==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUL-04 1TYY . COMPND 2 MOLECULE: PUTATIVE SUGAR KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR Y.ZHANG,M.DOUGHERTY,D.M.DOWNS,S.E.EALICK . 593 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 54 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 4 0 0 5 1 2 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 7 5 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 . 1 0 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 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 5 A N 0 0 59 0, 0.0 41,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 143.2 12.8 -27.9 10.6 2 6 A K - 0 0 26 39,-0.1 112,-2.2 41,-0.1 2,-0.5 -0.401 360.0-143.1 -74.7 144.3 11.9 -27.4 7.0 3 7 A V E -ab 43 114A 0 39,-2.7 41,-2.5 110,-0.2 2,-0.5 -0.933 11.5-158.7-109.6 122.4 13.0 -24.4 4.9 4 8 A W E -ab 44 115A 9 110,-3.7 112,-2.6 -2,-0.5 2,-0.4 -0.912 7.1-171.5-106.8 125.9 10.6 -23.0 2.4 5 9 A V E -ab 45 116A 0 39,-2.4 41,-2.4 -2,-0.5 2,-0.4 -0.936 3.0-172.6-114.4 134.9 12.0 -21.0 -0.4 6 10 A I E +a 46 0A 1 110,-1.6 2,-0.4 -2,-0.4 112,-0.3 -0.991 40.2 48.3-129.7 138.4 9.6 -19.1 -2.8 7 11 A G S S+ 0 0 4 39,-1.4 41,-0.4 -2,-0.4 2,-0.2 -0.987 78.8 12.6 148.6-140.4 10.5 -17.3 -5.9 8 12 A D + 0 0 14 -2,-0.4 22,-1.5 39,-0.1 21,-0.4 -0.505 37.3 174.1 -87.5 148.0 12.5 -17.7 -9.2 9 13 A A + 0 0 0 -2,-0.2 72,-0.4 39,-0.2 18,-0.4 -0.963 23.0 155.1-146.9 132.5 14.0 -20.7 -10.8 10 14 A S E -I 26 0B 6 16,-2.4 16,-1.9 -2,-0.3 2,-0.5 -0.968 45.9 -99.3-157.2 170.3 15.6 -20.4 -14.2 11 15 A V E -Ij 25 82B 5 70,-1.7 72,-2.0 -2,-0.3 2,-0.5 -0.845 35.3-159.0 -95.6 127.0 18.0 -21.6 -16.9 12 16 A D E -Ij 24 83B 10 12,-3.3 12,-2.8 -2,-0.5 2,-0.7 -0.945 3.1-156.4-112.5 125.8 21.2 -19.5 -16.9 13 17 A L E -Ij 23 84B 0 70,-2.0 72,-1.7 -2,-0.5 10,-0.2 -0.897 14.3-175.8-102.2 110.2 23.3 -19.6 -20.1 14 18 A V E -I 22 0B 10 8,-2.3 8,-2.9 -2,-0.7 72,-0.1 -0.934 19.7-127.9-110.9 128.6 26.9 -18.7 -19.3 15 19 A P E +I 21 0B 32 0, 0.0 6,-0.2 0, 0.0 3,-0.1 0.073 31.6 165.2 -63.0 177.3 29.4 -18.3 -22.2 16 20 A E + 0 0 70 4,-0.7 5,-0.1 1,-0.6 2,-0.0 0.111 66.0 28.2-152.8 -70.5 32.8 -20.0 -22.5 17 21 A K S S- 0 0 145 3,-0.2 -1,-0.6 1,-0.0 3,-0.4 0.054 95.6 -89.4 -87.4-163.8 34.1 -19.6 -26.1 18 22 A Q S S+ 0 0 89 1,-0.2 -1,-0.0 -3,-0.1 0, 0.0 -0.018 122.2 31.4-100.5 28.5 33.3 -17.0 -28.7 19 23 A N S S+ 0 0 72 1,-0.2 303,-0.6 304,-0.0 2,-0.3 0.135 103.6 64.6-174.6 42.7 30.3 -19.0 -29.9 20 24 A S E - K 0 321B 0 -3,-0.4 -4,-0.7 301,-0.3 2,-0.4 -0.932 52.1-140.0-172.9 148.1 28.5 -21.1 -27.3 21 25 A Y E -IK 15 320B 1 299,-1.7 299,-2.4 -2,-0.3 2,-0.5 -0.911 15.8-138.7-115.6 138.9 26.5 -21.0 -24.0 22 26 A L E -IK 14 319B 55 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.7 -0.834 22.8-134.5 -95.3 126.3 26.7 -23.4 -21.1 23 27 A K E +I 13 0B 27 295,-2.8 -10,-0.2 -2,-0.5 259,-0.0 -0.729 33.4 167.6 -87.8 112.1 23.2 -24.4 -19.7 24 28 A C E -I 12 0B 7 -12,-2.8 -12,-3.3 -2,-0.7 2,-0.1 -0.875 37.2-110.5-123.4 153.5 23.0 -24.2 -15.9 25 29 A P E +I 11 0B 23 0, 0.0 259,-0.4 0, 0.0 258,-0.3 -0.470 52.0 157.2 -75.0 153.2 20.0 -24.4 -13.5 26 30 A G E +I 10 0B 0 -16,-1.9 -16,-2.4 -2,-0.1 4,-0.1 -0.879 23.7 129.1-160.1-168.4 19.3 -21.1 -11.7 27 31 A G > - 0 0 7 -18,-0.4 4,-3.5 -2,-0.3 3,-0.5 0.367 56.9-110.7 109.5 117.3 17.1 -18.6 -9.9 28 32 A A H > S+ 0 0 3 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.853 122.3 41.7 -41.4 -47.3 17.9 -16.9 -6.6 29 33 A S H > S+ 0 0 1 -21,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.846 116.0 49.6 -72.3 -34.1 15.3 -18.9 -4.8 30 34 A A H > S+ 0 0 2 -22,-1.5 4,-2.9 -3,-0.5 5,-0.3 0.927 109.2 51.0 -68.9 -48.4 16.2 -22.1 -6.7 31 35 A N H X S+ 0 0 3 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.890 112.1 47.8 -55.8 -43.2 19.9 -21.8 -5.9 32 36 A V H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.4 5,-0.2 0.908 112.0 49.1 -65.9 -44.3 19.2 -21.3 -2.3 33 37 A G H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.913 113.2 46.0 -62.9 -43.4 16.8 -24.3 -2.2 34 38 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.827 112.2 53.5 -68.9 -30.7 19.3 -26.5 -3.9 35 39 A C H X S+ 0 0 2 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.969 111.2 43.6 -67.3 -52.8 22.0 -25.2 -1.6 36 40 A V H <>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 -2,-0.2 0.878 114.5 51.4 -60.4 -38.4 20.0 -26.0 1.6 37 41 A A H ><5S+ 0 0 9 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.2 0.963 106.0 53.0 -65.2 -49.5 19.0 -29.4 0.2 38 42 A R H 3<5S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.818 100.1 61.9 -56.1 -33.0 22.6 -30.5 -0.7 39 43 A L T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 250,-0.2 -2,-0.2 0.367 126.6-101.8 -75.1 7.9 23.8 -29.7 2.9 40 44 A G T < 5S+ 0 0 54 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.410 79.8 136.9 89.2 -2.7 21.3 -32.4 3.9 41 45 A G < - 0 0 6 -5,-1.6 2,-0.7 -6,-0.2 -1,-0.3 -0.270 61.7-106.7 -74.3 163.6 18.7 -30.0 5.1 42 46 A E + 0 0 109 -41,-0.4 -39,-2.7 208,-0.1 2,-0.4 -0.843 48.5 172.2 -95.6 113.3 15.0 -30.4 4.4 43 47 A C E -ac 3 67A 2 -2,-0.7 25,-2.6 23,-0.6 2,-0.4 -0.945 19.3-166.0-128.8 143.7 13.9 -27.8 1.7 44 48 A G E -ac 4 68A 0 -41,-2.5 -39,-2.4 -2,-0.4 2,-0.5 -0.983 13.8-142.3-129.1 134.9 10.7 -27.1 -0.3 45 49 A F E -a 5 0A 1 23,-2.4 2,-0.5 -2,-0.4 26,-0.4 -0.825 9.9-165.3 -98.4 129.0 10.3 -24.9 -3.4 46 50 A I E +a 6 0A 0 -41,-2.4 -39,-1.4 -2,-0.5 2,-0.3 -0.966 43.4 87.5-110.6 117.5 7.1 -22.9 -3.7 47 51 A G E -p 72 0C 0 24,-1.2 26,-2.4 -2,-0.5 2,-0.3 -0.983 62.0 -91.2-179.2-169.7 6.6 -21.5 -7.3 48 52 A C E +p 73 0C 2 -41,-0.4 2,-0.3 -2,-0.3 26,-0.2 -0.950 29.5 163.8-132.6 151.7 5.5 -21.7 -10.9 49 53 A L E -p 74 0C 0 24,-1.4 26,-2.2 -2,-0.3 29,-0.1 -0.945 41.6 -97.3-159.4 153.2 7.2 -22.7 -14.2 50 54 A G - 0 0 0 -2,-0.3 26,-0.3 24,-0.3 29,-0.1 -0.350 33.1-114.2 -73.7 161.1 5.8 -23.6 -17.6 51 55 A D S S+ 0 0 83 24,-0.4 25,-0.1 27,-0.2 -1,-0.1 -0.073 87.2 110.1 -84.9 37.0 5.2 -27.2 -18.5 52 56 A D S > S- 0 0 35 23,-0.2 4,-2.7 -2,-0.1 5,-0.3 -0.221 88.5 -80.3-100.3-172.4 8.0 -26.6 -21.0 53 57 A D H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.972 128.9 42.4 -54.6 -65.6 11.7 -27.6 -21.6 54 58 A A H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.864 114.8 56.7 -50.5 -38.8 13.3 -25.2 -19.1 55 59 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.984 110.9 37.7 -56.9 -67.2 10.4 -26.1 -16.8 56 60 A R H X S+ 0 0 132 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.831 115.1 56.5 -55.8 -38.9 10.9 -29.8 -16.6 57 61 A F H X S+ 0 0 41 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.985 112.3 39.5 -57.4 -60.6 14.7 -29.5 -16.7 58 62 A L H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.885 114.7 55.5 -57.2 -40.5 14.8 -27.2 -13.6 59 63 A R H >X S+ 0 0 84 -4,-2.8 4,-1.7 -5,-0.3 3,-0.9 0.968 107.5 48.2 -55.5 -55.7 12.1 -29.3 -12.0 60 64 A Q H 3X S+ 0 0 97 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.871 106.3 58.6 -50.9 -44.2 14.2 -32.5 -12.4 61 65 A V H 3< S+ 0 0 19 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.856 102.4 53.8 -56.9 -36.6 17.2 -30.7 -11.0 62 66 A F H XX>S+ 0 0 3 -4,-1.6 5,-2.4 -3,-0.9 3,-1.2 0.953 110.4 46.1 -64.3 -46.2 15.2 -30.1 -7.8 63 67 A Q H ><5S+ 0 0 84 -4,-1.7 3,-1.3 1,-0.3 -2,-0.2 0.910 106.5 57.2 -60.8 -45.7 14.5 -33.8 -7.5 64 68 A D T 3<5S+ 0 0 116 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.578 112.9 44.7 -62.9 -8.5 18.1 -34.8 -8.2 65 69 A N T <45S- 0 0 27 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.465 118.5-104.6-116.0 -4.5 19.0 -32.6 -5.2 66 70 A G T <<5 + 0 0 