER LADDER . 7 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A R 0 0 140 0, 0.0 2,-0.1 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 128.5 64.7 100.6 83.8 2 3 A A - 0 0 46 13,-0.1 2,-0.4 1,-0.1 16,-0.1 -0.511 360.0-149.1 -70.2 145.5 63.4 100.3 80.2 3 4 A K + 0 0 134 -2,-0.1 2,-0.5 11,-0.1 13,-0.1 -0.738 38.2 150.9-117.0 79.5 59.8 98.8 80.2 4 5 A V - 0 0 23 -2,-0.4 11,-2.4 11,-0.3 2,-0.1 -0.961 42.1-126.9-118.0 118.7 60.0 97.0 76.8 5 6 A A E -A 14 0A 19 -2,-0.5 9,-0.3 9,-0.2 7,-0.1 -0.368 8.8-125.8 -75.2 144.9 57.7 93.9 76.7 6 7 A M E S- 0 0 5 7,-3.2 2,-0.3 4,-0.4 -1,-0.1 0.792 87.2 -13.5 -52.6 -39.3 58.9 90.4 75.7 7 8 A S E > S-A 10 0A 4 3,-0.5 3,-0.8 6,-0.3 6,-0.2 -0.920 72.7 -95.7-154.6 175.0 56.2 90.1 72.9 8 9 A H T 3 S+ 0 0 118 144,-0.3 145,-0.1 -2,-0.3 -2,-0.0 0.350 122.4 55.6 -78.5 1.3 52.9 91.7 71.7 9 10 A F T 3 S+ 0 0 41 143,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.404 106.6 49.0-109.5 -8.3 51.0 89.1 73.7 10 11 A E E X +A 7 0A 10 -3,-0.8 3,-1.6 1,-0.1 -3,-0.5 -0.639 59.7 164.2-131.4 72.4 52.7 89.9 77.1 11 12 A P E 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.842 80.2 48.5 -58.4 -32.8 52.5 93.8 77.5 12 13 A H E 3 S+ 0 0 107 -3,-0.1 2,-0.7 -7,-0.1 -8,-0.0 0.271 91.1 86.4 -84.5 -9.1 53.3 93.5 81.2 13 14 A E E < - 0 0 73 -3,-1.6 -7,-3.2 -6,-0.2 -6,-0.3 -0.894 67.9-158.9-108.1 107.1 56.3 91.0 80.9 14 15 A Y E -A 5 0A 77 -2,-0.7 2,-0.2 -9,-0.3 -9,-0.2 -0.565 21.1-108.3 -97.1 148.1 59.5 93.1 80.4 15 16 A I - 0 0 2 -11,-2.4 2,-0.6 -2,-0.2 -11,-0.3 -0.523 29.0-148.1 -62.4 130.0 62.9 92.2 79.0 16 17 A R > + 0 0 99 -2,-0.2 4,-1.7 1,-0.2 3,-0.3 -0.498 42.4 144.7-106.2 62.9 65.3 92.1 81.8 17 18 A Y H > S+ 0 0 4 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.711 73.9 62.1 -73.9 -21.4 68.7 93.2 80.3 18 19 A D H > S+ 0 0 44 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 103.9 47.2 -59.6 -47.1 69.4 94.9 83.5 19 20 A L H > S+ 0 0 70 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.924 110.8 53.9 -59.9 -46.9 69.3 91.6 85.3 20 21 A L H X S+ 0 0 5 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.938 111.2 43.6 -56.1 -58.3 71.5 90.0 82.6 21 22 A E H X S+ 0 0 67 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.837 111.5 55.0 -55.1 -43.2 74.3 92.7 82.9 22 23 A K H X S+ 0 0 113 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.933 114.1 40.4 -54.1 -48.9 74.1 92.5 86.7 23 24 A N H X S+ 0 0 11 -4,-2.4 4,-2.4 21,-0.3 -2,-0.2 0.891 112.8 54.4 -73.7 -38.6 74.7 88.8 86.6 24 25 A I H X S+ 0 0 1 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.885 111.2 45.2 -57.5 -48.3 77.4 89.0 83.8 25 26 