==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-OCT-96 1OSJ . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR C.QU,S.AKANUMA,H.MORIYAMA,N.TANAKA,T.OSHIMA . 690 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 8.1 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 . 0 0.0 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 . 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 . 36 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 2 0 0 2 0 2 3 2 2 3 2 0 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 PARALLEL BRIDGES PER LADDER . 1 2 0 4 0 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 . 0 0 1 0 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 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 29 0, 0.0 34,-2.4 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 122.0 46.8 48.0 21.4 2 2 A K E -a 35 0A 98 32,-0.2 63,-2.8 61,-0.1 64,-0.9 -0.834 360.0-177.2 -93.4 114.9 44.3 50.3 23.1 3 3 A V E -ab 36 66A 0 32,-2.5 34,-1.4 -2,-0.7 2,-0.6 -0.932 18.6-148.8-114.7 130.5 44.1 49.7 26.8 4 4 A A E -ab 37 67A 1 62,-2.7 64,-2.8 -2,-0.4 2,-0.5 -0.903 18.5-154.7 -97.9 121.3 41.7 51.6 29.1 5 5 A V E +ab 38 68A 0 32,-2.9 34,-2.8 -2,-0.6 64,-0.2 -0.885 17.5 178.5-101.6 125.6 43.3 52.0 32.6 6 6 A L E + b 0 69A 0 62,-2.6 64,-2.5 -2,-0.5 32,-0.1 -0.775 1.0 178.0-126.7 84.6 41.1 52.3 35.6 7 7 A P E - 0 0 22 0, 0.0 64,-2.1 0, 0.0 2,-0.2 0.845 20.9-177.2 -54.0 -44.5 43.4 52.6 38.7 8 8 A G E - b 0 71A 9 31,-0.4 64,-0.3 62,-0.2 2,-0.1 -0.478 31.4 -22.8 83.3-146.2 40.7 53.0 41.2 9 9 A D S > S- 0 0 7 62,-1.7 3,-2.4 -2,-0.2 62,-0.3 -0.424 99.7 -1.9-104.6 171.2 41.2 53.6 45.0 10 10 A G T 3 S- 0 0 27 1,-0.3 4,-0.3 2,-0.1 271,-0.2 -0.272 132.5 -5.2 55.3-120.6 43.8 53.0 47.6 11 11 A I T 3> S+ 0 0 11 264,-2.6 4,-2.8 1,-0.2 5,-0.4 0.517 109.3 99.9 -81.9 -7.0 46.9 51.2 46.3 12 12 A G H <> S+ 0 0 0 -3,-2.4 4,-2.7 1,-0.2 5,-0.2 0.895 82.9 46.6 -45.6 -52.2 45.2 50.8 42.9 13 13 A P H > S+ 0 0 62 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 114.1 49.1 -60.2 -40.3 47.1 53.7 41.3 14 14 A E H > S+ 0 0 38 -4,-0.3 4,-1.5 -3,-0.2 -2,-0.2 0.938 116.0 39.8 -64.3 -53.5 50.4 52.5 42.8 15 15 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.910 115.2 53.2 -65.7 -40.1 50.1 48.9 41.6 16 16 A T H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.4 -2,-0.2 0.912 106.4 52.7 -62.8 -40.3 48.6 49.9 38.2 17 17 A E H X S+ 0 0 72 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.893 106.8 53.5 -63.1 -36.5 51.5 52.3 37.6 18 18 A A H X S+ 0 0 2 -4,-1.5 4,-1.5 1,-0.2 3,-0.5 0.961 109.1 48.5 -61.0 -48.9 53.9 49.5 38.3 19 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.890 109.0 54.4 -58.9 -39.3 52.1 47.4 35.6 20 20 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.827 102.0 56.2 -66.9 -32.4 52.2 50.3 33.2 21 21 A K H X S+ 0 0 51 -4,-1.8 4,-1.9 -3,-0.5 -1,-0.2 0.894 109.3 47.5 -65.5 -38.1 56.0 50.6 33.5 22 22 