54 -3,-1.3 2,-0.6 -4,-0.6 -23,-0.6 0.802 67.2 147.9 86.1 30.1 16.4 -33.6 -2.6 67 71 A V E < -c 43 0A 5 -5,-2.4 -1,-0.3 -6,-0.1 -23,-0.2 -0.891 49.6-123.9-101.6 117.7 14.3 -30.5 -3.0 68 72 A D E -c 44 0A 48 -25,-2.6 -23,-2.4 -2,-0.6 3,-0.2 -0.403 27.5-178.2 -62.3 126.3 10.6 -31.1 -2.4 69 73 A V > + 0 0 16 -2,-0.2 3,-1.9 -25,-0.2 -1,-0.1 0.147 44.3 117.4-114.0 21.1 8.5 -30.0 -5.4 70 74 A T T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -24,-0.0 -24,-0.1 0.837 85.9 39.6 -55.1 -35.6 5.0 -30.8 -4.1 71 75 A F T 3 S+ 0 0 63 -26,-0.4 -24,-1.2 -3,-0.2 2,-0.7 0.198 90.5 101.7-103.1 16.3 4.1 -27.1 -4.3 72 76 A L E < -p 47 0C 8 -3,-1.9 2,-0.4 -26,-0.2 -24,-0.2 -0.888 57.3-165.3 -98.3 114.3 5.9 -26.3 -7.5 73 77 A R E -p 48 0C 78 -26,-2.4 -24,-1.4 -2,-0.7 2,-0.6 -0.826 12.3-147.3-105.9 145.5 3.3 -26.1 -10.3 74 78 A L E -p 49 0C 40 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.3 -0.928 12.1-165.7-112.3 111.1 4.0 -26.2 -14.0 75 79 A D > - 0 0 46 -26,-2.2 3,-1.4 -2,-0.6 -24,-0.4 -0.854 12.3-156.7 -99.3 121.7 1.6 -24.1 -16.1 76 80 A A T 3 S+ 0 0 72 -2,-0.6 -1,-0.1 -26,-0.3 -26,-0.1 0.769 92.4 67.0 -66.7 -26.6 1.7 -24.8 -19.9 77 81 A D T 3 S+ 0 0 146 2,-0.0 -1,-0.3 -27,-0.0 2,-0.2 0.452 101.1 69.2 -75.0 5.2 0.2 -21.4 -20.6 78 82 A L S < S- 0 0 21 -3,-1.4 2,-0.4 -29,-0.1 -27,-0.2 -0.746 71.1-138.1-121.8 168.1 3.5 -20.0 -19.2 79 83 A T - 0 0 43 -2,-0.2 18,-2.0 -29,-0.1 19,-0.2 -0.993 22.7-127.3-130.3 125.8 7.2 -19.8 -20.1 80 84 A S - 0 0 0 -2,-0.4 -26,-0.1 16,-0.2 -70,-0.1 -0.408 36.7 -95.8 -72.0 142.3 10.0 -20.3 -17.6 81 85 A A - 0 0 19 -72,-0.4 -70,-1.7 -2,-0.1 2,-0.3 -0.147 38.0-178.3 -59.8 150.6 12.7 -17.7 -17.4 82 86 A V E +j 11 0B 12 -72,-0.2 10,-1.7 308,-0.1 11,-0.5 -0.945 7.1 175.8-148.9 122.6 16.0 -18.0 -19.2 83 87 A L E -jL 12 91B 14 -72,-2.0 -70,-2.0 -2,-0.3 2,-0.4 -0.756 24.1-128.3-124.8 174.4 18.7 -15.3 -18.9 84 88 A I E -jL 13 90B 4 6,-1.7 6,-0.6 -2,-0.3 2,-0.5 -0.964 13.7-137.4-131.2 116.9 22.3 -15.0 -20.2 85 89 A V E L 0 89B 17 -72,-1.7 4,-0.2 -2,-0.4 -73,-0.0 -0.591 360.0 360.0 -72.0 116.8 25.2 -14.3 -17.9 86 90 A N 0 0 70 2,-2.1 -1,-0.1 -2,-0.5 265,-0.0 -0.162 360.0 360.0-142.1 360.0 27.3 -11.7 -19.8 87 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 88 98 A S 0 0 107 0, 0.0 -2,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 62.1 25.7 -8.7 -15.5 89 99 A F E -L 85 0B 61 -4,-0.2 2,-0.4 -6,-0.0 -4,-0.2 -0.895 360.0-166.9-119.5 147.6 22.3 -10.3 -16.4 90 100 A T E -L 84 0B 27 -6,-0.6 -6,-1.7 -2,-0.4 2,-0.2 -0.934 17.2-154.4-132.9 