==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-OCT-05 2B9H . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE FUS3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.REMENYI,M.C.GOOD,R.P.BHATTACHARYYA,W.A.LIM . 349 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 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 . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 2 0 1 1 0 1 0 2 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 1 0 1 1 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 . 1 0 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 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 93 0, 0.0 16,-0.1 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 74.5 51.8 9.8 32.9 2 2 A P > - 0 0 45 0, 0.0 3,-1.9 0, 0.0 15,-0.0 -0.195 360.0-132.8 -52.2 135.5 52.9 12.0 35.9 3 3 A K T 3 S+ 0 0 100 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.774 104.1 70.2 -61.6 -26.7 56.2 11.0 37.5 4 4 A R T 3 S+ 0 0 149 2,-0.0 2,-0.8 1,-0.0 -1,-0.3 0.730 77.3 93.3 -62.9 -22.9 54.4 11.2 40.9 5 5 A I < - 0 0 17 -3,-1.9 2,-0.5 2,-0.0 -1,-0.0 -0.656 59.5-179.6 -78.6 108.7 52.4 8.1 40.0 6 6 A V - 0 0 86 -2,-0.8 2,-0.5 2,-0.0 -2,-0.0 -0.946 13.6-170.5-115.9 126.6 54.3 5.1 41.4 7 7 A Y - 0 0 19 -2,-0.5 2,-1.7 2,-0.1 8,-0.1 -0.969 16.1-148.9-115.3 119.0 53.3 1.5 41.0 8 8 A N + 0 0 107 -2,-0.5 2,-0.3 3,-0.0 80,-0.1 -0.529 58.0 115.8 -86.9 72.1 55.2 -1.1 43.1 9 9 A I S S- 0 0 35 -2,-1.7 -2,-0.1 1,-0.1 4,-0.0 -0.796 74.3 -55.1-130.5 171.1 54.8 -4.0 40.6 10 10 A S > - 0 0 51 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 -0.119 43.2-126.0 -49.0 139.5 57.0 -6.0 38.4 11 11 A S T 3 S+ 0 0 100 1,-0.3 -1,-0.2 -3,-0.1 22,-0.1 0.562 102.5 85.3 -67.1 -4.9 59.3 -4.1 36.1 12 12 A D T 3 S+ 0 0 75 20,-0.1 21,-2.4 21,-0.1 2,-0.4 0.683 82.7 73.7 -67.7 -15.4 57.8 -6.3 33.4 13 13 A F E < -A 32 0A 25 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.848 65.8-165.5-102.6 137.7 55.0 -3.6 33.3 14 14 A Q E -A 31 0A 117 17,-2.4 17,-2.7 -2,-0.4 -3,-0.0 -0.982 24.0-127.8-119.7 117.1 55.6 -0.2 31.8 15 15 A L E +A 30 0A 38 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.333 28.5 178.9 -62.1 143.3 52.9 2.4 32.8 16 16 A K E - 0 0 119 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.771 53.8 -5.2-112.8 -62.3 51.4 4.2 29.8 17 17 A S E -A 29 0A 42 12,-0.7 12,-2.5 -16,-0.1 2,-0.6 -0.994 60.0-118.3-141.6 147.2 48.7 6.7 30.8 18 18 A L E +A 28 0A 46 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.747 32.0 173.4 -83.0 122.3 46.9 7.9 33.9 19 19 A L E + 0 0 65 8,-2.9 2,-0.3 -2,-0.6 9,-0.2 0.734 62.7 1.4-102.6 -26.3 43.1 7.1 33.5 20 20 A G E -A 27 0A 28 7,-1.9 7,-2.9 2,-0.0 -1,-0.4 -0.973 54.0-171.4-163.7 145.8 41.7 8.0 36.8 21 21 A E E +A 26 0A 104 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.917 23.4 141.0-148.5 114.9 42.9 9.3 40.2 22 22 A G - 0 0 47 3,-2.2 -2,-0.0 -2,-0.3 0, 0.0 -0.816 63.1 -88.7-140.6-178.2 40.9 9.5 43.4 23 23 A A S S+ 0 0 90 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.775 124.6 31.2 -68.8 -27.4 41.4 9.0 47.1 