A D H X S+ 0 0 64 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.904 111.7 52.9 -73.7 -31.6 79.5 91.4 85.7 26 27 A I H X S+ 0 0 52 -4,-1.8 4,-0.8 -5,-0.3 -2,-0.2 0.947 115.3 41.1 -58.8 -48.4 79.1 89.4 88.9 27 28 A V H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-1.0 0.913 112.6 53.7 -66.5 -48.0 80.3 86.3 87.1 28 29 A R H 3X S+ 0 0 58 -4,-3.4 4,-2.9 1,-0.3 5,-0.2 0.878 103.0 56.0 -63.3 -33.8 83.0 88.0 85.2 29 30 A K H 3< S+ 0 0 160 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.837 114.0 44.1 -68.3 -17.9 84.5 89.5 88.4 30 31 A R H << S+ 0 0 89 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.845 121.3 35.9 -89.8 -34.7 84.7 85.8 89.6 31 32 A L H < S- 0 0 42 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.2 0.835 84.4-159.3 -89.0 -29.5 86.1 84.2 86.3 32 33 A N < + 0 0 126 -4,-2.9 -3,-0.1 1,-0.2 -4,-0.1 0.898 56.4 91.1 52.6 47.2 88.4 87.2 85.3 33 34 A R S S- 0 0 80 -5,-0.2 -1,-0.2 272,-0.0 -2,-0.1 -0.974 86.5 -71.8-156.9 161.4 88.6 86.3 81.6 34 35 A P - 0 0 51 0, 0.0 271,-0.5 0, 0.0 2,-0.4 -0.296 45.8-144.1 -58.4 140.7 86.7 86.9 78.3 35 36 A L - 0 0 1 269,-0.1 266,-2.6 267,-0.1 269,-0.2 -0.871 8.1-128.5-110.0 141.1 83.3 85.4 78.0 36 37 A T > - 0 0 0 -2,-0.4 4,-1.7 264,-0.2 5,-0.1 -0.247 33.3-103.9 -75.1 170.6 81.9 84.0 74.9 37 38 A L H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.907 122.9 48.8 -66.3 -46.6 78.4 85.1 73.8 38 39 A S H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.884 111.8 52.9 -61.1 -39.2 76.6 81.9 74.9 39 40 A E H > S+ 0 0 3 3,-0.2 4,-2.3 2,-0.2 5,-0.4 0.882 107.8 50.3 -62.3 -34.8 78.5 82.3 78.3 40 41 A K H X S+ 0 0 3 -4,-1.7 4,-2.0 3,-0.2 -2,-0.2 0.981 117.5 38.6 -66.4 -49.2 77.3 85.9 78.7 41 42 A I H < S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.902 122.3 42.6 -67.6 -38.6 73.6 84.9 78.1 42 43 A V H >< S+ 0 0 3 -4,-2.5 3,-1.5 -5,-0.2 -3,-0.2 0.970 120.4 39.4 -74.5 -53.0 73.7 81.6 80.0 43 44 A Y H >< S+ 0 0 2 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.835 110.1 62.0 -70.1 -28.9 75.8 82.8 83.0 44 45 A G T 3< S+ 0 0 1 -4,-2.0 -21,-0.3 -5,-0.4 -1,-0.3 0.577 103.9 50.8 -66.1 -9.7 73.7 86.1 82.9 45 46 A H T < S+ 0 0 21 -3,-1.5 19,-1.5 -4,-0.3 -1,-0.2 0.215 82.2 132.1-111.4 18.5 70.6 83.9 83.6 46 47 A L B < -B 63 0B 5 -3,-1.5 17,-0.2 17,-0.2 -3,-0.1 -0.333 56.5-141.8 -71.4 137.6 72.1 82.1 86.6 47 48 A D S S+ 0 0 68 15,-2.7 -1,-0.1 1,-0.3 16,-0.1 0.896 99.5 21.0 -66.3 -31.8 70.0 81.8 89.6 48 49 A D >> + 0 0 47 14,-0.5 4,-2.2 1,-0.1 3,-0.6 -0.734 68.0 166.9-134.1 75.6 73.0 82.3 91.9 49 50 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 76.3 59.2 -69.7 -20.0 75.8 