==== 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 19-MAY-95 1IDM . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SAKURAI,M.OHZEKI,H.MORIYAMA,M.SATO,N.TANAKA . 343 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.4 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 . 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 . 14 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 0 1 0 2 1 0 1 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 0 0 1 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 . 1 0 0 0 0 0 0 0 1 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 32 0, 0.0 34,-3.1 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 85.0 23.7 30.4 117.1 2 2 A K E -a 35 0A 78 32,-0.2 63,-2.5 61,-0.1 64,-1.0 -0.843 360.0-177.8 -92.2 109.2 22.3 34.0 117.3 3 3 A V E -ab 36 66A 3 32,-2.4 34,-1.5 -2,-0.8 2,-0.6 -0.924 20.7-149.8-115.6 132.0 19.6 34.3 114.7 4 4 A A E -ab 37 67A 1 62,-2.9 64,-2.6 -2,-0.4 2,-0.5 -0.899 18.0-155.6 -98.5 119.2 17.6 37.5 114.0 5 5 A V E +ab 38 68A 1 32,-2.7 34,-3.0 -2,-0.6 64,-0.2 -0.859 16.6 179.7-102.4 127.6 14.1 36.6 112.7 6 6 A L E - b 0 69A 0 62,-2.9 64,-2.6 -2,-0.5 32,-0.1 -0.683 1.7-179.2-126.7 78.3 12.2 39.1 110.5 7 7 A P E - 0 0 25 0, 0.0 64,-1.6 0, 0.0 9,-0.1 0.794 21.6-174.8 -46.9 -41.1 8.9 37.4 109.7 8 8 A G E - b 0 71A 9 31,-0.4 64,-0.2 62,-0.2 2,-0.1 -0.434 29.5 -30.5 79.9-150.6 7.6 40.2 107.6 9 9 A D S > S+ 0 0 11 62,-2.6 3,-2.6 3,-0.1 62,-0.3 -0.439 98.9 1.5-105.8 176.7 4.1 40.5 106.0 10 10 A G T 3 S- 0 0 24 1,-0.3 4,-0.3 -2,-0.1 269,-0.2 -0.261 133.7 -1.9 53.6-120.1 1.4 38.2 104.7 11 11 A I T 3> S+ 0 0 11 262,-2.6 4,-2.6 1,-0.2 5,-0.3 0.504 109.1 100.0 -79.7 -4.1 2.4 34.6 105.0 12 12 A G H <> S+ 0 0 0 -3,-2.6 4,-2.9 1,-0.2 5,-0.3 0.920 78.6 48.9 -48.2 -59.8 5.8 35.5 106.5 13 13 A P H > S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.880 114.9 47.1 -51.7 -39.2 4.9 34.9 110.2 14 14 A E H > S+ 0 0 47 -4,-0.3 4,-1.4 -3,-0.2 -2,-0.2 0.925 116.2 39.9 -69.6 -48.6 3.5 31.5 109.3 15 15 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.880 114.6 54.3 -70.8 -35.2 6.2 30.2 107.1 16 16 A T H X S+ 0 0 5 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.900 106.8 50.6 -63.3 -44.3 9.0 31.6 109.4 17 17 A E H X S+ 0 0 62 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.878 105.8 57.0 -62.5 -36.6 7.5 29.9 112.4 18 18 A A H X S+ 0 0 3 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.885 107.3 48.0 -62.5 -36.1 7.5 26.6 110.5 19 19 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 3,-0.2 0.908 109.7 53.3 -69.2 -40.2 11.3 27.1 109.9 20 20 A L H X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.825 102.7 57.3 -62.7 -35.5 11.7 27.8 113.6 21 21 A K H X S+ 0 0 56 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.874 110.3 44.9 -63.7 -36.5 9.9 24.6 114.5 22 22 A V H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.2 -2,-0.2 0.926 