24 24 A Y S S+ 0 0 16 1,-0.2 21,-0.5 20,-0.1 2,-0.3 0.884 124.5 25.6 -97.0 -53.6 40.5 5.4 46.9 25 25 A G E - B 0 44A 13 19,-0.1 -3,-2.2 2,-0.0 2,-0.4 -0.872 48.5-167.0-121.4 148.6 41.7 4.2 43.5 26 26 A V E -AB 21 43A 14 17,-2.1 17,-3.1 -2,-0.3 2,-0.5 -0.995 18.1-164.4-122.6 132.3 44.3 5.2 40.8 27 27 A V E +AB 20 42A 39 -7,-2.9 -8,-2.9 -2,-0.4 -7,-1.9 -0.983 12.4 169.1-126.0 128.3 43.8 3.6 37.4 28 28 A C E -AB 18 41A 0 13,-1.9 13,-3.1 -2,-0.5 2,-0.3 -0.960 32.7-125.1-131.6 151.4 46.5 3.5 34.7 29 29 A S E +AB 17 40A 5 -12,-2.5 -13,-3.2 -2,-0.3 -12,-0.7 -0.669 38.2 178.4 -86.4 153.7 46.9 1.7 31.4 30 30 A A E -AB 15 39A 0 9,-2.2 9,-2.9 -15,-0.3 2,-0.5 -0.987 28.7-124.4-156.6 148.3 50.2 -0.2 31.2 31 31 A T E -AB 14 38A 38 -17,-2.7 -17,-2.4 -2,-0.3 2,-1.3 -0.831 13.9-144.5 -98.8 127.8 52.0 -2.5 28.8 32 32 A H E >>> -AB 13 37A 46 5,-3.1 4,-2.5 -2,-0.5 3,-1.2 -0.812 22.0-156.8 -87.7 99.2 53.0 -6.0 30.1 33 33 A K T 345S+ 0 0 112 -21,-2.4 -1,-0.2 -2,-1.3 -20,-0.1 0.810 80.6 60.5 -51.2 -41.6 56.2 -6.0 28.1 34 34 A P T 345S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.851 123.4 21.9 -58.1 -33.9 56.8 -9.8 27.8 35 35 A T T <45S- 0 0 95 -3,-1.2 -2,-0.2 2,-0.2 3,-0.1 0.613 97.4-127.5-107.5 -18.9 53.5 -10.3 26.0 36 36 A G T <5 + 0 0 46 -4,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.404 57.9 146.3 85.6 -3.1 52.9 -6.8 24.6 37 37 A E E < -B 32 0A 103 -5,-0.6 -5,-3.1 -6,-0.1 2,-0.6 -0.472 42.4-144.0 -71.1 135.7 49.4 -6.8 26.1 38 38 A I E +B 31 0A 66 -7,-0.2 57,-0.5 -2,-0.2 -7,-0.2 -0.897 30.9 171.3-102.7 123.7 48.2 -3.3 27.2 39 39 A V E -B 30 0A 2 -9,-2.9 -9,-2.2 -2,-0.6 2,-0.4 -0.715 34.3-110.8-125.4 170.4 46.0 -3.7 30.4 40 40 A A E -BC 29 93A 6 53,-2.7 53,-3.2 -11,-0.2 2,-0.5 -0.897 27.3-163.6-104.3 138.4 44.4 -1.5 33.0 41 41 A I E -BC 28 92A 0 -13,-3.1 -13,-1.9 -2,-0.4 2,-0.6 -0.966 3.8-160.6-125.5 118.6 45.8 -1.6 36.5 42 42 A K E -BC 27 91A 17 49,-2.9 49,-2.9 -2,-0.5 2,-0.5 -0.866 10.8-160.7 -99.8 118.9 43.8 -0.2 39.5 43 43 A K E +BC 26 90A 25 -17,-3.1 -17,-2.1 -2,-0.6 2,-0.4 -0.888 11.5 178.4-103.0 132.4 46.1 0.6 42.5 44 44 A I E -BC 25 89A 1 45,-2.3 45,-2.7 -2,-0.5 -19,-0.1 -0.982 25.1-149.5-131.6 136.3 44.5 0.9 46.0 45 45 A E + 0 0 104 -21,-0.5 3,-0.4 -2,-0.4 43,-0.2 -0.905 28.8 172.0-101.5 100.1 46.3 1.6 49.4 46 46 A P + 0 0 0 0, 0.0 7,-0.7 0, 0.0 3,-0.3 0.574 51.0 72.1 -88.8 -7.0 43.8 -0.3 51.6 47 47 A F + 0 0 34 40,-0.5 278,-0.1 1,-0.2 282,-0.1 0.303 66.5 81.1-103.8 12.7 45.5 -0.3 54.9 48 48 A D S S+ 0 0 120 -3,-0.4 -1,-0.2 1,-0.3 277,-0.1 0.865 111.5 7.5 -77.2 -33.5 45.3 3.2 56.5 49 49 A K S >> S- 0 0 124 -3,-0.3 3,-1.3 1,-0.1 4,-1.3 -0.996 73.6-119.5-146.3 145.5 41.7 2.6 57.7 50 50 A P H 3> S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.855 108.7 69.1 -53.0 -37.1 39.5 -0.5 57.6 51 51 A L H 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.864 100.4 45.9 -49.8 -44.4 37.0 1.4 55.4 52 52 A F H <> S+ 0 0 44 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.912 113.4 48.4 -68.1 -41.1 39.4 1.3 52.5 53 53 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 -7,-0.7 -2,-0.2 0.854 109.3 53.6 -67.2 -37.1 40.3 -2.4 53.0 54 54 A L H X S+ 0 0 29 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.926 110.3 46.7 -63.2 -44.4 36.6 -3.3 53.2 55 55 A R H X S+ 0 0 22 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.919 112.6 51.1 -62.6 -42.5 35.8 -1.5 49.9 56 56 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.934 111.1 47.2 -58.4 -46.0 38.8 -3.3 48.3 57 57 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.912 112.3 48.3 -67.5 -44.0 37.7 -6.7 49.5 58 58 A R H X S+ 0 0 12 -4,-2.5 4,-2.4 99,-0.2 5,-0.2 0.949 113.4 49.5 -60.1 -45.5 34.1 -6.3 48.3 59 59 A E H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.927 112.3 46.1 -57.6 -49.6 35.4 -5.0 44.9 60 60 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.918 112.9 49.6 -62.0 -43.5 37.8 -7.9 44.4 61 61 A K H X S+ 0 0 33 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.895 113.4 45.8 -67.0 -38.9 35.2 -10.6 45.5 62 62 A I H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.2 3,-0.3 0.946 112.4 50.6 -69.3 -45.6 32.6 -9.2 43.1 63 63 A L H < S+ 0 0 2 -4,-2.8 11,-0.4 -5,-0.2 -2,-0.2 0.910 113.0 46.8 -56.1 -43.0 35.0 -8.9 40.2 64 64 A K H < S+ 0 0 64 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.802 110.2 54.5 -69.4 -28.1 36.2 -12.5 40.7 65 65 A H H < S+ 0 0 84 -4,-1.4 2,-0.3 -3,-0.3 -2,-0.2 0.902 95.6 70.9 -74.4 -42.5 32.7 -13.8 41.0 66 66 A F < - 0 0 14 -4,-1.8 2,-0.4 -5,-0.1 62,-0.0 -0.572 46.3-178.5 -86.9 139.9 31.1 -12.6 37.8 67 67 A K + 0 0 154 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.830 39.5 133.7-129.3 89.1 31.9 -13.8 34.3 68 68 A H > - 0 0 20 -2,-0.4 3,-1.9 3,-0.4 -2,-0.0 -0.999 62.6-124.9-146.2 142.2 29.6 -11.5 32.2 69 69 A E T 3 S+ 0 0 90 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.730 111.2 46.7 -60.6 -26.6 30.0 -9.4 29.1 70 70 A N T 3 S+ 0 0 5 82,-0.1 83,-2.9 2,-0.1 2,-0.4 0.138 97.7 78.8-105.5 21.4 28.9 -6.2 30.8 71 71 A I B < S-e 153 0B 3 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.999 94.7-103.6-124.8 125.4 31.0 -6.6 34.0 72 72 A I - 0 0 3 81,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.162 38.4-118.1 -55.0 134.4 34.7 -5.6 33.6 73 73 A T - 0 0 34 -4,-0.1 21,-1.9 -6,-0.1 2,-0.5 -0.601 17.6-148.5 -78.4 130.6 37.0 -8.6 33.4 74 74 A I E -D 93 0A 22 -11,-0.4 19,-0.3 -2,-0.3 3,-0.1 -0.867 12.3-175.2 -95.7 128.8 39.6 -9.1 36.1 75 75 A F E - 0 0 82 17,-3.2 2,-0.3 -2,-0.5 18,-0.2 0.842 60.2 -53.1 -88.2 -44.0 42.8 -10.8 34.8 76 76 A N E -D 92 0A 67 16,-1.5 16,-2.9 2,-0.0 2,-0.4 -0.980 42.9-107.9-176.5 174.6 44.5 -11.1 38.1 77 77 A I E -D 91 0A 13 259,-0.3 14,-0.2 -2,-0.3 12,-0.0 -0.992 45.4-107.9-120.0 132.9 45.8 -9.3 41.2 78 78 A Q - 0 0 47 12,-2.4 12,-0.3 -2,-0.4 258,-0.0 -0.323 31.2-122.5 -62.8 143.1 49.5 -8.8 41.5 79 79 A R - 0 0 168 10,-0.1 -1,-0.1 257,-0.0 10,-0.0 -0.761 19.4-133.2 -90.8 120.4 51.2 -11.0 44.1 80 80 A P - 0 0 26 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.349 16.1-126.9 -65.2 155.4 53.1 -9.1 46.8 81 81 A D S S+ 0 0 137 4,-0.3 2,-0.3 1,-0.2 5,-0.1 