84.0 89.9 50 51 A A T 34 S+ 0 0 52 1,-0.1 -2,-0.0 3,-0.0 -27,-0.0 0.802 122.8 17.6 -75.6 -29.1 77.8 84.8 93.1 51 52 A N T <4 S+ 0 0 112 -3,-0.6 -1,-0.1 2,-0.1 3,-0.0 0.498 87.3 121.1-122.8 -9.8 78.1 81.1 94.2 52 53 A Q < - 0 0 3 -4,-2.2 2,-0.6 1,-0.1 9,-0.1 -0.332 65.5-126.1 -53.7 129.3 77.4 78.9 91.2 53 54 A E - 0 0 135 7,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.802 31.0-164.1 -78.6 121.1 80.5 76.7 90.4 54 55 A I + 0 0 24 -2,-0.6 2,-0.3 -27,-0.1 6,-0.0 -0.941 26.5 142.6-117.0 111.7 81.1 77.5 86.7 55 56 A E >> - 0 0 109 -2,-0.5 4,-2.1 4,-0.0 3,-1.9 -0.922 51.6-109.1-153.0 124.8 83.4 75.1 84.8 56 57 A R T 34 S- 0 0 27 -2,-0.3 144,-0.2 1,-0.3 145,-0.0 -0.275 97.6 -2.4 -68.1 126.8 82.9 74.1 81.2 57 58 A G T 34 S+ 0 0 32 141,-2.7 -1,-0.3 2,-0.2 143,-0.1 0.463 128.5 67.7 77.9 3.3 81.7 70.6 80.6 58 59 A K T <4 S+ 0 0 128 -3,-1.9 2,-0.2 141,-0.1 -2,-0.2 0.752 82.7 60.5-123.6 -34.1 81.9 69.9 84.3 59 60 A T < - 0 0 24 -4,-2.1 139,-3.5 139,-0.1 2,-0.7 -0.612 69.8-123.9-106.4 157.5 79.3 71.7 86.4 60 61 A Y E - C 0 197B 37 137,-0.3 2,-0.4 -2,-0.2 137,-0.2 -0.827 29.0-144.7 -96.2 108.8 75.5 71.8 86.4 61 62 A L E - C 0 196B 0 135,-2.6 135,-1.7 -2,-0.7 2,-0.7 -0.681 3.4-141.9 -74.7 123.5 74.3 75.4 86.0 62 63 A R E - C 0 195B 73 -2,-0.4 -15,-2.7 133,-0.2 -14,-0.5 -0.831 37.3-179.2 -83.2 111.1 71.1 76.4 87.9 63 64 A L E -BC 46 194B 1 131,-2.8 131,-2.2 -2,-0.7 -17,-0.2 -0.656 35.2-146.1-122.9 164.7 69.3 78.7 85.4 64 65 A R - 0 0 97 -19,-1.5 95,-0.1 -2,-0.2 -2,-0.0 -0.807 22.6-155.3-132.2 87.4 66.2 80.8 85.0 65 66 A P - 0 0 7 0, 0.0 95,-0.2 0, 0.0 3,-0.1 -0.190 16.4-134.2 -59.2 151.3 64.9 80.8 81.4 66 67 A D S S+ 0 0 28 93,-2.7 2,-0.3 1,-0.2 94,-0.2 0.803 80.4 3.7 -75.9 -33.6 62.9 83.8 80.3 67 68 A R E -d 160 0C 1 92,-1.3 94,-1.9 25,-0.1 2,-0.4 -0.980 57.4-137.0-157.7 159.9 60.2 81.6 78.6 68 69 A V E -de 161 94C 0 25,-2.3 27,-1.7 -2,-0.3 2,-0.4 -0.989 17.8-172.0-117.5 123.5 58.9 78.1 77.8 69 70 A A E -de 162 95C 0 92,-2.3 94,-1.7 -2,-0.4 2,-0.3 -0.975 4.9-178.7-120.3 140.3 57.6 77.0 74.3 70 71 A M E - e 0 96C 0 25,-2.5 27,-1.6 -2,-0.4 2,-0.3 -0.950 16.6-144.8-123.0 149.6 55.9 73.6 73.6 71 72 A Q E >> - e 0 97C 7 92,-0.5 4,-2.2 -2,-0.3 3,-0.9 -0.765 35.6-103.1-107.6 166.6 54.5 72.1 70.4 72 73 A D H 3> S+ 0 0 0 25,-2.1 4,-0.5 -2,-0.3 26,-0.1 0.698 115.9 57.2 -67.4 -17.3 51.4 69.9 70.5 73 74 A A H 34 S+ 0 0 0 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.798 122.4 26.6 -76.6 -26.6 53.2 66.5 70.1 74 75 A T H <> S+ 0 0 4 -3,-0.9 4,-1.3 89,-0.2 -2,-0.2 0.547 108.3 74.9-109.7 -6.7 55.3 67.2 73.2 75 76 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.714 