A V H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.943 112.9 48.1 -66.6 -46.0 56.3 47.0 32.5 23 23 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 111.7 49.5 -59.3 -47.3 53.9 47.5 29.5 24 24 A R H X S+ 0 0 71 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.866 110.5 51.6 -61.1 -38.2 55.8 50.6 28.4 25 25 A A H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.911 111.0 45.8 -65.6 -44.4 59.1 48.7 28.5 26 26 A L H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.840 112.4 53.9 -67.0 -31.8 57.7 45.8 26.4 27 27 A D H X>S+ 0 0 41 -4,-2.2 4,-1.7 -5,-0.2 5,-0.7 0.930 110.6 43.7 -66.2 -49.2 56.3 48.4 24.0 28 28 A E H <5S+ 0 0 156 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.903 120.3 43.1 -63.4 -43.6 59.6 50.2 23.5 29 29 A A H <5S+ 0 0 70 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.942 128.0 25.2 -69.8 -51.8 61.5 46.9 23.2 30 30 A E H <5S- 0 0 98 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.448 100.2-122.3 -96.1 -0.6 59.1 45.0 21.0 31 31 A G T <5 + 0 0 63 -4,-1.7 -3,-0.2 -5,-0.2 -4,-0.2 0.985 46.7 166.3 56.4 63.1 57.4 47.9 19.2 32 32 A L < - 0 0 41 -5,-0.7 -5,-0.1 -6,-0.1 -1,-0.1 0.595 43.1-127.7 -84.5 -18.5 53.9 46.9 20.4 33 33 A G - 0 0 52 -6,-0.3 2,-0.1 1,-0.2 -5,-0.0 0.917 39.6-177.6 69.7 39.5 52.0 50.1 19.5 34 34 A L + 0 0 23 -11,-0.1 2,-0.3 -10,-0.1 -32,-0.2 -0.449 8.4 175.2 -70.2 147.2 50.5 50.4 23.0 35 35 A A E +a 2 0A 48 -34,-2.4 -32,-2.5 -2,-0.1 2,-0.3 -0.955 7.1 165.8-151.8 135.6 48.2 53.3 23.6 36 36 A Y E -a 3 0A 75 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.998 22.0-161.1-156.6 156.9 46.2 53.9 26.8 37 37 A E E -a 4 0A 96 -34,-1.4 -32,-2.9 -2,-0.3 2,-0.4 -0.992 21.2-131.1-137.9 142.9 44.2 56.3 28.8 38 38 A V E -a 5 0A 88 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.798 24.3-166.3-100.5 135.8 43.3 56.3 32.5 39 39 A F - 0 0 30 -34,-2.8 -31,-0.4 -2,-0.4 2,-0.1 -0.902 27.1 -99.6-122.1 150.2 39.7 56.9 33.6 40 40 A P + 0 0 48 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.406 49.0 166.0 -66.5 138.1 38.1 57.6 37.0 41 41 A F > - 0 0 0 -2,-0.1 3,-0.9 12,-0.1 4,-0.3 -0.991 41.0 -5.5-155.1 150.9 36.5 54.6 38.7 42 42 A G T >> S- 0 0 0 10,-1.5 4,-2.0 -2,-0.3 3,-1.1 -0.289 126.1 -11.1 66.0-146.1 35.2 53.7 42.1 43 43 A G H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.857 134.8 62.1 -54.6 -37.1 35.5 56.2 44.9 44 44 A A H <4 S+ 0 0 47 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.859 109.1 41.7 -57.3 -37.3 37.9 58.3 42.7 45 45 A A H X> S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.3 3,-1.3 0.809 108.8 58.3 -80.9 -32.4 35.0 58.7 40.3 46 46 A I H 3X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.3 3,-0.3 0.951 100.2 59.2 -61.2 -43.2 32.4 59.3 43.1 47 47 A D H 3< S+ 0 0 90 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 0.155 121.4 24.4 -72.1 21.1 34.5 62.2 44.3 48 48 A A H <4 S+ 0 0 70 -3,-1.3 -1,-0.2 -2,-0.2 -2,-0.2 0.410 