==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-MAR-11 3R5H . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE, ATPASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR L.W.FUNG,M.L.TUNTLAND,B.D.SANTARSIERO,M.E.JOHNSON . 760 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 18.7 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 60 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 4 0 0 2 11 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 2 0 4 6 6 2 2 0 2 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 . 0 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.0 -3.6 21.2 21.2 2 2 A T + 0 0 118 2,-0.1 2,-0.3 197,-0.0 198,-0.1 0.221 360.0 134.4-106.2 6.5 -1.7 19.5 24.0 3 3 A R - 0 0 136 196,-0.1 2,-0.4 1,-0.0 196,-0.1 -0.424 36.9-166.7 -67.9 123.3 -4.6 17.1 24.5 4 4 A I - 0 0 58 -2,-0.3 2,-0.7 195,-0.0 294,-0.2 -0.880 19.1-149.3-117.4 139.6 -3.7 13.5 24.8 5 5 A I - 0 0 9 292,-2.1 3,-0.1 -2,-0.4 294,-0.0 -0.917 29.1-147.6-106.8 105.3 -5.8 10.4 24.7 6 6 A L > - 0 0 48 -2,-0.7 3,-2.0 1,-0.1 702,-0.0 -0.323 25.5 -88.0 -76.6 150.7 -4.1 7.9 27.0 7 7 A P T 3 S+ 0 0 14 0, 0.0 25,-0.2 0, 0.0 24,-0.1 -0.245 115.5 46.9 -45.9 141.6 -4.0 4.1 26.6 8 8 A G T 3 S+ 0 0 50 23,-0.5 24,-0.1 1,-0.5 23,-0.1 0.013 89.3 110.3 103.0 -27.6 -7.0 2.6 28.2 9 9 A K S < S- 0 0 85 -3,-2.0 24,-2.9 1,-0.1 2,-0.5 -0.264 75.0-102.7 -69.8 168.3 -9.4 5.1 26.6 10 10 A T E -a 33 0A 15 22,-0.2 61,-2.2 -3,-0.1 62,-1.2 -0.825 23.4-154.8 -99.4 127.4 -11.8 4.1 23.8 11 11 A I E -ab 34 72A 0 22,-3.6 24,-2.6 -2,-0.5 2,-0.5 -0.907 12.2-151.5 -97.6 123.0 -11.2 4.9 20.2 12 12 A G E -ab 35 73A 0 60,-3.1 62,-2.6 -2,-0.6 2,-0.5 -0.817 10.0-162.8 -94.7 128.5 -14.4 5.1 18.1 13 13 A I E -ab 36 74A 0 22,-3.1 24,-2.3 -2,-0.5 2,-0.8 -0.958 12.8-147.8-116.3 128.0 -14.1 4.2 14.5 14 14 A I E S+ab 37 75A 0 60,-2.1 62,-2.7 -2,-0.5 63,-2.1 -0.844 79.0 28.8 -92.4 108.6 -16.7 5.1 11.8 15 15 A G - 0 0 0 22,-3.1 23,-0.2 -2,-0.8 22,-0.1 0.235 66.1-144.1 107.5 127.0 -16.6 2.3 9.3 16 16 A G + 0 0 0 20,-0.1 29,-2.5 4,-0.1 30,-0.4 0.022 55.9 118.1-115.2 28.0 -15.7 -1.4 10.1 17 17 A G S > S- 0 0 13 27,-0.2 4,-2.0 26,-0.2 5,-0.1 0.072 86.9 -72.0 -72.8-164.1 -13.9 -2.5 6.9 18 18 A Q H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.814 130.6 57.8 -68.0 -33.4 -10.2 -3.7 6.9 19 19 A L H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 110.1 44.4 -60.7 -49.8 -8.8 -0.2 7.4 20 20 