==== 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 OXIDOREDUCTASE 20-FEB-98 2AYQ . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS COAGULANS; . AUTHOR D.TSUCHIYA,A.TAKENAKA . 713 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 8.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 45 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 3 0 1 0 2 1 2 3 1 1 1 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 2 2 4 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 . 3 1 3 0 2 0 2 0 1 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 1 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 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 0 106 0, 0.0 34,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.4 26.0 77.9 51.9 2 2 A K E -a 35 0A 63 32,-0.2 2,-0.3 34,-0.1 34,-0.2 -0.798 360.0-177.8-109.1 150.5 24.9 75.3 49.3 3 3 A M E -a 36 0A 1 32,-2.2 34,-2.3 -2,-0.3 2,-0.5 -0.904 16.9-148.8-153.1 115.6 25.5 71.6 49.6 4 4 A K E -a 37 0A 31 -2,-0.3 63,-2.9 32,-0.2 64,-0.9 -0.764 23.4-169.6 -85.7 128.0 24.6 68.9 47.0 5 5 A L E -ab 38 68A 1 32,-3.4 34,-2.1 -2,-0.5 2,-0.4 -0.974 20.5-140.1-127.8 130.1 23.7 65.6 48.8 6 6 A A E -ab 39 69A 0 62,-1.9 64,-2.8 -2,-0.4 2,-0.6 -0.694 20.0-158.4 -82.5 131.9 23.2 62.2 47.3 7 7 A V E +ab 40 70A 4 32,-2.6 34,-1.7 -2,-0.4 64,-0.2 -0.952 15.1 176.9-118.1 107.6 20.3 60.5 49.1 8 8 A L E + b 0 71A 0 62,-2.4 64,-2.4 -2,-0.6 34,-0.1 -0.725 2.2 178.5-112.6 82.2 20.3 56.7 48.9 9 9 A P E - 0 0 20 0, 0.0 64,-1.0 0, 0.0 9,-0.2 0.697 22.3-167.2 -54.6 -24.0 17.3 55.6 51.0 10 10 A G E - b 0 73A 10 31,-0.4 2,-0.2 62,-0.2 64,-0.2 -0.407 30.1 -56.6 69.4-142.9 18.0 52.0 50.1 11 11 A D S > S+ 0 0 11 62,-2.4 3,-1.4 3,-0.1 62,-0.3 -0.762 94.5 27.7-132.3 175.1 15.3 49.5 50.9 12 12 A G T 3 S- 0 0 24 1,-0.3 4,-0.3 -2,-0.2 270,-0.2 -0.514 132.0 -13.8 72.8-140.6 13.2 48.3 53.9 13 13 A I T >> S+ 0 0 9 268,-3.6 4,-2.2 1,-0.2 3,-0.8 0.577 116.1 102.4 -69.9 -6.0 12.7 50.9 56.6 14 14 A G H <> S+ 0 0 0 -3,-1.4 4,-2.4 267,-0.3 -1,-0.2 0.883 79.9 42.4 -42.2 -59.1 15.5 52.7 54.8 15 15 A P H 3> S+ 0 0 65 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.762 112.3 57.3 -63.6 -26.0 13.2 55.2 53.0 16 16 A E H <> S+ 0 0 41 -3,-0.8 4,-1.0 -4,-0.3 -2,-0.2 0.942 113.3 35.8 -69.0 -52.5 11.2 55.7 56.2 17 17 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.866 111.5 62.3 -69.7 -36.9 14.1 56.8 58.4 18 18 A M H X S+ 0 0 3 -4,-2.4 4,-1.9 -5,-0.4 -1,-0.2 0.818 97.8 59.3 -59.1 -31.6 