137.0 22.4-158.3 -17.0 34.1 63.9 40.9 49 49 A F H < S- 0 0 102 -4,-2.2 -3,-0.2 -3,-0.3 -2,-0.2 0.316 93.6-119.0-138.5 -1.4 30.9 62.6 39.2 50 50 A G S < S+ 0 0 40 -4,-2.2 -4,-0.2 -5,-0.5 -3,-0.1 0.333 89.2 75.4 76.4 -9.2 28.9 61.3 42.1 51 51 A E S S- 0 0 71 -6,-0.6 -3,-0.1 1,-0.1 -2,-0.1 -0.997 77.0-130.9-140.3 143.9 28.9 57.8 40.7 52 52 A P S S+ 0 0 6 0, 0.0 -10,-1.5 0, 0.0 -7,-0.2 0.711 103.4 36.6 -59.2 -33.3 31.5 54.9 40.5 53 53 A F S S- 0 0 6 -12,-0.2 -12,-0.1 -8,-0.1 2,-0.1 -0.735 82.5-176.1-127.1 78.5 31.1 54.2 36.8 54 54 A P >> - 0 0 3 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.330 38.3-103.0 -73.4 162.9 30.5 57.5 35.0 55 55 A E H 3> S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.836 117.2 56.5 -53.4 -47.2 29.7 57.9 31.2 56 56 A P H 3> S+ 0 0 65 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.895 112.1 44.5 -55.7 -37.4 33.2 59.1 30.1 57 57 A T H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 5,-0.3 0.904 109.6 55.8 -72.5 -41.4 34.6 55.9 31.6 58 58 A R H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.955 111.3 43.8 -53.6 -53.0 31.9 53.7 30.1 59 59 A K H X S+ 0 0 88 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.817 111.4 56.0 -63.8 -31.6 32.7 55.0 26.7 60 60 A G H >X S+ 0 0 5 -4,-1.4 4,-1.3 -5,-0.3 3,-0.7 0.937 109.8 42.9 -67.8 -45.9 36.4 54.6 27.4 61 61 A V H 3< S+ 0 0 0 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.889 111.8 55.6 -68.8 -35.0 36.1 50.9 28.2 62 62 A E H 3< S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.652 111.1 44.8 -73.2 -12.1 33.8 50.4 25.3 63 63 A E H << S+ 0 0 96 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.657 99.6 81.1-102.0 -21.0 36.4 51.8 22.9 64 64 A A S < S- 0 0 11 -4,-1.3 -61,-0.2 -3,-0.2 3,-0.1 -0.416 75.8-132.6 -82.8 162.6 39.5 50.1 24.3 65 65 A E S S+ 0 0 99 -63,-2.8 2,-0.3 1,-0.3 -62,-0.2 0.593 89.0 5.3 -88.3 -11.9 40.5 46.5 23.4 66 66 A A E -b 3 0A 0 -64,-0.9 -62,-2.7 200,-0.2 2,-0.4 -0.963 68.1-130.5-168.0 149.0 41.2 45.6 27.1 67 67 A V E -bc 4 268A 0 200,-2.6 202,-2.2 -2,-0.3 2,-0.7 -0.934 6.9-159.6-112.2 134.0 40.8 47.2 30.5 68 68 A L E -bc 5 269A 2 -64,-2.8 -62,-2.6 -2,-0.4 2,-0.3 -0.929 22.1-173.1-110.6 99.7 43.5 47.3 33.2 69 69 A L E -b 6 0A 1 200,-2.7 3,-0.1 -2,-0.7 -61,-0.1 -0.710 9.1-170.4 -96.6 148.8 41.7 47.8 36.5 70 70 A G E - 0 0 0 -64,-2.5 2,-0.3 -2,-0.3 -62,-0.2 0.469 47.6 -37.6-102.6-115.5 43.4 48.4 39.8 71 71 A S E -b 8 0A 3 -64,-2.1 -62,-1.7 -62,-0.3 2,-0.3 -0.843 47.4-164.5-118.5 155.7 41.7 48.4 43.2 72 72 A V + 0 0 23 -2,-0.3 203,-0.4 -64,-0.3 2,-0.1 -0.979 43.2 55.8-138.8 144.4 38.3 49.7 44.2 73 73 A G + 0 0 7 -2,-0.3 3,-0.1 201,-0.1 -2,-0.0 -0.188 38.8 176.1 115.3 155.8 36.9 50.5 47.6 74 74 A G >> - 0 0 9 -2,-0.1 3,-1.9 -65,-0.1 4,-0.6 -0.819 44.5-107.3 173.1 148.5 37.6 52.5 50.7 75 75 A P G >4 S+ 0 0 89 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.833 109.5 75.7 -56.7 -31.2 36.2 53.4 54.1 