85.4 64.1 -76.6 -21.9 52.9 69.5 75.1 76 77 A Q H X S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.955 108.6 37.5 -71.2 -40.9 50.4 66.8 76.2 77 78 A M H > S+ 0 0 0 502,-0.3 4,-2.0 -4,-0.2 5,-0.2 0.892 115.2 54.9 -75.6 -38.7 52.8 64.9 78.4 78 79 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.954 112.4 43.9 -59.5 -43.3 54.5 68.2 79.7 79 80 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.895 108.8 56.7 -73.6 -33.5 50.9 69.6 80.8 80 81 A L H X S+ 0 0 6 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.956 112.4 41.7 -57.0 -46.2 49.9 66.3 82.3 81 82 A Q H X S+ 0 0 8 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.845 112.8 54.9 -69.4 -30.8 53.0 66.4 84.5 82 83 A F H >X>S+ 0 0 0 -4,-2.0 4,-0.7 -5,-0.2 3,-0.7 0.933 103.5 54.7 -71.5 -40.2 52.4 70.2 85.1 83 84 A I H ><5S+ 0 0 41 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.960 101.9 60.4 -55.2 -45.7 48.8 69.5 86.4 84 85 A S H 3<5S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 91.8 64.0 -50.0 -38.4 50.4 67.0 88.9 85 86 A S H <<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.862 100.4-141.0 -57.1 -21.1 52.5 69.9 90.5 86 87 A G T <<5 + 0 0 56 -3,-2.0 -2,-0.1 -4,-0.7 -3,-0.1 0.644 49.1 149.6 67.5 15.6 49.0 71.2 91.4 87 88 A L < - 0 0 52 -5,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.625 41.2-148.1 -78.0 141.7 50.4 74.7 90.6 88 89 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.615 73.6 25.3 -90.3 -11.6 47.6 77.0 89.3 89 90 A K S S- 0 0 89 100,-0.1 45,-0.2 45,-0.1 2,-0.2 -0.952 84.8-105.3-148.0 147.9 49.4 79.2 87.0 90 91 A V - 0 0 8 43,-2.4 100,-0.2 -2,-0.3 99,-0.1 -0.542 25.0-137.1 -75.1 150.8 52.7 78.8 85.0 91 92 A A S S+ 0 0 64 98,-2.2 98,-0.1 97,-0.2 -1,-0.1 0.669 81.9 30.3 -85.4 -13.5 55.6 80.8 86.4 92 93 A V S S- 0 0 29 97,-0.1 -25,-0.1 -24,-0.0 2,-0.1 -0.934 104.0 -75.9-134.5 159.8 57.0 82.2 83.1 93 94 A P + 0 0 15 0, 0.0 -25,-2.3 0, 0.0 2,-0.3 -0.349 60.9 179.2 -55.0 126.1 55.5 83.1 79.8 94 95 A S E -e 68 0C 2 40,-0.4 42,-2.2 -27,-0.2 2,-0.3 -0.985 11.8-163.3-136.5 137.6 54.8 79.8 78.1 95 96 A T E -ef 69 136C 0 -27,-1.7 -25,-2.5 -2,-0.3 2,-0.4 -0.935 12.3-152.0-129.9 154.4 53.2 78.8 74.7 96 97 A I E -ef 70 137C 0 40,-2.2 42,-2.9 -2,-0.3 2,-0.5 -0.973 14.4-161.8-116.6 136.1 51.7 75.8 73.0 97 98 A H E -ef 71 138C 0 -27,-1.6 -25,-2.1 -2,-0.4 2,-1.4 -0.988 12.4-146.2-123.9 121.7 52.0 75.6 69.2 98 99 A C + 0 0 0 40,-2.2 43,-0.5 -2,-0.5 45,-0.2 -0.543 59.8 114.9 -91.4 72.1 49.7 73.2 67.3 99 100 A D + 0 0 0 -2,-1.4 321,-1.8 41,-0.1 322,-0.6 0.587 56.8 66.3-111.2 -16.9 52.0 72.2 64.4 100 101 A H S S+ 0 0 16 -3,-0.3 -1,-0.1 