15.8 58.6 55.5 19 19 A D H X S+ 0 0 77 -4,-1.0 4,-2.6 2,-0.2 3,-0.3 0.979 103.0 49.7 -60.6 -57.3 12.7 60.9 55.4 20 20 A A H X S+ 0 0 1 -4,-1.0 4,-2.8 1,-0.3 5,-0.3 0.868 108.5 53.4 -49.6 -46.2 13.2 62.1 59.0 21 21 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -1,-0.3 0.923 110.8 47.7 -57.4 -44.2 16.8 62.9 58.3 22 22 A I H X S+ 0 0 45 -4,-1.9 4,-2.3 -3,-0.3 -2,-0.2 0.936 113.1 46.7 -64.1 -47.6 15.8 65.0 55.4 23 23 A R H X S+ 0 0 78 -4,-2.6 4,-2.7 2,-0.2 3,-0.2 0.971 116.5 43.2 -58.6 -57.8 13.1 66.9 57.2 24 24 A V H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.940 112.2 55.2 -51.9 -53.3 15.3 67.6 60.3 25 25 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 -1,-0.2 0.870 110.5 45.1 -47.9 -45.7 18.2 68.5 58.0 26 26 A K H X S+ 0 0 42 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.926 109.4 55.3 -67.4 -43.6 16.1 71.1 56.2 27 27 A T H < S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.0 38.8 -55.8 -42.4 14.7 72.5 59.5 28 28 A V H >< S+ 0 0 11 -4,-2.6 3,-1.1 -5,-0.2 4,-0.2 0.942 113.2 53.1 -74.4 -51.2 18.3 73.0 60.7 29 29 A L H ><>S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.3 5,-0.6 0.777 97.1 66.4 -57.4 -31.4 19.8 74.2 57.4 30 30 A D T 3<5S+ 0 0 105 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.112 79.8 87.6 -81.5 27.7 17.2 76.9 56.9 31 31 A N T < 5S+ 0 0 81 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 105.1 12.1 -90.6 -38.8 18.6 78.7 59.9 32 32 A D T < 5S- 0 0 63 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 -0.513 122.9 -71.5-140.7 65.6 21.3 80.7 58.2 33 33 A G T 5 + 0 0 66 -3,-0.2 2,-0.5 1,-0.2 -3,-0.2 0.927 69.0 165.9 46.4 71.7 20.7 80.5 54.4 34 34 A H < - 0 0 27 -5,-0.6 2,-0.9 -8,-0.1 -32,-0.2 -0.946 28.0-149.9-121.7 112.1 21.7 77.0 53.5 35 35 A E E -a 2 0A 52 -34,-2.0 -32,-2.2 -2,-0.5 2,-0.8 -0.707 13.8-164.2 -81.1 105.2 20.7 75.6 50.1 36 36 A A E -a 3 0A 25 -2,-0.9 2,-0.8 -34,-0.2 -32,-0.2 -0.834 3.0-167.9 -94.8 106.3 20.2 71.9 50.7 37 37 A V E -a 4 0A 84 -34,-2.3 -32,-3.4 -2,-0.8 2,-0.4 -0.835 6.4-170.2 -99.3 107.6 20.2 70.2 47.3 38 38 A F E -a 5 0A 62 -2,-0.8 2,-0.4 -34,-0.2 -32,-0.2 -0.762 9.5-175.4 -99.0 141.3 19.0 66.6 47.5 39 39 A E E -a 6 0A 103 -34,-2.1 -32,-2.6 -2,-0.4 2,-0.1 -0.950 17.0-145.2-137.5 110.7 19.2 64.1 44.7 40 40 A N E +a 7 0A 98 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.391 23.1 172.6 -72.9 155.4 17.7 60.7 45.3 41 41 A A - 0 0 9 -34,-1.7 -31,-0.4 -2,-0.1 2,-0.3 -0.933 27.4-105.5-154.1 171.7 19.2 57.6 43.8 