76 76 A K G 34 S+ 0 0 147 1,-0.2 4,-0.1 2,-0.1 3,-0.0 0.683 107.5 29.3 -55.6 -20.1 35.4 56.9 52.7 77 77 A W G X4 S+ 0 0 24 -3,-1.9 3,-1.2 2,-0.1 -1,-0.2 0.457 84.9 104.4-122.5 -1.6 32.4 55.5 50.8 78 78 A D T << S+ 0 0 85 -3,-0.9 -2,-0.1 -4,-0.6 -1,-0.1 0.815 83.6 52.5 -49.1 -37.6 31.2 52.5 52.9 79 79 A G T 3 S+ 0 0 77 -4,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.777 84.1 105.9 -72.6 -28.8 28.2 54.5 54.1 80 80 A L S < S- 0 0 55 -3,-1.2 5,-0.1 1,-0.1 -3,-0.0 -0.097 86.4 -87.4 -52.1 149.5 27.0 55.6 50.7 81 81 A P > - 0 0 70 0, 0.0 3,-3.0 0, 0.0 4,-0.5 -0.358 38.7-110.4 -61.9 140.7 23.8 53.8 49.4 82 82 A R G > S+ 0 0 155 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.784 113.2 72.4 -39.8 -39.7 24.4 50.6 47.5 83 83 A K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 5,-0.0 -3,-0.0 0.782 114.5 21.1 -50.5 -33.2 23.4 52.3 44.3 84 84 A I G < S+ 0 0 58 -3,-3.0 -1,-0.3 -33,-0.1 -2,-0.2 0.230 85.8 130.1-125.4 17.0 26.6 54.3 44.2 85 85 A R X> - 0 0 55 -3,-1.2 3,-1.9 -4,-0.5 4,-0.8 -0.448 69.8-114.6 -68.4 146.4 29.1 52.4 46.4 86 86 A P H >> S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.849 116.2 60.8 -49.2 -37.6 32.5 51.9 44.6 87 87 A E H >> S+ 0 0 57 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.763 95.9 60.1 -63.0 -29.1 31.8 48.1 44.6 88 88 A T H <> S+ 0 0 27 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.800 91.7 68.9 -70.1 -26.8 28.6 48.6 42.5 89 89 A G H S+ 0 0 55 -4,-2.8 5,-2.2 2,-0.2 4,-0.4 0.919 117.3 47.8 -64.8 -44.7 30.8 43.6 34.2 95 95 A K H ><5S+ 0 0 164 -4,-2.8 3,-0.8 -5,-0.3 -2,-0.2 0.894 110.0 52.4 -63.6 -41.7 27.1 44.0 33.3 96 96 A S H 3<5S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 116.8 37.6 -67.0 -33.2 27.8 46.6 30.7 97 97 A Q T 3<5S- 0 0 19 -4,-1.5 168,-3.3 -5,-0.2 167,-0.4 0.298 109.1-120.6-102.0 7.1 30.4 44.5 28.8 98 98 A D T < 5 + 0 0 54 -3,-0.8 166,-2.4 -4,-0.4 2,-0.6 0.955 44.9 175.4 52.7 59.6 28.5 41.2 29.3 99 99 A L E < +D 263 0A 2 -5,-2.2 164,-0.3 164,-0.3 -1,-0.2 -0.866 14.1 156.0 -97.4 123.2 31.4 39.5 31.2 100 100 A F E + 0 0 10 162,-1.6 34,-3.2 -2,-0.6 2,-0.5 0.566 51.7 70.7-122.9 -16.8 30.3 36.0 32.5 101 101 A A E -DE 262 133A 0 161,-2.4 161,-3.0 32,-0.2 2,-0.6 -0.927 58.2-164.3-110.7 122.8 33.6 34.1 32.9 102 102 A N E -DE 261 132A 4 30,-3.0 30,-3.0 -2,-0.5 2,-0.6 -0.929 10.6-153.4-106.0 116.7 36.0 35.0 35.7 103 103 A L E +DE 260 131A 0 157,-3.5 157,-1.4 -2,-0.6 28,-0.2 -0.857 16.2 176.7 -96.0 116.7 39.5 33.5 35.2 104 104 A R E - E 0 130A 16 26,-2.9 26,-2.5 -2,-0.6 2,-0.3 -0.920 10.9-162.8-123.7 102.0 41.5 32.8 38.4 105 105 A P E - E 0 129A 24 0, 0.0 2,-0.5 0, 0.0 24,-0.2 -0.686 9.6-169.8 -88.8 136.9 44.9 31.1 37.9 106 106 A A E + E 0 128A 2 22,-2.9 22,-2.1 -2,-0.3 2,-0.4 -0.966 20.8 166.6-124.2 106.5 46.8 29.5 40.7 107 107 A K E - E 0 127A 62 -2,-0.5 2,-0.8 20,-0.2 20,-0.2 -0.988 30.3-146.7-128.1 131.9 50.3 28.6 39.5 108 108 A V - 0 0 6 18,-2.2 