0.706 87.3 1.0 -82.1 -13.0 56.5 -10.6 47.4 82 82 A S - 0 0 38 1,-0.1 -1,-0.2 3,-0.1 0, 0.0 -0.974 66.5-117.4-162.0 159.9 55.8 -10.9 51.2 83 83 A F S > S+ 0 0 67 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.885 117.2 54.4 -68.1 -36.6 53.0 -10.2 53.7 84 84 A E T 3 S+ 0 0 75 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.842 110.8 45.6 -63.9 -34.5 55.2 -7.7 55.5 85 85 A N T 3 S+ 0 0 97 2,-0.0 2,-0.9 1,-0.0 -4,-0.3 -0.095 82.2 113.4-100.0 29.0 55.8 -5.8 52.2 86 86 A F < + 0 0 2 -3,-1.3 3,-0.1 1,-0.2 247,-0.1 -0.854 25.6 134.9-104.2 98.3 52.1 -5.9 51.2 87 87 A N + 0 0 91 -2,-0.9 -40,-0.5 1,-0.3 2,-0.3 0.530 63.2 34.5-120.6 -16.5 51.0 -2.2 51.3 88 88 A E - 0 0 35 -3,-0.2 2,-0.4 -43,-0.2 -1,-0.3 -0.976 67.0-135.7-139.3 157.4 49.0 -1.7 48.1 89 89 A V E -C 44 0A 1 -45,-2.7 -45,-2.3 -2,-0.3 2,-0.5 -0.928 12.7-162.0-113.9 132.9 46.7 -3.8 45.9 90 90 A Y E -C 43 0A 10 -2,-0.4 -12,-2.4 -12,-0.3 2,-0.6 -0.925 4.3-165.8-119.2 104.5 47.1 -3.9 42.1 91 91 A I E -CD 42 77A 0 -49,-2.9 -49,-2.9 -2,-0.5 2,-0.6 -0.806 8.9-152.9 -91.4 119.5 44.0 -5.2 40.2 92 92 A I E +CD 41 76A 4 -16,-2.9 -17,-3.2 -2,-0.6 -16,-1.5 -0.829 23.6 170.7 -97.0 125.4 44.8 -6.0 36.6 93 93 A Q E -CD 40 74A 13 -53,-3.2 -53,-2.7 -2,-0.6 -19,-0.2 -0.836 43.1 -79.7-129.3 165.2 41.8 -5.7 34.3 94 94 A E - 0 0 54 -21,-1.9 2,-0.5 -2,-0.3 -55,-0.1 -0.419 56.1-116.3 -58.0 136.6 40.9 -5.7 30.6 95 95 A L - 0 0 51 -57,-0.5 2,-0.2 -2,-0.1 -1,-0.1 -0.708 31.1-166.6 -86.3 121.2 41.7 -2.3 29.3 96 96 A M - 0 0 13 -2,-0.5 50,-0.2 1,-0.1 3,-0.1 -0.643 24.3-124.7 -97.2 163.8 38.7 -0.3 28.0 97 97 A Q S S- 0 0 97 48,-0.5 2,-0.2 -2,-0.2 49,-0.2 0.829 74.1 -32.2 -82.5 -30.2 39.0 2.9 25.9 98 98 A T E -F 145 0B 14 47,-2.0 47,-2.4 252,-0.0 2,-0.3 -0.839 61.3 -99.2-164.6-165.7 37.0 5.3 27.9 99 99 A D E > -F 144 0B 25 45,-0.3 4,-2.1 -2,-0.2 45,-0.2 -0.913 33.5-108.1-133.8 163.9 34.0 5.7 30.3 100 100 A L H > S+ 0 0 0 43,-2.7 4,-2.8 40,-1.1 41,-0.2 0.765 114.7 59.2 -68.4 -23.1 30.5 6.9 29.7 101 101 A H H > S+ 0 0 87 39,-0.6 4,-2.0 42,-0.2 -1,-0.2 0.943 109.5 44.4 -67.7 -45.5 30.9 10.2 31.5 102 102 A R H > S+ 0 0 102 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.912 114.7 50.7 -64.5 -39.1 33.7 11.2 29.1 103 103 A V H >X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.7 0.960 111.0 45.5 -63.1 -49.3 31.6 9.9 26.1 104 104 A I H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 114.3 52.6 -62.9 -32.1 28.4 11.9 27.1 105 105 A S H 3< S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.730 123.6 23.5 -73.6 -25.4 30.7 14.9 27.6 106 106 A T H << S+ 0 0 102 -4,-1.3 2,-0.4 -3,-0.7 -2,-0.2 0.559 111.2 63.1-121.3 -10.7 32.4 14.8 24.3 107 107 A Q < - 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0 0 35 -6,-0.4 2,-1.1 1,-0.2 3,-0.1 0.249 51.6 -98.5 -25.2 133.4 15.5 2.5 54.1 184 199 A K - 0 0 92 1,-0.1 -1,-0.2 -22,-0.0 -2,-0.1 -0.529 49.0-112.6 -64.7 97.3 17.2 -0.9 53.5 185 200 A Y - 0 0 98 -2,-1.1 2,-0.3 -3,-0.3 -1,-0.1 0.115 50.3-178.3 -25.3 148.4 19.0 -0.2 50.2 186 201 A S >> - 0 0 36 -24,-0.1 3,-1.2 1,-0.1 