113.9 48.8 -72.9 -44.0 12.5 22.8 112.5 23 23 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.878 111.0 50.0 -63.3 -39.0 15.4 24.8 114.0 24 24 A R H X S+ 0 0 78 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.871 108.5 53.3 -68.2 -34.7 14.2 24.2 117.5 25 25 A A H X S+ 0 0 24 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.901 110.8 45.8 -66.1 -42.9 13.9 20.5 116.9 26 26 A L H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.884 108.8 57.2 -66.7 -39.2 17.5 20.3 115.7 27 27 A D H X S+ 0 0 43 -4,-2.1 4,-2.0 2,-0.2 6,-0.3 0.878 107.6 47.0 -58.7 -42.3 18.6 22.4 118.6 28 28 A E H < S+ 0 0 159 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.962 117.4 43.8 -63.5 -49.0 17.1 19.8 121.0 29 29 A A H < S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.754 131.3 18.6 -68.1 -32.1 18.7 17.0 119.1 30 30 A E H < S- 0 0 89 -4,-2.8 -3,-0.2 -5,-0.1 -1,-0.2 0.444 93.4-123.6-120.7 -5.4 22.2 18.5 118.6 31 31 A G < + 0 0 59 -4,-2.0 -4,-0.2 -5,-0.4 -3,-0.1 0.982 41.7 168.5 58.5 60.4 22.5 21.3 121.1 32 32 A L - 0 0 39 -5,-0.2 -1,-0.1 -6,-0.1 -5,-0.1 0.629 47.1-123.3 -78.2 -14.5 23.3 24.0 118.6 33 33 A G - 0 0 50 -6,-0.3 2,-0.1 1,-0.2 -5,-0.0 0.927 38.4-166.6 70.6 43.6 22.8 26.7 121.2 34 34 A L + 0 0 26 -11,-0.1 2,-0.3 -10,-0.1 -32,-0.2 -0.426 15.2 174.4 -66.2 135.7 20.1 28.4 119.2 35 35 A A E +a 2 0A 48 -34,-3.1 -32,-2.4 -2,-0.1 2,-0.3 -0.909 8.7 167.9-146.5 109.5 19.2 31.9 120.4 36 36 A Y E -a 3 0A 87 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.903 18.0-169.0-127.6 157.0 16.8 33.9 118.3 37 37 A E E -a 4 0A 107 -34,-1.5 -32,-2.7 -2,-0.3 2,-0.4 -0.993 21.3-131.7-141.3 136.9 14.8 37.1 118.6 38 38 A V E -a 5 0A 83 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.789 24.2-170.4 -96.5 135.8 12.0 38.3 116.3 39 39 A F - 0 0 15 -34,-3.0 -31,-0.4 -2,-0.4 2,-0.2 -0.877 29.0 -99.9-123.0 156.1 12.0 41.9 115.0 40 40 A P + 0 0 39 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.546 49.9 162.0 -74.5 135.1 9.5 44.1 113.1 41 41 A F > + 0 0 2 -2,-0.2 3,-0.7 12,-0.1 4,-0.3 -0.988 38.5 4.5-152.5 151.4 10.3 44.4 109.3 42 42 A G T 3> S- 0 0 0 10,-1.8 4,-1.8 -2,-0.3 3,-0.5 -0.392 120.1 -13.1 78.4-150.2 8.5 45.4 106.2 43 43 A G H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.846 134.1 59.2 -57.2 -37.2 4.9 46.7 106.1 44 44 A A H <> S+ 0 0 46 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.895 107.0 48.5 -59.7 -39.1 4.3 45.6 109.7 45 45 A A H >>S+ 0 0 0 -3,-0.5 4,-3.4 -4,-0.3 5,-1.0 0.875 109.1 51.9 -69.2 -39.1 7.2 47.9 110.6 46 46 A I H X5S+ 0 0 24 -4,-1.8 4,-1.8 4,-0.3 -2,-0.2 0.966 112.6 45.8 -62.0 -47.8 5.8 50.8 108.6 47 47 A D H <5S+ 0 0 82 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.804 123.3 34.9 -64.4 -31.4 2.4 50.4 110.3 48 48 A A H <5S+ 0 0 68 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.749 139.6 10.1 -95.3 -27.8 4.0 50.1 113.7 49 49 A F H <5S- 0 0 118 