105.0 20.2 -10.1 -19.5 91 101 A Y E -L 83 0B 72 -2,-0.4 -8,-0.2 -8,-0.2 3,-0.1 -0.573 11.5-174.9 -79.7 141.6 16.7 -11.6 -18.9 92 102 A L + 0 0 6 -10,-1.7 2,-0.5 -2,-0.2 300,-0.3 0.785 60.3 72.7-107.4 -37.5 14.9 -12.9 -22.0 93 103 A V - 0 0 14 -11,-0.5 298,-0.1 1,-0.2 -1,-0.1 -0.736 68.4-150.9 -86.8 121.6 11.3 -13.9 -20.9 94 104 A H S S+ 0 0 65 -2,-0.5 -1,-0.2 296,-0.4 297,-0.1 0.985 85.4 19.5 -60.6 -80.9 9.1 -10.9 -20.2 95 105 A P S S- 0 0 63 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.909 97.1-146.3 -62.6 -34.6 6.5 -11.8 -17.5 96 106 A G > - 0 0 5 -17,-0.1 3,-3.0 2,-0.1 4,-0.2 0.830 16.0-116.8 72.7 107.6 8.5 -14.8 -16.3 97 107 A A G > S+ 0 0 1 -18,-2.0 3,-2.2 1,-0.3 4,-0.2 0.762 110.2 70.1 -44.5 -35.7 6.5 -17.8 -15.1 98 108 A D G > S+ 0 0 25 1,-0.3 3,-0.8 -89,-0.2 -1,-0.3 0.743 89.0 64.8 -57.9 -22.7 8.0 -17.4 -11.6 99 109 A T G < S+ 0 0 10 -3,-3.0 28,-2.1 -4,-0.3 -1,-0.3 0.500 87.9 70.0 -80.1 -3.1 5.9 -14.3 -11.2 100 110 A Y G < + 0 0 89 -3,-2.2 -1,-0.2 26,-0.2 -2,-0.2 0.529 65.5 116.3 -93.1 -5.3 2.6 -16.2 -11.4 101 111 A V < - 0 0 1 -3,-0.8 29,-0.4 -4,-0.2 28,-0.1 -0.282 46.5-177.0 -59.7 148.2 2.9 -18.0 -8.0 102 112 A S > - 0 0 31 28,-0.1 3,-2.8 27,-0.1 4,-0.3 -0.969 42.9 -85.0-147.4 165.7 -0.0 -16.8 -5.8 103 113 A P G > S+ 0 0 40 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 0.677 120.4 64.2 -44.5 -24.3 -1.4 -17.2 -2.2 104 114 A Q G 3 S+ 0 0 182 1,-0.2 -3,-0.1 3,-0.0 0, 0.0 0.818 95.6 59.9 -70.9 -28.0 -3.3 -20.4 -3.2 105 115 A D G < S+ 0 0 21 -3,-2.8 -1,-0.2 2,-0.1 -58,-0.1 0.478 81.0 113.2 -77.4 -5.4 0.1 -22.1 -3.9 106 116 A L < - 0 0 11 -3,-0.9 3,-0.1 -4,-0.3 24,-0.0 -0.451 62.7-134.1 -72.2 138.3 1.2 -21.6 -0.3 107 117 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.588 33.1 -90.3 -90.8 153.1 1.7 -24.7 1.9 108 118 A P - 0 0 117 0, 0.0 2,-0.2 0, 0.0 30,-0.0 -0.422 52.4-134.7 -59.5 136.4 0.3 -25.0 5.4 109 119 A F - 0 0 28 28,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.608 14.9-149.7 -98.1 158.7 3.1 -23.7 7.7 110 120 A R > - 0 0 188 -2,-0.2 3,-1.7 -108,-0.1 31,-0.1 -0.885 30.5 -84.0-125.6 156.2 4.5 -25.2 10.9 111 121 A Q T 3 S+ 0 0 112 -2,-0.3 32,-0.2 1,-0.2 31,-0.2 -0.247 110.2 11.6 -59.1 140.9 6.1 -23.9 14.1 112 122 A Y T 3 S+ 0 0 67 30,-1.5 -1,-0.2 1,-0.2 31,-0.1 0.385 94.8 129.0 71.5 1.0 9.9 -23.2 13.9 113 123 A E < - 0 0 14 -3,-1.7 31,-2.6 28,-0.1 2,-0.4 -0.370 54.6-121.1 -80.4 165.2 10.1 -23.6 10.1 114 124 A W E -bd 3 144A 1 -112,-2.2 -110,-3.7 29,-0.2 2,-0.4 -0.890 15.8-161.7-114.5 140.8 11.7 -21.0 7.8 115 