42 42 A L + 0 0 59 -2,-0.3 2,-0.3 -34,-0.1 17,-0.1 -0.779 37.0 155.3-108.6 153.6 18.8 53.8 43.9 43 43 A I >> + 0 0 0 -2,-0.3 4,-0.9 12,-0.1 3,-0.7 -0.964 46.8 9.2-165.1 162.3 20.9 51.1 45.6 44 44 A G H >> S- 0 0 0 10,-1.3 4,-2.2 44,-0.3 3,-0.6 -0.110 122.8 -11.8 59.3-152.8 20.7 47.6 47.0 45 45 A G H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.821 134.5 58.1 -46.2 -44.7 17.5 45.6 46.3 46 46 A A H <> S+ 0 0 24 -3,-0.7 4,-1.6 1,-0.2 3,-0.4 0.948 110.0 44.7 -52.7 -51.4 15.5 48.6 45.1 47 47 A A H <<>S+ 0 0 0 -4,-0.9 5,-0.7 -3,-0.6 6,-0.5 0.916 104.4 63.2 -59.6 -45.8 18.1 49.1 42.4 48 48 A I H >X5S+ 0 0 20 -4,-2.2 4,-1.5 4,-0.2 3,-0.7 0.880 108.2 43.7 -47.5 -42.6 18.2 45.4 41.5 49 49 A D H 3<5S+ 0 0 63 -4,-1.9 2,-0.8 -3,-0.4 3,-0.3 0.998 120.3 35.9 -66.8 -70.3 14.6 45.7 40.5 50 50 A E T 3<5S+ 0 0 141 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.013 137.6 17.5 -77.7 32.2 14.6 48.9 38.5 51 51 A A T <45S- 0 0 56 -2,-0.8 -1,-0.2 -3,-0.7 -3,-0.2 0.332 94.3-118.9-172.5 -15.1 18.0 48.4 36.9 52 52 A G S <> - 0 0 14 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.494 21.0-130.3 -69.7 135.7 23.4 51.3 39.1 57 57 A E H 3> S+ 0 0 70 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.829 110.2 64.0 -54.2 -31.7 26.2 53.4 37.3 58 58 A E H 3> S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.942 98.8 52.7 -57.5 -46.3 23.7 56.2 37.4 59 59 A T H <> S+ 0 0 5 -3,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.881 105.9 54.2 -57.8 -41.3 23.9 56.1 41.2 60 60 A L H X S+ 0 0 20 -4,-1.4 4,-3.4 2,-0.2 -1,-0.2 0.921 108.2 47.9 -60.4 -45.2 27.7 56.4 41.0 61 61 A D H X S+ 0 0 97 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.928 110.6 52.6 -61.4 -43.2 27.5 59.5 38.9 62 62 A I H >< S+ 0 0 36 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.960 114.1 43.6 -54.3 -52.9 25.0 61.0 41.3 63 63 A C H >< S+ 0 0 0 -4,-2.9 3,-2.6 1,-0.2 -2,-0.2 0.932 106.9 58.2 -58.3 -52.5 27.4 60.2 44.1 64 64 A R H 3< S+ 0 0 135 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.698 109.4 46.9 -54.3 -22.8 30.5 61.5 42.3 65 65 A R T << S+ 0 0 76 -4,-1.3 2,-0.3 -3,-0.8 -1,-0.3 0.234 96.3 95.4-105.0 13.8 28.9 64.9 42.0 66 66 A S S < S- 0 0 13 -3,-2.6 -61,-0.2 1,-0.1 3,-0.1 -0.777 70.8-136.9-107.4 150.1 27.6 65.2 45.6 67 67 A D S S- 0 0 66 -63,-2.9 206,-0.3 -2,-0.3 2,-0.3 0.805 90.6 -12.9 -70.1 -31.2 29.3 67.0 48.5 68 68 A A E -b 5 0A 0 -64,-0.9 -62,-1.9 204,-0.2 2,-0.5 -0.958 69.8-123.2-163.5 158.4 28.4 64.0 50.8 69 