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.539 94.9-111.4-128.5 -15.7 7.0 52.5 113.4 50 50 A G S <> - 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.207 35.0-101.0 -65.5 159.3 13.3 50.4 112.3 55 55 A E H 3> S+ 0 0 112 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.858 119.3 53.1 -46.5 -52.4 16.2 51.2 114.7 56 56 A P H 3> S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.843 111.7 48.1 -57.2 -32.9 15.6 48.2 117.0 57 57 A T H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.888 109.0 51.6 -73.8 -40.8 15.7 45.8 114.0 58 58 A R H X S+ 0 0 73 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.919 113.4 45.3 -61.9 -44.6 18.9 47.3 112.5 59 59 A K H X S+ 0 0 150 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.914 111.9 54.2 -65.7 -40.1 20.6 46.9 115.8 60 60 A G H X S+ 0 0 2 -4,-1.7 4,-0.7 -5,-0.3 -2,-0.2 0.865 109.1 44.8 -62.9 -40.7 19.2 43.4 116.1 61 61 A V H < S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.847 111.6 54.9 -73.0 -31.0 20.5 42.2 112.7 62 62 A E H < S+ 0 0 112 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.848 109.0 47.0 -68.3 -36.0 23.9 43.8 113.5 63 63 A E H < S+ 0 0 92 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.599 102.9 85.4 -80.8 -15.3 24.2 41.8 116.8 64 64 A A S < S- 0 0 8 -4,-0.7 -61,-0.2 -3,-0.3 3,-0.1 -0.451 70.9-141.1 -88.3 165.9 23.2 38.5 115.1 65 65 A E S S+ 0 0 103 -63,-2.5 2,-0.3 1,-0.3 -62,-0.2 0.608 87.2 7.0 -95.7 -16.8 25.2 35.9 113.2 66 66 A A E -b 3 0A 0 -64,-1.0 -62,-2.9 198,-0.2 2,-0.4 -0.983 64.1-134.2-162.6 157.2 22.4 35.4 110.7 67 67 A V E -bc 4 266A 0 198,-1.7 200,-1.9 -2,-0.3 2,-0.6 -0.974 6.7-160.4-122.0 130.9 19.0 36.7 109.5 68 68 A L E -bc 5 267A 3 -64,-2.6 -62,-2.9 -2,-0.4 2,-0.4 -0.970 20.6-162.8-109.8 113.2 16.0 34.5 108.7 69 69 A L E -b 6 0A 3 198,-3.1 3,-0.1 -2,-0.6 222,-0.1 -0.831 11.6-167.4-103.6 139.2 13.7 36.6 106.5 70 70 A G E - 0 0 1 -64,-2.6 2,-0.3 -2,-0.4 -62,-0.2 0.713 48.3 -60.8 -86.5-107.3 10.0 35.9 105.9 71 71 A S E -b 8 0A 6 -64,-1.6 -62,-2.6 -62,-0.3 2,-0.3 -0.985 43.9-153.2-145.6 151.0 8.3 37.9 103.1 72 72 A V + 0 0 24 -2,-0.3 201,-0.4 -64,-0.2 2,-0.1 -0.941 43.2 49.6-130.7 149.0 7.7 41.6 102.5 73 73 A G + 0 0 5 -2,-0.3 5,-0.1 199,-0.1 3,-0.1 -0.286 36.2 175.9 115.1 162.7 5.1 43.6 100.6 74 74 A G > - 0 0 17 -2,-0.1 3,-2.3 -65,-0.1 -1,-0.1 -0.748 47.3 -96.9 165.2 149.5 1.4 44.0 100.1 75 75 A P G > S+ 0 0 117 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.727 112.3 74.6 -54.5 -23.5 -1.2 46.2 98.3 76 76 A K G 3 S+ 0 0 141 1,-0.3 3,-0.2 2,-0.1 0, 0.0 0.756 103.2 38.0 -64.1 -22.1 -1.6 48.2 101.5 77 77 A W G < S+ 0 0 33 -3,-2.3 -1,-0.3 1,-0.1 -3,-0.1 -0.156 76.8 110.9-122.6 39.4 1.7 49.9 100.9 78 78 A G S < S+ 0 0 54 -3,-1.4 2,-0.3 5,-0.1 -1,-0.1 0.340 78.7 56.1 -91.1 9.0 1.7 50.3 97.1 79 79 A T S S+ 0 0 130 -3,-0.2 2,-0.1 3,-0.1 3,-0.0 -0.952 82.5 46.8-138.0 152.7 1.4 54.0 97.7 80 80 A G S S- 0 0 57 -2,-0.3 -3,-0.0 1,-0.1 