1,-0.2 476,-0.1 0.489 90.9 55.3 -92.7 -5.2 52.7 68.5 64.7 101 102 A L S S+ 0 0 6 2,-0.1 2,-0.7 475,-0.0 -1,-0.2 0.199 74.0 107.6-116.6 15.7 49.4 66.7 64.2 102 103 A I - 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0 0 2 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.230 32.1-103.2 -69.1 164.0 70.0 87.4 56.8 249 250 A C H > S+ 0 0 0 25,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.888 123.1 48.5 -59.5 -40.5 68.4 86.8 60.2 250 251 A T H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.764 110.1 53.4 -73.2 -20.4 66.3 83.8 58.9 251 252 A G H > S+ 0 0 3 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.880 107.4 49.6 -75.9 -38.2 69.5 82.4 57.3 252 253 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.874 110.2 52.5 -63.2 -38.9 71.3 82.6 60.7 253 254 A A H X S+ 0 0 2 -4,-1.9 4,-2.8 -81,-0.2 -2,-0.2 0.890 107.3 51.3 -64.8 -38.7 68.2 80.8 62.1 254 255 A T H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.919 112.0 47.1 -59.5 -46.2 68.5 78.0 59.4 255 256 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 115.3 44.8 -62.9 -42.4 72.3 77.6 60.4 256 257 A C H >< S+ 0 0 0 -4,-2.2 3,-0.9 -87,-0.2 4,-0.2 0.918 110.7 56.5 -69.7 -41.7 71.4 77.5 64.2 257 258 A N H >< S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.945 106.7 44.8 -54.1 -61.4 68.4 75.1 63.7 258 259 A M G >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.3 -1,-0.3 0.504 88.5 88.9 -74.8 5.6 70.2 72.3 61.9 259 260 A G G X >S+ 0 0 1 -3,-0.9 3,-1.4 1,-0.2 5,-1.3 0.735 73.8 75.2 -62.4 -22.7 73.0 72.6 64.6 260 261 A A G X 5S+ 0 0 15 -3,-2.2 3,-1.5 1,-0.2 380,-0.3 0.824 82.8 66.1 -56.4 -32.2 70.7 70.1 66.3 261 262 A E G < 5S+ 0 0 8 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.561 96.9 51.7 -72.5 -14.4 72.0 67.4 63.9 262 263 A I G < 5S- 0 0 1 -3,-1.4 -30,-2.5 -4,-0.2 -29,-0.4 0.295 119.4-109.0 -98.6 9.6 75.6 67.6 65.3 263 264 A G T < 5 + 0 0 26 -3,-1.5 -29,-0.7 1,-0.2 -28,-0.3 0.672 61.1 163.0 82.2 8.9 74.2 67.1 69.0 264 265 A A B < -N 233 0G 9 -5,-1.3 -28,-0.2 -31,-0.2 -1,-0.2 -0.271 48.5-129.8 -63.2 139.9 75.0 70.7 70.0 265 266 A T S S- 0 0 3 -30,-2.4 -86,-0.5 -33,-0.6 2,-0.3 0.872 82.3 -46.1 -57.4 -36.6 73.3 72.0 73.1 266 267 A T E -m 236 0F 0 -31,-0.7 -29,-2.2 -88,-0.1 -1,-0.3 -0.916 55.9-123.7 179.4 172.1 72.3 75.1 70.9 267 268 A S E -m 237 0F 1 -90,-0.3 -90,-0.3 -99,-0.3 2,-0.3 -0.919 25.2-170.0-129.0 150.3 73.8 77.4 68.3 268 269 A V E -m 238 0F 0 -31,-2.6 -29,-2.2 -2,-0.3 -96,-0.1 -0.996 16.2-154.3-150.1 147.9 74.0 81.3 68.4 269 270 A F - 0 0 0 -98,-1.8 -29,-0.1 -2,-0.3 2,-0.1 -0.902 35.5-103.9-109.6 150.1 74.9 84.4 66.3 270 271 