4,-0.7 -0.895 44.4 -87.8-151.8 175.3 17.3 -2.3 47.5 187 202 A R H >> S+ 0 0 96 1,-0.3 4,-1.6 -2,-0.3 3,-0.9 0.875 120.1 65.0 -58.6 -36.8 17.3 -3.3 43.8 188 203 A A H 3> S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.805 90.4 63.0 -59.5 -27.5 15.1 -0.4 43.1 189 204 A M H <> S+ 0 0 5 -3,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.888 104.0 48.3 -66.4 -33.2 17.8 2.1 44.2 190 205 A D H S- 0 0 63 1,-0.1 4,-2.8 -41,-0.0 5,-0.2 -0.932 88.9 -73.7-163.7 178.3 23.0 19.6 48.7 213 228 A Y H > S+ 0 0 82 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.929 127.4 45.9 -51.4 -50.5 20.4 17.3 50.2 214 229 A R H > S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 114.5 45.9 -62.2 -45.7 17.7 19.9 50.1 215 230 A H H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 108.5 58.0 -67.8 -36.2 18.3 21.0 46.6 216 231 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.930 108.1 45.8 -58.9 -48.0 18.6 17.4 45.4 217 232 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.910 110.8 53.2 -64.1 -38.5 15.1 16.7 46.7 218 233 A L H X S+ 0 0 61 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.935 111.5 45.8 -61.2 -43.5 13.7 19.9 45.1 219 234 A L H X S+ 0 0 47 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.912 113.7 49.2 -65.0 -43.6 15.1 19.0 41.7 220 235 A I H >X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 3,-1.4 0.964 115.1 42.3 -62.1 -51.8 13.9 15.3 41.9 221 236 A F H 3X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.814 103.1 66.9 -70.3 -26.6 10.3 16.3 42.9 222 237 A G H 3< S+ 0 0 24 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.735 115.0 31.2 -60.1 -23.5 10.2 19.1 40.4 223 238 A I H << S+ 0 0 29 -3,-1.4 31,-2.9 -4,-0.6 -2,-0.2 0.827 128.1 34.7-100.9 -45.0 10.3 16.4 37.8 224 239 A I H < S- 0 0 31 -4,-2.7 29,-0.2 29,-0.2 -3,-0.2 0.638 112.5-108.1 -90.0 -8.4 8.6 13.3 39.3 225 240 A G < - 0 0 11 -4,-2.0 -1,-0.1 27,-0.4 -3,-0.1 0.172 35.3 -78.8 93.9 143.1 6.0 15.3 41.3 226 241 A T - 0 0 6 25,-2.1 2,-0.2 -5,-0.1 27,-0.1 -0.618 42.7-124.8 -79.3 130.5 5.7 15.8 45.0 227 242 A P + 0 0 8 0, 0.0 24,-0.1 0, 0.0 -2,-0.1 -0.540 44.9 153.9 -69.2 137.5 4.3 12.8 47.0 228 243 A H + 0 0 118 -2,-0.2 2,-0.1 22,-0.0 18,-0.0 0.675 37.8 76.8-137.5 -35.8 1.3 14.0 49.0 229 244 A S S > S- 0 0 49 1,-0.1 4,-1.5 0, 0.0 5,-0.1 -0.371 85.4-111.3 -75.1 159.9 -1.3 11.4 49.9 230 245 A D T 4 S+ 0 0 114 1,-0.2 -1,-0.1 2,-0.2 4,-0.1 0.843 123.1 54.7 -61.1 -29.6 -0.6 8.9 52.7 231 246 A N T >4 S+ 0 0 113 1,-0.2 3,-1.9 2,-0.2 4,-0.3 0.949 104.0 53.8 -67.6 -43.7 -0.5 6.3 50.0 232 247 A D T 34 S+ 0 0 52 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.837 114.6 42.4 -55.2 -33.6 2.1 8.3 48.2 233 248 A L T >< S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 -1,-0.3 0.223 77.6 114.1-101.2 14.6 4.1 8.3 51.4 234 249 A R T < S+ 0 0 69 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.801 74.9 55.2 -55.1 -33.5 3.6 4.7 52.4 235 250 A C T 3 S+ 0 0 45 -3,-0.3 2,-0.6 -4,-0.3 -1,-0.3 0.428 92.9 80.5 -84.0 2.2 7.3 3.8 51.9 236 251 A I < + 0 0 1 -3,-2.0 -1,-0.1 1,-0.2 -3,-0.0 -0.910 45.4 165.2-113.1 107.8 8.5 6.6 54.3 237 252 A E + 0 0 177 -2,-0.6 -1,-0.2 4,-0.0 -2,-0.0 0.876 45.9 99.5 -87.4 -40.0 8.3 5.6 57.9 238 253 A S > - 0 0 25 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.235 62.4-151.4 -52.0 118.3 10.5 8.3 59.5 239 254 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.872 97.6 54.2 -62.1 -33.4 8.2 11.0 60.9 240 255 A R H > S+ 0 0 207 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.918 110.3 47.0 -63.7 -45.0 11.0 13.6 60.3 241 256 A A H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.2 51.9 -64.1 -43.3 11.2 12.6 56.6 242 257 A R H X S+ 0 0 51 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.923 110.1 48.3 -61.3 -44.3 7.4 12.6 56.1 243 258 A E H X S+ 0 0 119 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.864 109.6 53.5 -64.7 -35.8 7.1 16.2 57.5 244 259 A Y H >< S+ 0 0 60 -4,-1.7 3,-1.2 2,-0.2 4,-0.4 0.953 108.4 48.4 -65.4 -45.4 10.0 17.4 55.3 245 260 A I H >< S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.920 107.8 56.8 -59.0 -40.0 8.3 16.0 52.2 246 261 A K H 3< S+ 0 0 103 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.710 99.7 60.2 -64.6 -18.9 5.1 17.8 53.3 247 262 A S T << S+ 0 0 86 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.516 86.9 101.1 -87.4 -6.4 7.0 21.1 53.4 248 263 A L S < S- 0 0 20 -3,-1.6 -3,-0.0 -4,-0.4 -30,-0.0 -0.327 86.9 -93.1 -76.9 160.6 7.9 21.0 49.8 249 264 A P - 0 0 66 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 -0.390 46.6-109.1 -63.4 154.4 6.1 22.9 47.0 250 265 A M - 0 0 108 -3,-0.1 -22,-0.0 -25,-0.1 -4,-0.0 -0.713 45.9-174.8 -90.4 88.5 3.4 20.7 45.5 251 266 A Y - 0 0 80 -2,-1.3 -25,-2.1 -24,-0.1 2,-0.2 -0.635 18.0-138.4 -84.9 140.5 4.9 19.9 42.1 252 267 A P - 0 0 102 0, 0.0 -27,-0.4 0, 0.0 2,-0.3 -0.530 43.3 -83.1 -86.8 168.4 2.9 17.9 39.5 253 268 A A - 0 0 70 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.570 57.5-112.1 -68.3 134.3 4.9 15.2 37.6 254 269 A A - 0 0 14 -31,-2.9 2,-1.7 -2,-0.3 3,-0.1 -0.379 18.6-117.0 -71.8 143.2 6.6 17.1 34.7 255 270 A P >> + 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.605 37.5 179.9 -81.3 85.9 5.4 16.5 31.1 256 271 A L H 3> S+ 0 0 8 -2,-1.7 4,-2.6 1,-0.3 -2,-0.0 0.824 74.8 58.6 -59.5 -35.1 8.7 15.1 29.9 257 272 A E H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.834 110.8 44.7 -66.2 -28.7 7.6 14.5 26.4 258 273 A K H <4 S+ 0 0 157 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 113.0 49.1 -80.4 -36.3 6.8 18.2 26.1 259 274 A M H < S+ 0 0 83 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.897 125.8 28.0 -69.2 -38.2 10.0 19.4 27.7 260 275 A F S >< S+ 0 0 49 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.3 -0.636 72.1 166.2-125.3 71.8 12.1 17.1 25.4 261 276 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.605 71.3 56.2 -63.6 -15.3 10.1 16.8 22.2 262 277 A R T 3 S+ 0 0 230 2,-0.1 2,-0.3 3,-0.0 -5,-0.1 0.396 82.8 104.1-100.0 0.9 12.8 15.3 20.1 263 278 A V S < S- 0 0 25 -3,-1.7 5,-0.1 -6,-0.2 -3,-0.1 -0.636 90.2 -94.2 -81.0 142.1 13.5 12.4 22.4 264 279 