3,-0.0 -0.334 85.9 -84.6 103.0 168.6 3.5 56.5 99.6 81 81 A S S S+ 0 0 100 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.947 110.6 72.9 -75.6 -53.1 7.2 57.2 99.8 82 82 A V - 0 0 56 -32,-0.1 -3,-0.1 3,-0.0 -1,-0.1 -0.513 68.5-179.0 -67.9 104.6 7.9 54.6 102.4 83 83 A R >> - 0 0 80 -2,-0.7 3,-1.3 1,-0.1 4,-0.6 -0.887 35.8-126.5-107.9 142.3 7.7 51.3 100.6 84 84 A P T >4 S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.818 107.5 62.7 -54.9 -30.6 8.2 47.9 102.4 85 85 A E T >> S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 3,-1.4 0.793 85.7 67.8 -69.2 -30.7 10.7 47.0 99.7 86 86 A Q H <> S+ 0 0 73 -3,-1.3 4,-3.0 1,-0.3 -1,-0.2 0.790 91.3 68.4 -60.4 -22.7 13.2 49.8 100.5 87 87 A G H S+ 0 0 41 -3,-1.4 4,-2.8 -4,-0.4 -1,-0.2 0.936 111.6 49.6 -64.7 -46.6 15.3 45.0 101.7 89 89 A L H X S+ 0 0 100 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.937 112.7 45.9 -58.3 -49.6 17.6 47.5 100.1 90 90 A S H X S+ 0 0 55 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.902 112.4 51.0 -61.7 -42.0 18.6 49.1 103.4 91 91 A L H X S+ 0 0 3 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.966 112.7 46.2 -59.1 -53.4 19.1 45.7 105.0 92 92 A R H <>S+ 0 0 90 -4,-2.8 5,-1.8 1,-0.2 3,-0.3 0.898 116.0 45.1 -56.6 -45.6 21.3 44.6 102.1 93 93 A K H ><5S+ 0 0 168 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.915 106.3 58.5 -68.4 -42.1 23.3 47.8 102.1 94 94 A S H 3<5S+ 0 0 50 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.770 115.4 36.8 -59.0 -28.4 23.8 48.0 105.9 95 95 A Q T 3<5S- 0 0 2 -4,-1.2 168,-3.0 -3,-0.3 167,-0.3 0.354 105.6-125.3-105.7 3.4 25.6 44.7 105.8 96 96 A D T < 5 - 0 0 69 -3,-1.4 166,-2.3 -4,-0.3 2,-0.7 0.961 36.6-176.5 49.3 58.5 27.4 45.1 102.5 97 97 A L E < +D 261 0A 3 -5,-1.8 164,-0.3 164,-0.3 -1,-0.2 -0.832 10.7 168.7 -87.5 115.4 26.0 41.9 101.1 98 98 A F E + 0 0 18 162,-1.1 34,-3.0 -2,-0.7 35,-0.6 0.509 52.3 61.6-108.8 -7.1 27.7 41.6 97.7 99 99 A A E -DE 260 131A 0 161,-2.4 161,-2.2 32,-0.2 2,-0.5 -0.975 60.0-157.6-126.7 136.5 26.8 38.0 96.6 100 100 A N E -DE 259 130A 13 30,-2.3 30,-2.8 -2,-0.4 2,-0.5 -0.949 7.8-159.4-114.0 125.5 23.4 36.5 95.9 101 101 A L E +DE 258 129A 2 157,-3.2 157,-1.9 -2,-0.5 28,-0.2 -0.930 12.4 176.6-106.6 124.0 23.0 32.7 96.1 102 102 A R E - E 0 128A 31 26,-2.5 26,-2.5 -2,-0.5 2,-0.2 -0.943 12.3-158.3-131.5 106.8 20.0 31.1 94.3 103 103 A P E - E 0 127A 19 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.586 6.6-167.8 -83.9 150.0 19.7 27.3 94.3 104 104 A A E + E 0 126A 1 22,-2.5 22,-2.5 -2,-0.2 2,-0.4 -0.980 18.8 167.3-136.9 116.2 17.7 25.4 91.7 105 105 A K E - E 0 125A 58 -2,-0.4 2,-0.8 20,-0.2 20,-0.2 -0.998 31.7-147.2-137.8 137.0 17.1 21.8 92.6 106 106 A V - 0 0 5 18,-2.6 17,-0.6 -2,-0.4 5,-0.1 -0.900 26.8-142.4-104.1 98.6 14.8 19.1 91.2 107 107 A F > - 0 0 13 -2,-0.8 3,-2.5 3,-0.1 4,-0.1 -0.393 31.8 -94.3 -60.9 133.3 13.9 16.9 94.2 108 108 