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.884 112.3 54.1 -58.5 -40.0 -10.7 0.1 10.7 21 21 A R H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.938 110.4 44.0 -61.5 -48.0 -9.8 -3.5 11.6 22 22 A M H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.866 112.5 52.7 -69.0 -35.0 -6.0 -2.8 11.2 23 23 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.934 111.2 48.8 -55.3 -51.7 -6.3 0.5 13.1 24 24 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.896 108.6 50.9 -58.5 -44.8 -8.1 -1.4 15.9 25 25 A L H X S+ 0 0 8 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.883 112.0 49.0 -65.6 -36.1 -5.4 -4.1 16.0 26 26 A A H X S+ 0 0 20 -4,-1.8 4,-0.8 2,-0.2 3,-0.3 0.916 111.7 48.3 -63.6 -46.8 -2.7 -1.4 16.3 27 27 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 3,-0.6 0.870 105.4 59.7 -64.5 -37.6 -4.6 0.4 19.0 28 28 A K H ><5S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.832 95.6 60.2 -60.5 -37.7 -5.1 -2.9 21.0 29 29 A E H 3<5S+ 0 0 38 -4,-1.2 692,-1.8 -3,-0.3 -1,-0.2 0.846 107.8 48.2 -59.5 -31.8 -1.3 -3.5 21.4 30 30 A M T <<5S- 0 0 7 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.352 124.9-104.6 -89.3 4.1 -1.2 -0.2 23.2 31 31 A G T < 5 + 0 0 10 -3,-1.6 -23,-0.5 690,-0.3 -3,-0.2 0.671 68.5 147.7 84.1 17.6 -4.2 -1.1 25.4 32 32 A Y < - 0 0 2 -5,-2.1 2,-0.3 -25,-0.2 -1,-0.3 -0.550 43.7-128.8 -79.6 153.2 -6.9 1.1 23.8 33 33 A K E -a 10 0A 84 -24,-2.9 -22,-3.6 -2,-0.2 2,-0.4 -0.722 23.3-141.6 -94.7 152.2 -10.5 0.0 23.7 34 34 A I E -a 11 0A 0 -2,-0.3 17,-2.0 -24,-0.2 16,-1.9 -0.958 18.9-178.2-123.7 128.7 -12.3 0.0 20.4 35 35 A A E -ac 12 51A 0 -24,-2.6 -22,-3.1 -2,-0.4 2,-0.4 -0.980 14.9-167.2-117.3 138.8 -15.9 1.0 19.4 36 36 A V E -ac 13 52A 0 15,-2.6 17,-2.8 -2,-0.4 2,-0.5 -0.963 15.5-159.5-129.7 143.0 -17.0 0.6 15.8 37 37 A L E +ac 14 53A 0 -24,-2.3 -22,-3.1 -2,-0.4 17,-0.2 -0.989 28.9 149.6-118.3 124.0 -20.0 1.8 13.8 38 38 A D E - c 0 54A 17 15,-1.9 17,-1.3 -2,-0.5 18,-0.1 -0.985 50.7-124.1-152.0 146.8 -20.7 -0.1 10.5 39 39 A P S S+ 0 0 57 0, 0.0 2,-0.4 0, 0.0 17,-0.1 0.622 94.4 58.6 -72.5 -9.8 -24.0 -0.8 8.6 40 40 A T S > S- 0 0 98 15,-0.1 3,-0.7 16,-0.0 15,-0.1 -0.965 84.9-119.0-125.6 136.0 -23.4 -4.6 8.7 41 41 A K T 3 S+ 0 0 143 -2,-0.4 12,-0.0 1,-0.2 5,-0.0 -0.262 94.4 24.1 -64.7 153.5 -23.0 -6.9 11.7 42 42 A N T 3 S+ 0 0 64 1,-0.1 -1,-0.2 4,-0.1 299,-0.2 0.782 81.5 172.1 60.5 30.8 -19.7 -8.9 12.1 43 43 A S <> - 0 0 9 -3,-0.7 4,-1.8 1,-0.1 -26,-0.2 -0.238 