69 A I E -bc 6 274A 0 204,-2.7 206,-2.4 -2,-0.3 2,-0.3 -0.954 14.5-160.1-121.4 120.4 26.2 60.9 50.5 70 70 A L E -bc 7 275A 1 -64,-2.8 -62,-2.4 -2,-0.5 2,-0.3 -0.723 17.8-170.3 -90.1 145.1 23.4 60.1 53.0 71 71 A L E -b 8 0A 2 204,-2.2 228,-0.1 -2,-0.3 -64,-0.0 -0.981 21.0-164.2-140.2 148.1 22.3 56.4 53.1 72 72 A G E - 0 0 0 -64,-2.4 2,-0.3 -2,-0.3 -62,-0.2 0.597 51.8 -70.3 -92.1-107.3 19.5 54.4 54.6 73 73 A A E -b 10 0A 7 -64,-1.0 -62,-2.4 -62,-0.3 2,-0.3 -0.968 34.5-142.3-151.8 159.4 20.1 50.6 54.6 74 74 A V + 0 0 18 -2,-0.3 207,-0.4 -64,-0.2 2,-0.2 -0.915 46.7 79.8-125.9 154.4 20.2 47.7 52.1 75 75 A G + 0 0 7 -2,-0.3 3,-0.1 205,-0.1 -2,-0.1 -0.438 32.6 170.7 129.7 154.9 19.0 44.1 52.4 76 76 A G > - 0 0 19 -2,-0.2 4,-1.0 1,-0.1 3,-0.2 -0.861 44.2-108.7 173.9 155.7 15.8 42.1 52.1 77 77 A P H > S+ 0 0 96 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.897 110.3 66.2 -63.3 -42.2 14.4 38.5 51.9 78 78 A K H >4 S+ 0 0 139 1,-0.2 3,-0.5 2,-0.2 -2,-0.0 0.891 111.4 30.2 -45.8 -53.3 13.6 38.9 48.2 79 79 A W H >4 S+ 0 0 29 1,-0.2 3,-1.6 -3,-0.2 -1,-0.2 0.593 97.2 86.6 -89.9 -10.3 17.2 39.2 47.0 80 80 A D H 3< S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.659 88.5 52.9 -65.0 -17.6 18.9 37.1 49.6 81 81 A H T << S+ 0 0 185 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.294 93.3 85.5-102.2 10.7 18.3 33.9 47.6 82 82 A N S < S- 0 0 49 -3,-1.6 5,-0.1 1,-0.2 -3,-0.0 -0.331 94.7 -60.2 -97.7-178.6 19.7 35.1 44.3 83 83 A P > - 0 0 87 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.338 48.8-109.4 -65.1 153.9 23.4 34.9 43.3 84 84 A A G > S+ 0 0 88 1,-0.3 3,-1.1 2,-0.2 6,-0.3 0.766 117.9 57.2 -49.5 -34.4 26.1 36.7 45.3 85 85 A S G 3 S+ 0 0 86 1,-0.2 -1,-0.3 5,-0.0 -3,-0.0 0.689 107.8 46.9 -73.7 -20.3 26.7 39.2 42.5 86 86 A L G < S+ 0 0 23 -3,-2.4 -1,-0.2 -33,-0.1 -2,-0.2 0.074 85.1 119.3-107.5 21.1 23.0 40.3 42.6 87 87 A R X - 0 0 24 -3,-1.1 3,-1.1 1,-0.1 4,-0.5 -0.775 69.2-129.2 -90.3 132.2 22.9 40.6 46.4 88 88 A P T >> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.720 100.5 68.6 -48.1 -34.3 22.0 44.1 47.7 89 89 A E H >> S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 3,-0.8 0.904 89.3 61.0 -57.8 -46.4 25.0 44.2 50.0 90 90 A K H <> S+ 0 0 41 -3,-1.1 4,-3.4 -6,-0.3 -1,-0.2 0.766 95.9 62.9 -55.8 -25.7 27.6 44.4 47.2 91 91 A G H <> S+ 0 0 1 -3,-0.9 4,-2.9 -4,-0.5 -1,-0.3 0.950 107.6 42.9 -64.1 -44.9 26.0 47.7 46.1 92 92 A L H S+ 0 0 60 -4,-2.6 5,-1.9 2,-0.2 4,-0.6 0.893 113.5 46.2 -64.0 -40.8 