125 A F E -bd 4 145A 0 29,-2.4 31,-3.5 -2,-0.4 2,-0.4 -0.968 13.0-166.6-117.3 130.5 10.3 -19.0 4.9 116 126 A Y E +bd 5 146A 0 -112,-2.6 -110,-1.6 -2,-0.4 2,-0.3 -0.945 18.1 144.6-121.6 142.9 12.7 -17.3 2.5 117 127 A F E - d 0 147A 0 29,-1.7 31,-2.2 -2,-0.4 2,-0.2 -0.970 21.6-157.0-167.4 157.7 12.0 -14.7 -0.2 118 128 A S E >> - d 0 148A 1 -112,-0.3 3,-1.3 -2,-0.3 4,-0.5 -0.785 43.1 -89.2-134.0 178.2 13.6 -11.7 -1.9 119 129 A S H >> S+ 0 0 1 29,-0.9 4,-0.8 1,-0.3 3,-0.6 0.728 119.1 70.4 -61.7 -23.1 12.7 -8.5 -3.8 120 130 A I H >4 S+ 0 0 10 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.897 96.7 51.2 -62.5 -36.0 12.8 -10.6 -6.9 121 131 A G H <4 S+ 0 0 6 -3,-1.3 10,-0.3 1,-0.2 -1,-0.3 0.720 107.4 58.1 -70.9 -17.0 9.7 -12.2 -5.7 122 132 A L H << S+ 0 0 1 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.586 81.7 85.1 -88.3 -15.7 8.3 -8.7 -5.2 123 133 A T S << S+ 0 0 13 -3,-0.8 2,-0.3 -4,-0.8 34,-0.1 0.980 88.9 39.3 -54.5 -69.3 8.7 -7.4 -8.8 124 134 A D S > S- 0 0 68 -4,-0.4 4,-2.1 -29,-0.1 -1,-0.1 -0.653 86.3-113.5 -95.8 146.3 5.5 -8.6 -10.4 125 135 A R H > S+ 0 0 149 -2,-0.3 4,-2.1 2,-0.2 5,-0.3 0.775 102.2 49.3 -36.7 -66.8 2.0 -8.7 -8.9 126 136 A P H >> S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.943 118.4 41.1 -43.1 -67.4 0.8 -12.3 -8.5 127 137 A A H 3> S+ 0 0 4 -28,-2.1 4,-2.9 1,-0.3 5,-0.2 0.872 108.1 62.3 -45.1 -50.0 4.1 -13.4 -6.8 128 138 A R H 3X S+ 0 0 27 -4,-2.1 4,-2.0 1,-0.3 -1,-0.3 0.889 106.5 44.4 -47.3 -48.8 4.3 -10.2 -4.7 129 139 A E H S+ 0 0 0 -4,-2.5 5,-3.1 -5,-0.2 -1,-0.2 0.882 110.7 45.8 -60.6 -37.1 4.8 -18.2 8.5 139 149 A R H ><5S+ 0 0 107 -4,-2.2 3,-1.4 3,-0.2 -1,-0.2 0.897 111.5 51.1 -72.3 -38.6 5.0 -15.7 11.4 140 150 A E H 3<5S+ 0 0 146 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.855 105.9 57.0 -64.8 -32.8 1.5 -16.4 12.5 141 151 A A T 3<5S- 0 0 34 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.438 126.2-102.6 -79.4 2.2 2.4 -20.1 12.5 142 152 A G T < 5S+ 0 0 35 -3,-1.4 -30,-1.5 1,-0.2 -3,-0.2 0.706 81.2 130.5 85.0 21.0 5.2 -19.4 14.9 143 153 A G < - 0 0 4 -5,-3.1 2,-0.3 -32,-0.2 -1,-0.2 -0.442 55.9-106.3-104.0 178.0 7.9 -19.6 12.2 144 154 A Y E -d 114 0A 39 -31,-2.6 -29,-2.4 -2,-0.1 2,-0.4 -0.813 20.1-152.9-107.5 144.9 10.8 -17.5 11.0 145 155 A V E -d 115 0A 0 -2,-0.3 29,-2.2 27,-0.2 30,-1.9 -0.945 2.3-160.1-116.1 134.2 11.1 -15.4 7.8 146 156 A L E -de 116 175A 0 -31,-3.5 -29,-1.7 -2,-0.4 2,-0.6 -0.917 8.5-165.4-117.4 106.3 14.4 -14.6 6.0 147 157 A F E -de 117 176A 0 28,-2.2 30,-3.0 -2,-0.6 2,-0.7 -0.804 4.9-167.7 -97.1 121.0 14.2 -11.6 3.7 148 158 A D E -de 118 177A 3 -31,-2.2 2,-2.6 -2,-0.6 -29,-0.9 -0.924 14.4-150.0-104.8 109.1 17.1 -11.3 1.3 149 159 A V + 0 0 1 28,-2.4 2,-2.6 -2,-0.7 30,-0.3 -0.383 25.1 174.3 -79.2 63.3 16.9 -7.8 -0.2 150 160 A N - 0 0 16 -2,-2.6 2,-0.1 28,-0.1 -30,-0.1 -0.441 23.3-151.4 -71.4 73.0 18.4 -9.0 -3.4 151 161 A L + 0 0 13 -2,-2.6 2,-0.1 1,-0.1 -2,-0.1 -0.277 24.7 176.9 -59.5 121.6 17.9 -5.7 -5.2 152 162 A R >> + 0 0 47 1,-0.2 3,-3.1 -2,-0.1 4,-0.7 -0.479 2.6 174.3-122.7 58.7 17.5 -5.9 -8.9 153 163 A S G >4 S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.779 75.8 55.5 -30.4 -57.3 16.8 -2.3 -10.0 154 164 A K G 34 S+ 0 0 194 1,-0.3 -1,-0.3 5,-0.0 -2,-0.0 0.638 100.5 60.5 -59.5 -16.1 16.8 -3.0 -13.8 155 165 A X G <4 S+ 0 0 66 -3,-3.1 -1,-0.3 4,-0.0 -2,-0.2 0.725 88.1 94.5 -85.7 -19.8 14.1 -5.7 -13.5 156 166 A W << - 0 0 24 -3,-1.5 3,-0.3 -4,-0.7 -33,-0.0 -0.393 61.3-151.4 -79.4 148.1 11.5 -3.3 -12.1 157 167 A G S S+ 0 0 82 1,-0.3 2,-0.6 -34,-0.1 -1,-0.1 0.981 94.1 13.9 -75.0 -65.2 8.8 -1.4 -13.9 158 168 A N > - 0 0 51 1,-0.1 3,-0.5 2,-0.0 4,-0.3 -0.841 66.9-159.5-116.7 93.4 8.4 1.6 -11.6 159 169 A T G > S+ 0 0 91 -2,-0.6 3,-0.5 -3,-0.3 -1,-0.1 0.548 80.5 90.1 -46.6 -4.4 11.4 1.7 -9.2 160 170 A D G 3 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.018 81.7 53.4 -86.2 27.8 9.1 3.8 -7.1 161 171 A E G <> S+ 0 0 81 -3,-0.5 4,-2.6 3,-0.1 5,-0.2 0.461 88.0 79.4-129.1 -23.4 7.7 0.8 -5.3 162 172 A I H <> S+ 0 0 7 -3,-0.5 4,-2.3 -4,-0.3 5,-0.2 0.912 88.5 50.7 -56.8 -53.9 10.9 -0.7 -4.1 163 173 A P H > S+ 0 0 72 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.866 116.1 45.8 -55.0 -35.8 11.7 1.4 -1.0 164 174 A E H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.914 112.9 45.4 -74.5 -48.0 8.1 0.7 0.2 165 175 A L H X S+ 0 0 12 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.781 110.4 57.4 -68.8 -25.1 8.0 -3.1 -0.4 166 176 A I H >X S+ 0 0 1 -4,-2.3 4,-2.1 -5,-0.2 3,-0.6 0.920 106.5 48.3 -69.4 -43.7 11.5 -3.3 1.2 167 177 A A H 3X S+ 0 0 30 -4,-1.3 4,-1.3 -5,-0.2 -2,-0.2 0.887 108.6 52.5 -65.2 -39.6 10.2 -1.7 4.4 168 178 A R H 3X S+ 0 0 36 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.651 111.0 49.8 -72.5 -12.9 7.1 -4.0 4.6 169 179 A S H - f 0 210A 17 -30,-0.3 4,-1.7 -2,-0.3 5,-0.2 -0.736 28.9-113.8-107.0 159.2 24.8 -6.6 0.5 180 190 A A H > S+ 0 0 17 30,-1.1 4,-1.7 -2,-0.3 3,-0.3 0.930 117.8 46.6 -51.9 -51.3 27.2 -3.6 1.0 181 191 A D H > S+ 0 0 131 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.943 