50.0-100.3 -61.0 158.1 -17.6 -6.4 10.0 44 44 A P T 4 S+ 0 0 10 0, 0.0 -27,-0.2 0, 0.0 4,-0.1 0.854 126.7 44.7 -49.8 -40.3 -13.8 -7.0 10.0 45 45 A C T >> S+ 0 0 0 -29,-2.5 3,-2.1 1,-0.2 4,-0.7 0.896 106.9 58.2 -72.5 -39.8 -13.4 -4.2 12.6 46 46 A A G >4 S+ 0 0 14 -30,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.815 95.6 65.6 -60.2 -30.0 -16.3 -5.5 14.7 47 47 A Q G 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.590 113.4 31.9 -66.0 -14.4 -14.4 -8.8 15.0 48 48 A V G <4 S+ 0 0 4 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.332 102.3 100.8-120.8 -0.2 -11.7 -7.0 17.0 49 49 A A << - 0 0 22 -4,-0.7 -14,-0.2 -3,-0.6 3,-0.1 -0.528 62.9-145.5 -90.1 155.0 -13.8 -4.3 18.7 50 50 A D S S+ 0 0 50 -16,-1.9 2,-0.4 1,-0.3 -15,-0.2 0.828 92.0 32.0 -78.0 -35.9 -15.1 -4.2 22.2 51 51 A I E -c 35 0A 51 -17,-2.0 -15,-2.6 2,-0.0 2,-0.4 -0.989 68.1-166.1-131.8 128.2 -18.3 -2.4 21.2 52 52 A E E -c 36 0A 66 -2,-0.4 2,-0.5 -17,-0.2 -15,-0.2 -0.962 3.0-172.2-115.8 129.0 -20.2 -2.8 17.9 53 53 A I E -c 37 0A 17 -17,-2.8 -15,-1.9 -2,-0.4 2,-0.8 -0.980 12.7-154.5-118.2 114.8 -22.9 -0.4 16.7 54 54 A V E +c 38 0A 68 -2,-0.5 2,-0.3 -17,-0.2 -13,-0.1 -0.806 42.2 115.8 -94.1 111.1 -24.8 -1.6 13.6 55 55 A A - 0 0 16 -17,-1.3 -15,-0.1 -2,-0.8 2,-0.1 -0.983 65.2 -80.3-164.4 166.7 -26.2 1.4 11.7 56 56 A S > - 0 0 56 -2,-0.3 3,-1.4 -17,-0.1 7,-0.2 -0.417 39.4-121.8 -73.0 149.2 -26.2 3.5 8.6 57 57 A Y T 3 S+ 0 0 39 1,-0.3 24,-0.1 -2,-0.1 -1,-0.1 0.801 112.1 51.7 -65.0 -29.8 -23.5 6.1 8.2 58 58 A D T 3 S+ 0 0 100 22,-0.1 2,-1.1 4,-0.0 -1,-0.3 0.406 79.5 110.8 -89.7 4.6 -26.0 8.9 7.8 59 59 A D <> - 0 0 66 -3,-1.4 4,-2.1 1,-0.2 3,-0.4 -0.678 49.9-169.5 -80.3 98.7 -27.9 7.9 11.0 60 60 A L H > S+ 0 0 26 -2,-1.1 4,-3.0 1,-0.2 5,-0.2 0.875 82.6 57.7 -60.9 -40.2 -27.0 10.8 13.4 61 61 A K H > S+ 0 0 162 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 109.1 45.5 -53.8 -44.1 -28.5 9.1 16.5 62 62 A A H > S+ 0 0 9 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.900 112.7 50.7 -68.1 -43.0 -26.1 6.1 15.9 63 63 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.895 110.0 50.4 -56.1 -46.6 -23.1 8.5 15.3 64 64 A Q H X S+ 0 0 57 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.910 108.6 52.2 -61.5 -42.6 -24.0 10.3 18.5 65 65 A H H X S+ 0 0 79 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.903 110.5 47.4 -61.5 -42.7 -24.1 7.0 20.4 66 66 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.953 