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 210,-0.1 -0.216 113.6 24.6 -50.7 136.1 13.7 13.2 93.3 109 109 A G T 3 S+ 0 0 35 -3,-0.1 3,-0.3 209,-0.0 -2,-0.1 0.209 107.7 80.8 91.5 -16.6 10.1 12.2 92.5 110 110 A L X + 0 0 6 -3,-2.5 3,-1.8 1,-0.2 4,-0.4 0.148 50.7 110.7-107.4 19.0 9.2 15.8 91.6 111 111 A E G > + 0 0 24 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.762 65.8 74.5 -62.4 -23.5 10.7 15.7 88.0 112 112 A R G 3 S+ 0 0 130 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.662 89.6 56.4 -63.7 -20.5 7.1 15.9 86.8 113 113 A L G < S+ 0 0 52 -3,-1.8 -1,-0.3 136,-0.1 -2,-0.2 0.627 86.9 99.7 -87.3 -14.1 6.9 19.6 87.7 114 114 A S S < S- 0 0 14 -3,-1.3 134,-0.1 -4,-0.4 4,-0.1 -0.354 73.8-136.1 -73.6 149.8 9.8 20.5 85.6 115 115 A P S S+ 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.697 87.3 81.7 -75.1 -17.7 9.3 22.1 82.1 116 116 A L S S- 0 0 29 132,-0.4 -2,-0.1 1,-0.1 5,-0.1 -0.486 99.3 -89.0 -88.1 156.0 12.1 19.7 81.0 117 117 A K >> - 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0 0 17 1,-0.1 3,-0.3 38,-0.1 4,-0.2 -0.677 26.9-171.3 -78.6 115.2 3.8 26.2 101.7 285 285 A P > + 0 0 1 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.442 57.2 104.2 -88.1 3.1 6.7 26.5 104.2 286 286 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 78.9 48.9 -49.2 -52.7 9.2 24.6 102.0 287 287 A A H > S+ 0 0 0 -34,-0.7 4,-1.1 -3,-0.3 -1,-0.2 0.852 113.4 47.5 -59.5 -36.3 11.1 27.7 100.9 288 288 A A H > S+ 0 0 3 -3,-0.4 4,-1.6 -4,-0.2 -1,-0.2 0.872 112.2 48.4 -74.9 -36.7 11.4 29.0 104.4 289 289 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.927 111.9 50.3 -68.5 -39.3 12.6 25.7 105.8 290 290 A L H X S+ 0 0 10 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.754 106.3 55.5 -69.1 -24.8 15.1 25.5 102.9 291 291 A S H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.853 105.5 52.3 -72.3 -36.6 16.3 29.0 103.8 292 292 A A H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.848 108.5 50.5 -65.6 -36.6 16.9 27.7 107.3 293 293 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.935 108.2 52.2 -66.3 -43.4 19.0 24.9 105.8 294 294 A M H X S+ 0 0 8 -4,-2.0 4,-3.0 1,-0.2 5,-0.5 0.874 108.3 52.7 -60.0 -35.7 20.9 27.5 103.8 295 295 A M H X>S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-1.3 0.954 107.7 49.4 -63.1 -51.2 21.6 29.3 107.0 296 296 A L H <5S+ 0 0 1 -4,-2.2 6,-2.7 3,-0.2 4,-0.3 0.887 118.4 41.5 -54.0 -43.7 23.0 26.2 108.7 297 297 A E H X5S+ 0 0 5 -4,-2.3 4,-0.8 4,-0.2 6,-0.3 0.957 126.3 26.4 -71.7 -54.3 25.2 25.6 105.7 298 298 A H H <5S+ 0 0 27 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.806 128.4 37.0 -86.1 -32.1 26.5 29.1 104.8 299 299 A A T <5S+ 0 0 33 -4,-2.4 -3,-0.2 -5,-0.5 -1,-0.1 0.808 134.2 21.0 -90.7 -30.1 26.3 31.0 108.1 300 300 A F T 4 + 0 0 47 -6,-2.7 4,-1.9 1,-0.2 3,-0.4 -0.394 14.3 157.4 -84.8 60.6 26.9 22.9 109.5 303 303 A V H > + 0 0 26 -2,-1.7 4,-2.2 -6,-0.3 -1,-0.2 0.854 65.9 