107.3 54.3 -55.9 -58.1 26.2 -2.3 -2.4 182 192 A E H 4 S+ 0 0 28 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.782 105.8 54.5 -51.8 -32.1 22.5 -2.7 -2.1 183 193 A L H >X S+ 0 0 2 -4,-1.7 4,-3.0 -3,-0.3 3,-1.9 0.988 111.9 42.9 -66.3 -56.5 22.5 -0.7 1.1 184 194 A C H 3X S+ 0 0 28 -4,-1.7 4,-1.7 1,-0.3 5,-0.3 0.940 112.6 54.2 -50.5 -52.5 24.3 2.3 -0.6 185 195 A Q H 3< S+ 0 0 92 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.583 117.8 37.2 -60.4 -10.7 22.0 1.8 -3.6 186 196 A L H <4 S+ 0 0 35 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.820 116.3 45.7-105.3 -53.5 19.0 2.1 -1.2 187 197 A S H < S- 0 0 39 -4,-3.0 -2,-0.2 8,-0.2 -3,-0.2 0.611 101.9-126.8 -66.1 -14.9 20.0 4.7 1.5 188 198 A G < + 0 0 72 -4,-1.7 -3,-0.1 -5,-0.4 2,-0.1 0.400 68.9 135.4 78.5 -3.6 21.2 6.9 -1.4 189 199 A A - 0 0 28 -6,-0.3 -1,-0.3 -5,-0.3 3,-0.1 -0.440 57.1-146.4 -80.4 150.8 24.4 6.9 0.6 190 200 A S S S+ 0 0 118 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.657 90.8 53.2 -88.6 -20.7 27.9 6.4 -0.8 191 201 A H S > S- 0 0 27 1,-0.2 3,-3.4 -7,-0.1 4,-0.4 -0.906 72.1-154.9-120.7 102.3 29.3 4.7 2.2 192 202 A W G > S+ 0 0 50 -2,-0.6 3,-2.8 1,-0.3 -1,-0.2 0.833 95.6 62.1 -39.8 -44.8 27.2 1.7 3.3 193 203 A Q G > S+ 0 0 107 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.788 93.0 64.2 -56.3 -27.9 28.5 2.0 6.8 194 204 A D G < S+ 0 0 124 -3,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.576 120.2 23.9 -71.8 -8.3 26.9 5.5 6.9 195 205 A A G < S+ 0 0 17 -3,-2.8 3,-0.4 -4,-0.4 -1,-0.3 -0.245 79.1 122.4-153.0 54.8 23.6 3.6 6.5 196 206 A R S < S+ 0 0 61 -3,-0.9 4,-0.3 1,-0.2 3,-0.2 0.464 75.1 59.5 -97.9 -4.2 23.9 0.1 7.8 197 207 A Y S > S+ 0 0 66 1,-0.2 4,-2.5 -4,-0.1 -1,-0.2 0.096 78.3 111.0-102.9 17.6 21.2 0.4 10.4 198 208 A Y T 4 S+ 0 0 51 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.1 0.920 80.4 34.9 -56.7 -51.8 19.1 1.1 7.3 199 209 A L T >4>S+ 0 0 3 -3,-0.2 3,-2.1 1,-0.2 5,-1.4 0.909 114.5 57.9 -72.5 -42.0 17.1 -2.1 7.4 200 210 A R G >45S+ 0 0 94 1,-0.3 3,-1.8 -4,-0.3 -2,-0.2 0.907 104.6 51.0 -54.3 -43.8 17.0 -2.2 11.2 201 211 A D G 3<5S+ 0 0 108 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.512 103.8 62.7 -73.4 -1.6 15.3 1.2 11.3 202 212 A L G < 5S- 0 0 47 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.428 134.2 -78.3-100.7 -1.7 12.8 -0.3 8.8 203 213 A G T < 5S+ 0 0 50 -3,-1.8 2,-0.5 -4,-0.3 -3,-0.2 0.360 95.3 112.3 125.7 -6.9 11.6 -2.9 11.3 204 214 A C < - 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