17,-0.4 -2,-0.4 5,-0.1 -0.895 24.4-139.4 -99.4 107.9 53.3 27.6 41.5 109 109 A F > - 0 0 28 -2,-0.8 3,-2.7 1,-0.1 4,-0.3 -0.443 29.9 -95.8 -68.7 135.0 56.4 29.0 39.8 110 110 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 -0.264 113.6 22.7 -51.1 132.8 59.4 26.7 39.8 111 111 A G T 3 S+ 0 0 40 -3,-0.1 3,-0.3 209,-0.0 -2,-0.1 0.198 106.7 82.9 93.3 -15.4 61.7 27.5 42.6 112 112 A L X + 0 0 11 -3,-2.7 3,-1.9 1,-0.2 4,-0.5 0.367 53.4 105.1-102.2 6.3 58.9 29.1 44.6 113 113 A E G > + 0 0 35 1,-0.3 3,-1.8 -4,-0.3 -1,-0.2 0.849 68.6 70.1 -52.9 -38.4 57.6 25.9 46.1 114 114 A R G 3 S+ 0 0 193 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.779 91.4 60.2 -50.1 -32.2 59.2 26.8 49.4 115 115 A L G < S+ 0 0 83 -3,-1.9 -1,-0.3 136,-0.1 -2,-0.2 0.746 85.9 96.4 -71.0 -26.0 56.6 29.5 49.8 116 116 A S S < S- 0 0 2 -3,-1.8 134,-0.1 -4,-0.5 4,-0.1 -0.252 73.8-135.8 -68.1 149.7 53.6 27.2 49.7 117 117 A P S S+ 0 0 10 0, 0.0 348,-2.5 0, 0.0 2,-0.2 0.618 85.7 84.3 -77.7 -13.1 51.9 25.8 52.9 118 118 A L B S-J 464 0B 0 132,-0.3 346,-0.3 346,-0.3 5,-0.1 -0.615 99.1 -88.1 -91.7 151.3 51.8 22.4 51.2 119 119 A K >> - 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0 0 42 -266,-0.2 3,-1.4 -265,-0.1 4,-0.3 0.901 16.8-174.5 41.0 60.7 44.4 48.5 51.2 277 277 A P G > S+ 0 0 46 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.860 73.1 57.3 -50.4 -47.3 43.5 52.1 51.9 278 278 A D G 3 S+ 0 0 137 1,-0.3 -2,-0.1 3,-0.0 -268,-0.0 0.667 109.2 45.7 -63.0 -19.2 45.6 52.5 55.1 279 279 A I G X S+ 0 0 59 -3,-1.4 3,-1.0 -4,-0.1 6,-0.3 0.334 87.1 127.1-106.1 7.3 48.8 51.5 53.3 280 280 A A T < + 0 0 26 -3,-1.7 -269,-0.1 -4,-0.3 -270,-0.1 -0.332 69.7 14.2 -69.0 142.4 48.2 53.8 50.3 281 281 A G T 3 S+ 0 0 70 -271,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.682 100.6 95.6 68.8 22.8 50.8 56.3 49.1 282 282 A K S < S- 0 0 129 -3,-1.0 2,-0.3 1,-0.6 -2,-0.1 0.388 83.8-126.9-121.8 4.5 53.6 54.8 51.2 283 283 A G S S+ 0 0 22 -4,-0.2 2,-2.5 1,-0.1 -1,-0.6 -0.672 80.1 101.1 79.7-143.4 55.3 52.5 48.6 284 284 A I + 0 0 68 -2,-0.3 42,-0.4 1,-0.1 -1,-0.1 -0.008 49.2 127.5 59.0 -34.9 55.5 49.0 50.2 285 285 A A - 0 0 7 -2,-2.5 -1,-0.1 -6,-0.3 -9,-0.0 -0.288 64.2-123.6 -56.3 130.7 52.5 47.8 48.2 286 286 A N - 0 0 14 1,-0.1 3,-0.4 -3,-0.1 4,-0.2 -0.690 22.5-170.3 -80.1 114.4 53.2 44.5 46.3 287 287 A P > + 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-0.3 0.351 55.5 109.2 -88.0 9.4 52.5 45.1 42.6 288 288 A T H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 78.7 46.3 -51.1 -46.9 52.9 41.4 41.7 289 289 A A H > S+ 0 0 0 -34,-0.6 4,-1.7 -3,-0.4 -1,-0.2 0.847 112.9 50.6 -66.6 -36.5 49.1 40.8 41.1 290 290 A A H > S+ 0 0 2 -3,-0.3 4,-1.8 -4,-0.2 -2,-0.2 0.933 112.6 45.4 -68.2 -46.4 48.9 44.0 39.0 291 291 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.920 113.1 50.2 -64.4 -41.2 51.9 43.0 36.8 292 292 A L H X S+ 0 0 15 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.849 