113.9 48.0 -60.2 -48.4 -20.6 6.1 19.0 67 67 A A H >< S+ 0 0 8 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.916 105.2 60.1 -59.8 -44.1 -19.3 9.6 20.0 68 68 A E H 3< S+ 0 0 147 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.698 112.1 37.6 -54.1 -30.5 -20.9 9.4 23.5 69 69 A I T << S+ 0 0 56 -3,-1.0 2,-0.4 -4,-0.8 -1,-0.3 0.278 104.1 85.8-107.9 8.3 -18.8 6.3 24.4 70 70 A S < - 0 0 15 -3,-1.7 23,-0.2 -4,-0.4 -59,-0.2 -0.899 57.4-157.4-117.4 139.1 -15.6 7.3 22.7 71 71 A D S S+ 0 0 62 -61,-2.2 2,-0.3 -2,-0.4 -60,-0.2 0.723 90.6 10.4 -83.4 -21.5 -12.7 9.4 24.0 72 72 A V E S-b 11 0A 0 -62,-1.2 -60,-3.1 22,-0.1 2,-0.4 -0.974 73.4-148.3-153.6 145.2 -11.7 10.1 20.4 73 73 A V E +b 12 0A 0 20,-3.0 23,-0.4 -2,-0.3 2,-0.3 -0.944 19.2 165.4-120.3 139.7 -13.3 9.4 17.1 74 74 A T E -b 13 0A 0 -62,-2.6 -60,-2.1 -2,-0.4 2,-0.3 -0.860 20.1-138.4-137.6 175.4 -11.8 8.7 13.7 75 75 A Y E -b 14 0A 5 -2,-0.3 -60,-0.2 -62,-0.2 3,-0.1 -0.953 25.8-178.6-135.1 149.9 -13.2 7.4 10.4 76 76 A E S S+ 0 0 20 -62,-2.7 2,-0.5 -2,-0.3 -61,-0.2 0.469 78.7 79.5-107.8 -26.5 -12.2 5.0 7.7 77 77 A F - 0 0 30 -63,-2.1 3,-0.3 1,-0.2 -63,-0.1 -0.710 63.0-169.6 -81.4 125.3 -15.4 5.7 5.7 78 78 A E + 0 0 25 -2,-0.5 2,-1.2 1,-0.2 -1,-0.2 0.801 67.1 78.7 -83.9 -34.2 -14.9 9.0 3.9 79 79 A N + 0 0 115 26,-0.0 2,-0.2 2,-0.0 -1,-0.2 0.009 57.9 144.9 -78.8 35.8 -18.4 9.8 2.6 80 80 A I - 0 0 12 -2,-1.2 -22,-0.1 -3,-0.3 -5,-0.0 -0.520 49.6-119.3 -73.5 133.1 -19.8 11.2 6.0 81 81 A D > - 0 0 59 -2,-0.2 4,-2.3 -24,-0.1 3,-0.2 -0.184 19.9-105.7 -78.2 167.9 -22.2 14.0 5.4 82 82 A Y H > S+ 0 0 163 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.830 115.0 55.2 -61.2 -35.2 -21.8 17.6 6.7 83 83 A R H > S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 113.0 41.9 -70.0 -37.7 -24.4 17.4 9.5 84 84 A C H > S+ 0 0 0 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.894 114.4 51.9 -70.3 -40.9 -22.7 14.4 11.1 85 85 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.912 112.2 45.6 -62.7 -44.7 -19.2 15.8 10.6 86 86 A Q H X S+ 0 0 135 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.895 110.9 52.3 -66.7 -41.7 -20.2 19.1 12.2 87 87 A W H X S+ 0 0 56 -4,-1.7 4,-2.9 -5,-0.2 5,-0.4 0.966 113.1 45.1 -56.6 -51.8 -21.9 17.4 15.1 88 88 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.918 110.8 53.4 -57.4 -49.2 -18.8 15.3 15.8 89 89 A E H < S+ 0 0 71 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.876 