A P - 0 0 21 0, 0.0 29,-0.2 0, 0.0 5,-0.2 -0.430 46.0 -91.8 -73.9 146.3 76.0 87.8 67.8 271 272 A Y + 0 0 4 27,-2.1 2,-0.3 -97,-0.2 27,-0.1 -0.305 66.5 151.1 -57.6 128.0 73.5 90.7 67.8 272 273 A N > - 0 0 11 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.860 57.4 -75.5-148.6-173.3 73.9 92.7 64.6 273 274 A H H > S+ 0 0 114 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.882 122.2 50.7 -58.2 -50.4 72.3 94.8 61.9 274 275 A R H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -25,-0.3 0.864 110.6 51.6 -65.6 -32.9 70.4 92.1 60.0 275 276 A M H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.963 109.3 51.6 -62.4 -42.4 68.9 91.0 63.4 276 277 A K H X S+ 0 0 67 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.893 109.3 48.4 -57.4 -45.9 67.9 94.7 63.9 277 278 A K H X S+ 0 0 76 -4,-2.3 4,-2.5 2,-0.2 -1,-0.3 0.840 109.9 52.3 -64.4 -35.6 66.2 94.8 60.6 278 279 A Y H X S+ 0 0 3 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.928 110.2 48.4 -71.5 -39.5 64.3 91.6 61.2 279 280 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 3,-1.0 0.930 113.2 47.1 -59.6 -52.1 63.0 92.9 64.6 280 281 A S H ><5S+ 0 0 51 -4,-2.5 3,-1.6 1,-0.3 5,-0.3 0.865 108.6 54.1 -56.3 -47.9 61.9 96.1 63.1 281 282 A K H 3<5S+ 0 0 60 -4,-2.5 228,-0.4 1,-0.3 -1,-0.3 0.714 109.6 51.5 -60.7 -17.5 60.2 94.3 60.1 282 283 A T T <<5S- 0 0 17 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 -0.024 124.9 -96.1-110.8 33.0 58.3 92.3 62.7 283 284 A G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 1,-0.1 3,-0.2 0.682 98.9 107.5 72.4 18.1 56.9 95.2 64.9 284 285 A R >< + 0 0 3 -5,-2.3 4,-1.8 -6,-0.2 3,-0.4 -0.370 23.0 130.4-123.1 38.6 59.7 94.9 67.4 285 286 A A H > S+ 0 0 44 -5,-0.3 4,-2.2 -6,-0.2 -5,-0.2 0.829 74.5 59.9 -61.6 -31.4 61.7 98.0 66.6 286 287 A D H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.838 103.3 49.0 -63.1 -32.2 61.6 98.8 70.4 287 288 A I H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.895 111.2 50.8 -73.9 -42.2 63.4 95.5 71.2 288 289 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.847 109.1 50.8 -60.4 -40.3 66.0 96.3 68.6 289 290 A N H X S+ 0 0 96 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.915 113.2 44.8 -65.0 -43.7 66.5 99.8 70.1 290 291 A L H X S+ 0 0 12 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.905 111.1 54.3 -65.7 -37.0 67.0 98.3 73.6 291 292 A A H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.855 104.9 54.1 -63.5 -36.2 69.3 95.6 72.2 292 293 A D H >< S+ 0 0 58 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.846 106.2 52.8 -62.5 -40.2 71.4 98.4 70.7 293 294 A E H 3< S+ 0 0 143 