106.8 55.8 -66.4 -31.0 50.5 39.5 36.5 293 293 A S H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.898 106.7 49.4 -65.3 -40.6 47.2 40.9 35.4 294 294 A A H X S+ 0 0 2 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.851 109.0 53.5 -66.5 -34.3 49.0 42.8 32.7 295 295 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.904 107.9 49.9 -66.7 -39.0 50.6 39.5 31.7 296 296 A M H X S+ 0 0 10 -4,-2.2 4,-3.4 1,-0.2 5,-0.4 0.894 108.6 53.7 -64.6 -39.5 47.2 37.9 31.5 297 297 A M H X>S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-1.3 0.924 105.5 51.9 -59.6 -49.8 46.0 40.8 29.3 298 298 A L H <5S+ 0 0 1 -4,-2.1 6,-2.2 3,-0.2 4,-0.3 0.893 118.2 39.4 -55.5 -40.0 48.9 40.3 26.8 299 299 A E H X5S+ 0 0 47 -4,-1.7 4,-0.6 4,-0.2 -2,-0.2 0.952 126.0 30.0 -77.8 -50.6 48.0 36.6 26.6 300 300 A H H <5S+ 0 0 61 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.772 128.6 33.7 -83.1 -31.4 44.1 36.7 26.6 301 301 A A T <5S+ 0 0 32 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.1 0.776 136.5 19.5 -96.2 -28.2 43.3 40.0 25.0 302 302 A F T 4 + 0 0 61 -6,-2.2 4,-1.8 1,-0.2 3,-0.2 -0.379 17.0 160.8 -73.7 71.6 51.1 37.6 23.0 305 305 A V H > + 0 0 52 -2,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.919 67.7 49.7 -59.6 -52.4 51.6 34.3 24.9 306 306 A E H > S+ 0 0 155 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.802 110.9 51.5 -59.3 -32.4 55.4 34.2 24.9 307 307 A L H > S+ 0 0 22 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 108.6 51.2 -72.2 -36.9 55.5 37.8 26.2 308 308 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.943 110.8 48.3 -63.8 -46.8 53.1 36.9 29.0 309 309 A R H X S+ 0 0 100 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.868 107.8 57.8 -60.4 -36.9 55.4 34.0 29.9 310 310 A K H X S+ 0 0 71 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.928 109.4 41.6 -62.2 -45.0 58.3 36.4 29.8 311 311 A V H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.810 110.8 57.2 -75.5 -25.0 56.8 38.8 32.4 312 312 A E H X S+ 0 0 22 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 107.9 48.0 -68.1 -41.2 55.7 35.9 34.6 313 313 A D H X S+ 0 0 80 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.890 108.9 55.5 -64.7 -38.9 59.2 34.6 34.7 314 314 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.873 110.0 43.2 -61.8 -44.0 60.4 38.1 35.6 315 315 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.838 111.2 56.3 -72.9 -32.3 58.2 38.5 38.6 316 316 A A H X S+ 0 0 9 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.946 111.0 43.8 -62.4 -46.6 59.0 34.9 39.7 317 317 A K H X S+ 0 0 75 -4,-2.5 4,-2.7 1,-0.2 3,-0.4 0.938 113.8 52.2 -61.5 -46.5 62.7 35.9 39.7 318 318 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.822 104.3 54.0 -59.5 -40.4 61.9 39.2 41.4 319 319 A L H < S+ 0 0 14 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.846 114.2 44.2 -63.7 -35.0 59.9 37.6 44.3 320 320 A