121.1 30.5 -53.9 -40.2 -16.4 18.2 15.5 90 90 A K H < S+ 0 0 154 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.764 130.7 31.5 -97.6 -23.7 -18.3 20.3 18.0 91 91 A H H < S+ 0 0 132 -4,-2.9 2,-0.2 -5,-0.3 -3,-0.2 0.531 121.4 32.7-115.7 -12.7 -19.8 17.6 20.4 92 92 A A S < S- 0 0 25 -4,-2.4 2,-0.8 -5,-0.4 -21,-0.1 -0.660 94.4 -88.6-125.3-170.9 -17.2 14.8 20.3 93 93 A Y + 0 0 31 -23,-0.2 -20,-3.0 -2,-0.2 -4,-0.1 -0.894 51.1 158.0-108.0 102.5 -13.4 14.7 19.9 94 94 A L > + 0 0 10 -2,-0.8 3,-2.2 -5,-0.3 -20,-0.1 -0.732 11.0 177.5-120.4 77.8 -12.6 14.5 16.2 95 95 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.736 77.1 63.6 -59.8 -26.4 -9.0 15.8 15.9 96 96 A Q T 3 S- 0 0 19 -23,-0.4 4,-0.4 1,-0.1 153,-0.3 0.727 93.7-161.6 -64.5 -24.3 -8.8 15.2 12.1 97 97 A G < - 0 0 12 -3,-2.2 -1,-0.1 1,-0.2 4,-0.1 -0.150 27.2 -93.3 66.5-165.2 -11.6 17.8 11.7 98 98 A S S > S+ 0 0 25 2,-0.1 4,-2.2 3,-0.1 -1,-0.2 0.459 100.0 88.2-126.4 -5.3 -13.7 18.0 8.6 99 99 A Q H > S+ 0 0 101 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.947 93.6 41.3 -65.9 -52.0 -11.8 20.5 6.5 100 100 A L H >> S+ 0 0 11 -4,-0.4 4,-1.3 1,-0.2 3,-0.5 0.913 114.4 53.0 -60.8 -43.6 -9.5 18.1 4.8 101 101 A L H 3> S+ 0 0 2 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.885 107.5 52.2 -62.2 -36.0 -12.2 15.6 4.3 102 102 A S H 3< S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.735 108.3 51.7 -73.1 -23.1 -14.4 18.3 2.6 103 103 A K H << S+ 0 0 59 -4,-1.2 3,-0.3 -3,-0.5 -1,-0.2 0.747 109.3 49.2 -80.8 -22.2 -11.6 19.1 0.2 104 104 A T H < S+ 0 0 14 -4,-1.3 -2,-0.2 -3,-0.4 165,-0.2 0.514 89.6 76.0-101.4 -3.5 -11.0 15.5 -0.9 105 105 A Q S < S+ 0 0 64 -4,-0.7 2,-0.5 1,-0.1 46,-0.3 0.697 94.4 53.6 -81.4 -16.4 -14.5 14.3 -1.8 106 106 A N S > S- 0 0 30 -3,-0.3 4,-2.7 -4,-0.2 44,-0.2 -0.981 72.9-147.0-125.5 125.9 -14.7 16.3 -5.1 107 107 A R H > S+ 0 0 46 42,-2.3 4,-2.4 -2,-0.5 5,-0.1 0.860 100.6 47.6 -59.7 -41.6 -12.0 15.9 -7.7 108 108 A F H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 113.6 46.8 -64.8 -49.6 -12.3 19.5 -8.9 109 109 A T H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 112.6 51.6 -58.0 -42.0 -12.2 20.9 -5.3 110 110 A E H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 109.7 48.2 -61.1 -50.4 -9.2 18.6 -4.5 111 111 A K H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.881 110.9 51.6 -60.4 -40.2 -7.2 19.8 -7.5 112 112 A N H X S+ 0 0 70 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 