32.2 52.4 49.4 97 97 A K H ><5S+ 0 0 176 -4,-2.5 3,-0.9 -5,-0.3 -2,-0.2 0.927 111.4 51.7 -67.7 -43.6 35.1 51.0 47.3 98 98 A E H 3<5S+ 0 0 98 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.838 112.1 46.0 -63.2 -36.1 34.3 53.4 44.4 99 99 A M H 3<5S- 0 0 11 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.558 108.4-127.6 -83.5 -10.4 34.3 56.4 46.7 100 100 A G T <<5 + 0 0 39 -3,-0.9 2,-0.6 -4,-0.6 169,-0.3 0.942 41.6 171.6 63.4 50.6 37.5 55.2 48.3 101 101 A L < + 0 0 6 -5,-1.9 167,-0.3 1,-0.2 -1,-0.2 -0.836 7.5 163.7 -94.8 117.9 36.3 55.5 51.9 102 102 A F + 0 0 3 165,-1.0 34,-3.1 -2,-0.6 2,-0.5 0.739 51.7 69.4-105.8 -31.9 38.9 53.9 54.2 103 103 A A E -DE 135 267A 2 164,-2.0 164,-2.6 32,-0.2 2,-0.7 -0.806 60.4-158.9 -96.9 130.5 38.1 55.1 57.6 104 104 A N E -DE 134 266A 15 30,-3.0 30,-2.4 -2,-0.5 2,-0.6 -0.922 9.9-165.6-109.0 106.0 35.0 53.9 59.4 105 105 A L E +DE 133 265A 1 160,-2.8 160,-1.1 -2,-0.7 28,-0.2 -0.833 11.5 174.0 -94.5 114.2 34.0 56.3 62.1 106 106 A R E -D 132 0A 32 26,-2.3 26,-1.4 -2,-0.6 2,-0.2 -0.871 14.7-156.2-128.8 98.1 31.5 54.9 64.6 107 107 A P E -D 131 0A 22 0, 0.0 2,-0.4 0, 0.0 24,-0.3 -0.465 8.6-170.8 -75.9 142.8 30.6 57.1 67.7 108 108 A V E +D 130 0A 2 22,-2.8 22,-2.5 -2,-0.2 2,-0.3 -0.992 14.1 162.4-136.0 121.9 29.2 55.8 71.0 109 109 A K E -D 129 0A 74 -2,-0.4 20,-0.3 20,-0.2 2,-0.2 -0.968 36.8-103.3-139.4 156.6 28.0 58.1 73.8 110 110 A A - 0 0 13 18,-2.5 2,-0.5 -2,-0.3 3,-0.1 -0.526 22.3-162.1 -81.8 143.8 25.8 57.8 76.9 111 111 A Y >> - 0 0 11 145,-0.4 3,-2.5 -2,-0.2 4,-0.8 -0.977 17.5-140.4-127.9 111.8 22.2 59.0 77.0 112 112 A A G >4 S+ 0 0 51 -2,-0.5 3,-1.3 1,-0.3 4,-0.4 0.812 99.6 56.9 -38.0 -47.4 20.9 59.5 80.5 113 113 A T G 34 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.721 109.0 46.4 -63.4 -22.2 17.5 58.1 79.7 114 114 A L G X> S+ 0 0 0 -3,-2.5 3,-1.5 1,-0.2 4,-1.1 0.518 83.5 98.4 -98.3 -5.2 19.0 54.8 78.5 115 115 A L T << S+ 0 0 7 -3,-1.3 3,-0.4 -4,-0.8 -1,-0.2 0.812 76.7 58.5 -52.9 -36.1 21.3 54.5 81.5 116 116 A N T 34 S+ 0 0 94 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.818 108.2 47.9 -63.5 -31.6 19.0 52.1 83.3 117 117 A A T <4 S+ 0 0 31 -3,-1.5 -1,-0.2 218,-0.3 -2,-0.2 0.684 84.9 110.4 -83.3 -23.3 19.2 49.7 80.3 118 118 A S S < S- 0 0 0 -4,-1.1 360,-0.1 -3,-0.4 138,-0.1 -0.115 70.1-133.1 -52.5 148.3 23.0 49.7 79.9 119 119 A P S S+ 0 0 5 0, 0.0 359,-2.8 0, 0.0 2,-0.2 0.757 88.0 77.0 -75.6 -22.9 24.7 46.5 80.7 120 120 A L B S-J 477 0B 0 135,-0.7 