L H < S+ 0 0 104 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.934 123.4 33.8 -72.4 -51.4 63.0 35.4 44.9 321 321 A E H < S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.933 135.3 16.2 -74.0 -53.7 65.6 38.1 44.6 322 322 A T S < S- 0 0 38 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.477 79.2-169.7-124.4 65.7 63.8 41.2 46.0 323 323 A P - 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0 0 34 0, 0.0 8,-1.4 0, 0.0 7,-0.6 -0.159 23.3-112.7 -54.4 137.9 51.1 1.5 62.0 670 324 B P > > - 0 0 1 0, 0.0 3,-1.5 0, 0.0 5,-0.6 -0.158 34.4 -96.5 -65.6 167.0 48.4 -0.2 59.9 671 325 B P G > 5S+ 0 0 44 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.870 123.3 58.1 -56.2 -39.8 49.0 -1.1 56.2 672 326 B D G 3 5S+ 0 0 89 -42,-0.3 -41,-0.0 1,-0.3 4,-0.0 0.762 105.5 52.8 -64.3 -18.9 47.3 2.1 54.8 673 327 B L G < 5S- 0 0 19 -3,-1.5 -1,-0.3 -74,-0.0 3,-0.1 0.103 134.8 -90.9 -98.7 19.6 49.8 4.0 56.9 674 328 B G T < 5S+ 0 0 70 -3,-2.2 2,-0.2 1,-0.2 -2,-0.2 0.953 94.1 110.4 70.8 50.6 52.6 2.1 55.2 675 329 B G < - 0 0 27 -5,-0.6 -1,-0.2 -4,-0.3 -7,-0.1 -0.715 67.9-129.7-138.4-170.0 52.7 -0.6 57.9 676 330 B S + 0 0 118 -7,-0.6 2,-0.8 -2,-0.2 -8,-0.0 0.163 61.6 120.1-134.9 17.9 51.9 -4.3 58.3 677 331 B A - 0 0 13 -8,-1.4 -2,-0.1 4,-0.1 -9,-0.0 -0.779 49.7-152.5 -91.5 110.9 49.8 -4.4 61.5 678 332 B G > - 0 0 19 -2,-0.8 4,-2.8 -8,-0.2 5,-0.3 -0.145 37.7 -80.6 -71.9 176.7 46.4 -5.8 60.8 679 333 B T H > S+ 0 0 10 -50,-1.7 4,-2.1 1,-0.2 5,-0.2 0.874 127.6 40.5 -44.2 -57.1 43.2 -5.0 62.7 680 334 B E H > S+ 0 0 121 -51,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.930 116.1 46.7 -61.4 -53.9 43.8 -7.4 65.6 681 335 B A H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 113.5 51.3 -59.9 -35.8 47.6 -6.8 66.1 682 336 B F H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.903 109.1 48.9 -68.7 -42.4 46.9 -3.0 65.9 683 337 B T H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.825 106.2 59.4 -65.4 -30.4 44.2 -3.1 68.5 684 338 B A H X S+ 0 0 37 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.941 103.4 50.3 -63.0 -46.1 46.6 -5.2 70.7 685 339 B T H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.872 109.9 50.8 -60.9 -37.4 49.1 -2.3 70.6 686 340 B V H < S+ 0 0 0 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.945 111.2 48.0 -65.3 -46.5 46.4 0.1 71.7 687 341 B L H >X S+ 0 0 50 -4,-2.4 3,-1.2 1,-0.2 4,-0.9 0.893 106.0 58.5 -60.7 -40.1 45.4 -2.2 74.5 688 342 B R H >< S+ 0 0 131 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.907 109.6 43.6 -57.0 -42.8 49.1 -2.5 75.6 689 343 B H T 3< S+ 0 0 64 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.518 110.3 57.7 -79.7 -6.1 49.3 1.3 76.0 690 344 B L T <4 0 0 36 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.531 360.0 360.0 -98.3 -11.5 45.9 1.3 77.7 691 345 B A << 0 0 149 -4,-0.9 -319,-0.0 -3,-0.7 -320,-0.0 -0.770 360.0 360.0 -89.8 360.0 47.1 -1.2 80.4