111.2 47.3 -59.3 -46.2 -8.0 23.4 -6.7 113 113 A A H X S+ 0 0 17 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.855 110.3 52.5 -65.6 -37.5 -6.7 22.9 -3.1 114 114 A I H <>S+ 0 0 1 -4,-2.3 5,-2.1 2,-0.2 -2,-0.2 0.929 113.0 44.1 -64.1 -45.5 -3.5 21.1 -4.4 115 115 A E H ><5S+ 0 0 94 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.885 110.0 55.1 -66.3 -40.0 -2.7 24.0 -6.7 116 116 A K H 3<5S+ 0 0 171 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 103.3 57.1 -60.1 -35.6 -3.5 26.5 -4.0 117 117 A A T 3<5S- 0 0 11 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.491 126.5-104.9 -71.3 -5.7 -1.0 24.6 -1.8 118 118 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.628 77.3 129.3 91.2 18.6 1.6 25.3 -4.6 119 119 A L < - 0 0 14 -5,-2.1 -1,-0.3 122,-0.0 2,-0.2 -0.745 55.9-110.3-111.3 152.2 1.8 21.8 -6.2 120 120 A P + 0 0 42 0, 0.0 146,-2.2 0, 0.0 2,-0.3 -0.554 35.3 167.7 -84.7 144.2 1.5 20.6 -9.8 121 121 A V - 0 0 11 144,-0.2 146,-0.1 -2,-0.2 3,-0.1 -0.922 46.6 -77.6-138.8 163.9 -1.4 18.6 -11.3 122 122 A A - 0 0 7 144,-0.4 62,-0.1 -2,-0.3 63,-0.1 -0.364 63.3 -92.0 -57.3 141.4 -2.5 17.6 -14.8 123 123 A T - 0 0 57 59,-0.1 60,-3.2 61,-0.1 2,-0.3 -0.396 60.3-178.5 -59.6 134.5 -4.2 20.6 -16.5 124 124 A Y E -D 182 0B 19 58,-0.3 2,-0.3 -3,-0.1 58,-0.2 -0.950 22.5-160.6-143.8 154.2 -8.0 20.1 -15.8 125 125 A R E -D 181 0B 95 56,-2.0 56,-2.7 -2,-0.3 2,-0.2 -0.998 27.8-114.7-140.6 138.3 -11.4 21.8 -16.5 126 126 A L E -D 180 0B 40 -2,-0.3 2,-0.5 54,-0.2 54,-0.2 -0.519 26.6-159.8 -72.3 137.7 -14.7 21.5 -14.7 127 127 A V E +D 179 0B 1 52,-3.3 52,-2.9 -2,-0.2 3,-0.1 -0.904 30.9 148.8-124.8 102.5 -17.4 19.8 -16.8 128 128 A Q S S+ 0 0 114 -2,-0.5 2,-0.3 50,-0.2 -1,-0.1 0.500 71.1 9.8-108.9 -11.2 -21.0 20.5 -15.7 129 129 A N S > S- 0 0 80 50,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.956 85.2 -89.7-155.9 175.4 -22.7 20.4 -19.1 130 130 A Q H > S+ 0 0 61 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.846 121.4 56.7 -59.5 -36.1 -22.2 19.4 -22.8 131 131 A E H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 106.3 47.4 -65.5 -41.4 -21.0 22.9 -23.6 132 132 A Q H > S+ 0 0 60 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.834 110.0 55.2 -69.0 -30.4 -18.2 22.9 -21.0 133 133 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.960 107.7 48.8 -63.1 -49.6 -17.2 19.5 -22.3 134 134 A T H X S+ 0 0 59 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.888 