357,-0.3 357,-0.3 2,-0.1 -0.576 99.8 -94.7 -87.1 151.0 27.3 48.5 82.7 121 121 A K >> - 0 0 33 355,-2.7 3,-2.9 -2,-0.2 4,-1.3 -0.445 43.1-109.4 -65.3 133.6 26.6 49.9 86.2 122 122 A R H 3> S+ 0 0 115 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.753 115.0 59.9 -28.0 -51.0 25.4 53.5 85.8 123 123 A E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.755 110.9 40.8 -58.0 -30.4 28.6 54.9 87.3 124 124 A R H <4 S+ 0 0 86 -3,-2.9 109,-0.4 352,-0.2 -1,-0.2 0.917 118.7 39.9 -84.2 -51.6 30.7 53.4 84.6 125 125 A V H >< S+ 0 0 0 -4,-1.3 3,-1.5 351,-0.2 -2,-0.2 0.695 92.9 100.4 -72.8 -24.9 28.7 53.9 81.4 126 126 A E T 3< S+ 0 0 91 -4,-2.2 107,-0.1 -5,-0.3 -5,-0.0 -0.273 87.6 19.1 -60.6 149.8 27.5 57.4 82.4 127 127 A N T 3 S+ 0 0 139 1,-0.2 -1,-0.2 105,-0.0 -2,-0.1 0.424 85.3 153.2 69.2 -2.3 29.5 60.2 80.7 128 128 A V < + 0 0 3 -3,-1.5 -18,-2.5 1,-0.1 -1,-0.2 -0.314 6.6 156.8 -59.2 140.2 30.8 57.9 77.9 129 129 A D E +D 109 0A 55 103,-0.3 -20,-0.2 106,-0.3 2,-0.2 -0.304 16.6 140.3-167.2 76.1 31.6 59.7 74.7 130 130 A L E -D 108 0A 0 -22,-2.5 -22,-2.8 -24,-0.0 2,-0.4 -0.687 34.9-149.0-120.0 172.3 34.0 58.0 72.4 131 131 A V E -Df 107 237A 3 105,-1.9 107,-3.0 -24,-0.3 2,-0.6 -0.994 9.5-150.6-143.0 126.9 34.6 57.4 68.7 132 132 A I E -Df 106 238A 1 -26,-1.4 -26,-2.3 -2,-0.4 2,-0.6 -0.906 8.0-159.6-102.5 124.3 36.2 54.4 67.2 133 133 A V E -Df 105 239A 0 105,-3.1 107,-1.8 -2,-0.6 2,-0.4 -0.938 13.8-168.7-104.3 117.9 38.0 55.0 63.9 134 134 A R E -Df 104 240A 35 -30,-2.4 -30,-3.0 -2,-0.6 2,-0.4 -0.900 22.1-126.1-113.1 140.1 38.5 51.7 62.0 135 135 A E E -D 103 0A 0 105,-1.8 -32,-0.2 -2,-0.4 110,-0.1 -0.689 27.2-179.7 -79.4 132.3 40.7 51.1 58.9 136 136 A L + 0 0 6 -34,-3.1 -1,-0.1 -2,-0.4 -33,-0.1 0.769 62.1 61.1-104.0 -34.1 38.6 49.5 56.2 137 137 A T S S+ 0 0 40 -35,-0.4 2,-0.1 29,-0.1 -34,-0.1 0.839 103.7 18.3 -68.1 -46.1 40.8 48.9 53.2 138 138 A G S S+ 0 0 2 -36,-0.1 3,-0.5 28,-0.1 24,-0.2 -0.154 72.5 84.3-111.4-152.2 43.6 46.5 54.3 139 139 A G B > S-K 161 0C 0 22,-2.3 22,-0.9 3,-0.2 3,-0.7 -0.458 97.3 -31.3 94.7-165.1 44.5 44.0 56.9 140 140 A L T 3 S+ 0 0 8 1,-0.2 3,-0.4 20,-0.2 19,-0.2 0.601 128.3 67.7 -68.9 -13.6 43.7 40.4 57.4 141 141 A Y T 3 S+ 0 0 30 -3,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.844 110.0 30.2 -77.1 -34.2 40.4 40.9 55.5 142 142 A F S < S+ 0 0 125 -3,-0.7 2,-0.3 19,-0.2 -1,-0.3 -0.676 95.5 107.3-125.8 75.9 41.9 41.6 52.2 143 143 A G - 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