A N >> - 0 0 44 -2,-0.3 4,-2.0 1,-0.2 3,-0.7 -0.300 33.5-136.9 -52.3 124.5 12.2 8.9 21.3 265 280 A P H 3> S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.839 104.0 56.1 -59.4 -31.1 8.8 8.7 23.0 266 281 A K H 3> S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.839 106.3 52.4 -66.9 -32.4 9.5 5.0 24.0 267 282 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.896 108.2 49.0 -69.6 -42.9 12.7 6.2 25.6 268 283 A I H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.921 109.8 53.6 -60.8 -39.8 10.8 8.8 27.7 269 284 A D H X S+ 0 0 58 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.932 110.1 45.9 -61.8 -44.5 8.3 6.1 28.7 270 285 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.924 112.2 52.0 -62.5 -45.9 11.0 3.9 29.9 271 286 A L H >X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 3,-0.8 0.912 107.1 52.3 -57.1 -44.4 12.6 6.8 31.7 272 287 A Q H 3< S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 106.8 53.7 -61.6 -33.5 9.4 7.6 33.5 273 288 A R H 3< S+ 0 0 124 -4,-1.7 10,-2.1 1,-0.2 3,-0.3 0.720 110.9 46.6 -75.9 -17.6 9.0 4.1 34.7 274 289 A M H << S+ 0 0 0 -4,-1.1 2,-1.2 -3,-0.8 -2,-0.2 0.809 105.2 59.4 -88.8 -34.8 12.5 4.2 36.2 275 290 A L S < S+ 0 0 10 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 -0.531 73.4 136.0 -97.8 64.4 12.1 7.6 38.0 276 291 A V - 0 0 38 -2,-1.2 6,-0.1 -3,-0.3 -3,-0.0 -0.917 53.3-139.3-108.9 138.3 9.1 6.6 40.1 277 292 A F S S+ 0 0 21 -2,-0.4 -100,-0.3 -53,-0.2 -1,-0.1 0.939 86.8 71.6 -65.3 -48.5 9.1 7.7 43.8 278 293 A D S >> S- 0 0 32 1,-0.2 3,-1.6 2,-0.1 4,-0.8 -0.562 72.4-153.3 -73.3 113.0 7.7 4.5 45.2 279 294 A P G >4 S+ 0 0 31 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.813 92.8 59.7 -59.1 -27.0 10.4 1.8 44.9 280 295 A A G 34 S+ 0 0 94 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.741 108.7 44.9 -73.1 -19.8 7.8 -1.0 44.8 281 296 A K G <4 S+ 0 0 144 -3,-1.6 -1,-0.2 2,-0.1 2,-0.1 0.493 88.4 109.5 -98.4 -6.6 6.3 0.6 41.7 282 297 A R S << S- 0 0 9 -4,-0.8 -8,-0.2 -3,-0.6 -9,-0.1 -0.441 80.4-102.1 -70.5 144.6 9.6 1.3 39.9 283 298 A I - 0 0 16 -10,-2.1 2,-0.2 -13,-0.2 -1,-0.1 -0.297 35.9-125.9 -63.5 149.9 10.3 -0.9 36.9 284 299 A T > - 0 0 68 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.507 23.0-108.7 -91.6 167.6 12.8 -3.8 37.5 285 300 A A H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -159,-0.2 0.919 120.9 51.3 -64.1 -40.4 15.9 -4.3 35.4 286 301 A K H > S+ 0 0 103 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.932 110.6 48.2 -61.4 -45.8 14.4 -7.4 33.8 287 302 A E H 4 S+ 0 0 96 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.872 109.6 54.2 -62.8 -34.9 11.2 -5.5 32.9 288 303 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 6,-0.3 0.909 104.1 53.0 -66.1 -40.8 13.3 -2.7 31.5 289 304 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 110.0 51.2 -61.5 -24.9 15.1 -5.0 29.2 290 305 A E T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.343 87.2 115.6 -90.8 1.4 11.6 -6.1 28.0 291 306 A H S X S- 0 0 15 -3,-1.6 3,-1.7 -4,-0.2 4,-0.2 -0.421 77.9-116.8 -75.9 145.9 10.5 -2.6 27.4 292 307 A P G > S+ 0 0 68 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.818 110.2 67.4 -51.6 -30.7 9.6 -1.5 23.8 293 308 A Y G 3 S+ 0 0 4 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.854 107.1 40.4 -59.9 -29.5 12.4 1.1 23.8 294 309 A L G X> S+ 0 0 0 -3,-1.7 4,-2.0 -6,-0.3 3,-1.2 0.201 77.1 116.8-105.2 17.1 15.0 -1.7 23.9 295 310 A Q T <4 + 0 0 116 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.773 68.2 64.2 -58.1 -28.0 13.3 -4.2 21.5 296 311 A T T 34 S+ 0 0 65 -3,-0.3 -1,-0.3 -4,-0.2 47,-0.1 0.875 117.4 26.1 -64.5 -31.9 16.1 -4.0 19.0 297 312 A Y T <4 S+ 0 0 0 -3,-1.2 -2,-0.2 -8,-0.1 -1,-0.2 0.647 91.3 114.1-107.7 -17.5 18.5 -5.6 21.5 298 313 A H < + 0 0 53 -4,-2.0 -8,-0.1 -7,-0.1 5,-0.1 -0.300 28.9 166.6 -62.5 133.1 16.3 -7.6 23.9 299 314 A D > - 0 0 54 3,-0.0 3,-2.4 1,-0.0 -9,-0.0 -0.824 23.1-158.6-145.7 104.6 16.8 -11.4 23.8 300 315 A P T 3 S+ 0 0 82 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 0.637 94.7 54.0 -59.9 -16.8 15.1 -13.2 26.8 301 316 A N T 3 S+ 0 0 152 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.326 108.6 47.3 -99.0 4.7 17.5 -16.1 26.2 302 317 A D S < S+ 0 0 34 -3,-2.4 -1,-0.2 1,-0.1 -3,-0.0 -0.160 84.1 92.4-139.1 45.1 20.7 -14.1 26.4 303 318 A E S S- 0 0 8 -3,-0.3 -1,-0.1 -5,-0.1 -14,-0.0 -0.680 74.8-136.7-137.6 80.5 20.2 -11.9 29.5 304 319 A P - 0 0 50 0, 0.0 -174,-0.2 0, 0.0 -2,-0.1 0.014 12.4-161.7 -42.0 130.9 21.8 -13.9 32.4 305 320 A E - 0 0 142 1,-0.2 -175,-0.1 -175,-0.1 -19,-0.0 0.689 28.9-145.2 -91.6 -20.8 19.8 -13.9 35.6 306 321 A G - 0 0 11 -175,-0.1 -1,-0.2 -176,-0.1 -175,-0.1 -0.192 13.7 -93.5 81.3 178.1 22.6 -15.0 37.9 307 322 A E - 0 0 137 -180,-0.2 -177,-0.0 -179,-0.0 -1,-0.0 -0.996 46.7 -89.2-133.5 143.3 22.4 -17.2 41.0 308 323 A P - 0 0 94 0, 0.0 -176,-0.2 0, 0.0 -177,-0.1 -0.176 31.7-153.6 -56.2 136.7 21.9 -15.9 44.6 309 324 A I - 0 0 8 -178,-1.6 -147,-0.1 -147,-0.1 -178,-0.0 -0.943 21.1-125.9-108.7 131.2 24.9 -15.1 46.7 310 325 A P > - 0 0 73 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.391 21.3-111.0 -77.1 157.8 24.4 -15.4 50.5 311 326 A P G > S+ 0 0 49 0, 0.0 3,-2.2 0, 0.0 -150,-0.1 0.780 112.3 74.0 -55.5 -29.2 25.1 -12.5 52.9 312 327 A S G > S+ 0 0 75 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.659 75.0 78.6 -61.2 -17.5 28.1 -14.6 54.3 313 328 A F G < S+ 0 0 41 -3,-2.1 -1,-0.3 1,-0.3 3,-0.2 0.825 108.1 31.1 -59.6 -29.6 30.0 -13.7 51.1 314 329 A F G X S+ 0 0 4 -3,-2.2 3,-2.3 -4,-0.3 -1,-0.3 -0.226 81.4 139.9-117.3 42.3 30.5 -10.3 52.8 315 330 A E G X + 0 0 63 -3,-2.0 3,-2.0 1,-0.3 -1,-0.1 0.766 60.3 72.9 -56.6 -27.5 30.5 -11.9 56.3 316 331 A F G 3 S+ 0 0 8 1,-0.3 3,-0.5 -4,-0.2 7,-0.4 0.616 88.5 60.8 -64.5 -14.0 33.4 -9.5 57.3 317 332 A D G < S+ 0 0 47 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.496 100.6 57.3 -88.5 -7.0 30.9 -6.6 57.3 318 333 A H < + 0 0 134 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.2 -0.111 69.1 135.1-119.8 36.4 28.9 -8.3 60.1 319 334 A Y - 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