113.8 45.7 -55.8 -46.0 -16.8 20.9 -25.8 135 135 A E H X S+ 0 0 105 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.910 112.4 51.4 -64.3 -43.7 -14.7 23.8 -24.6 136 136 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.924 109.3 49.5 -62.2 -46.2 -12.6 21.5 -22.5 137 137 A I H X S+ 0 0 16 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.881 112.0 50.5 -58.9 -38.5 -11.9 19.2 -25.4 138 138 A A H < S+ 0 0 76 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.967 115.9 39.9 -61.9 -52.1 -11.0 22.3 -27.4 139 139 A E H < S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.790 124.5 35.0 -71.6 -33.2 -8.5 23.7 -24.8 140 140 A L H < S- 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.676 90.6-167.2 -96.9 -21.8 -6.9 20.4 -23.7 141 141 A S < - 0 0 69 -4,-1.6 -1,-0.1 -5,-0.4 -2,-0.1 -0.100 38.4 -3.9 62.1-165.7 -6.9 18.6 -27.0 142 142 A Y S S+ 0 0 70 1,-0.1 20,-0.1 -4,-0.1 2,-0.1 -0.853 109.8 39.1-109.8 145.8 -6.2 14.9 -27.3 143 143 A P S S+ 0 0 56 0, 0.0 41,-2.0 0, 0.0 2,-0.3 0.545 78.9 138.6 -89.2 157.7 -5.4 12.8 -25.4 144 144 A S E -EF 161 183B 0 17,-1.5 17,-3.2 39,-0.3 2,-0.4 -0.936 40.7-128.7-152.5 166.1 -7.4 13.7 -22.2 145 145 A V E -EF 160 182B 6 37,-3.0 37,-3.2 -2,-0.3 2,-0.6 -0.986 8.8-158.3-132.2 125.8 -9.4 11.9 -19.5 146 146 A L E +EF 159 181B 0 13,-2.5 13,-2.5 -2,-0.4 2,-0.3 -0.885 22.6 169.6-103.0 122.2 -13.0 12.7 -18.3 147 147 A K E -EF 158 180B 10 33,-2.7 33,-3.1 -2,-0.6 11,-0.2 -0.920 37.7-102.2-127.9 156.4 -13.8 11.5 -14.8 148 148 A T E - F 0 179B 19 9,-1.7 31,-0.3 -2,-0.3 -41,-0.1 -0.493 24.6-136.2 -73.7 149.4 -16.7 12.1 -12.4 149 149 A T S S+ 0 0 4 29,-1.9 -42,-2.3 -2,-0.1 2,-0.2 0.791 80.6 25.6 -77.2 -30.4 -16.0 14.6 -9.6 150 150 A T S S+ 0 0 82 28,-0.4 -44,-0.1 -44,-0.2 -2,-0.1 -0.790 100.9 8.2-129.2 169.9 -17.6 12.4 -6.8 151 151 A G + 0 0 64 -46,-0.3 6,-0.1 -2,-0.2 -3,-0.1 0.067 52.2 127.7 60.8-164.5 -18.5 8.9 -5.9 152 152 A G - 0 0 48 1,-0.1 -1,-0.0 3,-0.1 -4,-0.0 0.907 39.9-154.7 73.8 95.2 -17.5 5.7 -7.7 153 153 A Y S S+ 0 0 193 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.427 93.7 27.2 -79.8 0.9 -15.9 3.3 -5.2 154 154 A D S S- 0 0 92 63,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.619 117.4 -91.8-127.1 -37.4 -13.9 1.6 -8.1 155 155 A G + 0 0 23 62,-0.0 3,-0.1 0, 0.0 -3,-0.1 0.622 68.0 150.7 114.3 38.2 -13.4 4.2 -10.9 156 156 A K + 0 0 166 1,-0.2 2,-1.4 -9,-0.0 -4,-0.1 0.825 59.2 64.9 -71.0 -38.2 -16.5 3.4 -13.0 157 