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.777 121.0 31.4 -66.3 -30.7 71.7 100.0 74.1 294 295 A F T >< S+ 0 0 30 -4,-1.3 3,-2.1 1,-0.1 4,-0.4 0.190 77.8 121.9-110.9 16.7 72.9 96.6 75.6 295 296 A K G X + 0 0 77 -3,-0.5 3,-0.8 -4,-0.3 4,-0.2 0.690 64.5 73.4 -54.1 -21.6 74.8 95.2 72.6 296 297 A D G 3 S+ 0 0 93 1,-0.2 3,-0.5 -3,-0.2 -1,-0.3 0.880 104.1 39.4 -51.6 -42.6 78.0 95.1 74.8 297 298 A H G < S+ 0 0 13 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.441 110.1 61.1 -89.3 -6.9 76.4 92.1 76.5 298 299 A L S < S+ 0 0 3 -3,-0.8 -27,-2.1 -4,-0.4 -1,-0.2 0.165 98.4 56.0-115.0 17.7 75.0 90.6 73.3 299 300 A V S S- 0 0 40 -3,-0.5 -27,-0.0 -29,-0.2 -30,-0.0 -0.914 96.2 -86.1-138.4 156.2 78.2 90.0 71.4 300 301 A P - 0 0 35 0, 0.0 -264,-0.2 0, 0.0 -2,-0.1 -0.295 44.5-106.0 -61.3 152.7 81.3 87.9 72.5 301 302 A D > - 0 0 20 -266,-2.6 3,-1.7 1,-0.1 -264,-0.1 -0.656 46.0 -92.5 -74.7 144.2 84.1 89.5 74.6 302 303 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -267,-0.1 -0.245 111.2 14.5 -56.7 130.3 87.3 90.2 72.7 303 304 A G T 3 S+ 0 0 74 1,-0.2 -267,-0.1 -269,-0.1 -2,-0.0 0.554 83.6 168.3 82.0 13.7 89.6 87.4 73.0 304 305 A C < - 0 0 18 -3,-1.7 2,-0.4 -269,-0.2 -1,-0.2 -0.296 35.4-118.4 -66.6 139.5 87.1 84.8 74.3 305 306 A H - 0 0 121 -271,-0.5 2,-0.4 -269,-0.0 -269,-0.2 -0.676 24.2-162.3 -86.2 127.7 88.4 81.2 74.3 306 307 A Y - 0 0 30 -2,-0.4 -104,-0.2 1,-0.1 3,-0.1 -0.900 16.9-142.0-106.2 139.2 86.6 78.6 72.2 307 308 A D S S+ 0 0 48 -106,-2.0 2,-0.3 -2,-0.4 -105,-0.2 0.944 89.7 12.9 -68.9 -41.8 87.1 74.9 72.9 308 309 A Q E S-l 202 0F 70 -107,-1.2 -105,-2.8 -3,-0.1 2,-0.4 -0.944 72.7-161.5-127.3 139.3 87.1 73.9 69.3 309 310 A V E +l 203 0F 95 -2,-0.3 2,-0.3 -107,-0.2 -105,-0.2 -0.968 8.5 179.4-132.0 132.9 87.3 76.3 66.3 310 311 A I E -l 204 0F 25 -107,-2.1 -105,-2.7 -2,-0.4 2,-0.4 -0.880 15.3-147.7-116.1 142.3 86.4 75.6 62.7 311 312 A E E -l 205 0F 116 -2,-0.3 2,-0.4 -107,-0.2 -105,-0.2 -0.981 10.1-171.1-123.4 134.9 86.6 78.1 59.8 312 313 A I E -l 206 0F 13 -107,-2.7 -105,-2.3 -2,-0.4 2,-1.0 -0.992 15.5-150.6-124.0 122.2 84.3 78.4 56.8 313 314 A N E >> -l 207 0F 68 -2,-0.4 3,-1.7 -107,-0.2 4,-0.6 -0.869 13.1-161.3 -91.0 102.2 85.1 80.7 53.8 314 315 A L G >4 S+ 0 0 0 -107,-3.5 3,-0.6 -2,-1.0 -103,-0.5 0.767 85.3 61.3 -52.9 -35.9 81.6 81.5 52.7 315 316 A S G 34 S+ 0 0 44 -108,-0.4 -1,-0.3 1,-0.2 -107,-0.1 0.670 107.4 44.9 -70.9 -15.3 82.7 82.7 49.2 316 317 A E G <4 S+ 0 0 137 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.484 87.6 114.0-103.9 -5.3 84.2 79.2 48.5 317 318 A L << - 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