157 A G S S+ 0 0 17 -6,-0.1 -9,-1.7 -9,-0.1 2,-0.3 -0.628 73.9 117.2 -92.5 76.5 -17.0 6.9 -14.4 158 158 A Q E -E 147 0B 75 -2,-1.4 2,-0.4 -11,-0.2 -11,-0.2 -0.969 34.6-178.3-143.2 129.9 -13.9 7.4 -16.5 159 159 A V E -E 146 0B 4 -13,-2.5 -13,-2.5 -2,-0.3 2,-0.5 -0.989 17.2-148.0-126.4 120.9 -13.6 7.9 -20.3 160 160 A V E -E 145 0B 32 -2,-0.4 2,-0.8 -15,-0.2 -15,-0.2 -0.798 12.4-151.4 -89.8 126.0 -10.2 8.2 -22.0 161 161 A L E +E 144 0B 0 -17,-3.2 -17,-1.5 -2,-0.5 23,-0.1 -0.822 33.2 152.8-106.0 97.1 -10.4 10.5 -25.0 162 162 A R + 0 0 155 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.814 68.7 6.2 -91.9 -33.8 -7.8 9.5 -27.6 163 163 A S S > S- 0 0 54 -21,-0.0 3,-3.1 1,-0.0 4,-0.5 -0.916 81.7 -93.9-142.6 166.2 -9.7 10.8 -30.7 164 164 A E G > S+ 0 0 140 1,-0.3 3,-0.8 -2,-0.3 4,-0.4 0.754 120.1 73.1 -48.6 -25.9 -12.7 12.8 -31.9 165 165 A A G 3 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.579 91.7 56.0 -66.2 -10.5 -14.2 9.2 -32.1 166 166 A D G X> S+ 0 0 44 -3,-3.1 4,-1.6 1,-0.1 3,-1.2 0.674 79.3 89.9 -95.1 -20.9 -14.3 9.2 -28.3 167 167 A V H <> S+ 0 0 13 -3,-0.8 4,-2.6 -4,-0.5 5,-0.2 0.827 80.5 59.6 -46.3 -45.3 -16.4 12.3 -27.8 168 168 A D H 3> S+ 0 0 134 -4,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.820 106.5 45.1 -59.8 -37.2 -19.8 10.4 -27.9 169 169 A E H <> S+ 0 0 126 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.879 112.3 52.9 -74.0 -37.2 -18.9 8.2 -24.9 170 170 A A H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.902 105.7 54.0 -58.7 -44.4 -17.6 11.2 -23.0 171 171 A R H X S+ 0 0 69 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.908 105.6 53.9 -59.6 -40.1 -20.9 13.0 -23.6 172 172 A K H X S+ 0 0 164 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.869 111.2 45.5 -60.2 -39.8 -22.8 10.1 -22.1 173 173 A L H >X S+ 0 0 25 -4,-1.5 4,-1.3 1,-0.2 3,-0.6 0.918 110.1 52.7 -69.2 -46.3 -20.6 10.3 -19.0 174 174 A A H 3< S+ 0 0 9 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.774 105.9 58.1 -60.8 -24.8 -21.1 14.1 -18.8 175 175 A N H 3< S+ 0 0 132 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 109.6 41.0 -72.7 -36.5 -24.8 13.5 -19.0 176 176 A A H << S+ 0 0 87 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.671 123.4 12.6 -86.0 -17.4 -25.0 11.3 -15.9 177 177 A A S < S- 0 0 34 -4,-1.3 -1,-0.2 -50,-0.0 2,-0.1 -0.999 76.4 -93.3-162.2 146.1 -22.6 13.3 -13.7 178 178 A E - 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