58.1 -53.1 -44.5 26.6 21.3 106.0 304 304 A E H > S+ 0 0 144 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.908 108.8 43.9 -55.8 -46.8 25.7 17.8 107.4 305 305 A L H > S+ 0 0 14 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.887 109.9 56.0 -68.1 -38.4 22.6 19.2 109.2 306 306 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.914 109.1 47.1 -58.9 -42.4 21.5 21.3 106.2 307 307 A R H X S+ 0 0 64 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.839 109.0 55.7 -67.2 -33.4 21.6 18.1 104.1 308 308 A K H X S+ 0 0 71 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.929 110.2 44.1 -64.7 -44.9 19.6 16.4 106.8 309 309 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.940 112.0 54.5 -65.2 -45.5 16.9 19.1 106.6 310 310 A E H X S+ 0 0 26 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.918 108.8 46.0 -54.9 -49.6 16.9 19.0 102.8 311 311 A D H X S+ 0 0 99 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.889 109.8 58.3 -61.8 -36.9 16.3 15.2 102.6 312 312 A A H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.939 110.2 39.6 -59.0 -50.4 13.6 15.7 105.2 313 313 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.836 110.6 60.4 -70.4 -30.6 11.6 18.1 103.1 314 314 A A H X S+ 0 0 12 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.977 110.9 40.5 -58.5 -52.2 12.3 16.1 99.9 315 315 A K H >X S+ 0 0 114 -4,-2.6 4,-3.0 1,-0.2 3,-0.7 0.928 113.0 55.1 -61.0 -46.0 10.6 13.1 101.5 316 316 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.3 -1,-0.2 0.874 102.6 57.4 -56.2 -39.1 7.8 15.4 103.0 317 317 A L H 3< S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.837 113.8 37.7 -62.1 -36.5 7.1 16.7 99.5 318 318 A L H << S+ 0 0 83 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.881 121.4 46.9 -80.6 -39.2 6.4 13.2 98.1 319 319 A E H < S+ 0 0 78 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.922 133.1 5.3 -69.2 -55.7 4.7 12.1 101.3 320 320 A T S < S- 0 0 43 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.566 80.7-159.9-133.4 71.6 2.3 15.0 102.1 321 321 A P - 0 0 30 0, 0.0 8,-1.8 0, 0.0 7,-0.5 -0.175 21.2-116.0 -55.2 137.8 2.5 17.5 99.2 322 322 A P > > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 5,-2.1 -0.250 32.8 -98.7 -67.7 166.0 1.3 21.0 100.0 323 323 A P G > 5S+ 0 0 50 0, 0.0 3,-2.7 0, 0.0 -40,-0.1 0.926 123.1 62.3 -54.1 -45.0 -1.8 22.4 98.2 324 324 A D G 3 5S+ 0 0 77 -42,-0.3 -71,-0.1 1,-0.3 4,-0.1 0.585 104.2 51.0 -60.8 -5.7 0.4 24.3 95.7 325 325 A L G < 5S- 0 0 13 -3,-2.2 -1,-0.3 2,-0.0 3,-0.1 0.009 130.8 -92.2-117.0 24.3 1.7 20.9 94.6 326 326 A G T < 5S+ 0 0 80 -3,-2.7 -2,-0.2 1,-0.2 2,-0.1 0.537 97.1 106.7 78.5 5.9 -1.7 19.3 94.1 327 327 A G < - 0 0 24 -5,-2.1 -1,-0.2 2,-0.1 -7,-0.0 -0.237 69.2-131.4-100.4-164.8 -1.9 18.0 97.7 328 328 A S + 0 0 115 -7,-0.5 2,-0.2 -2,-0.1 -46,-0.1 0.246 54.4 132.4-134.6 10.5 -3.9 19.1 100.7 329 329 A A - 0 0 12 -8,-1.8 2,-0.1 4,-0.1 -2,-0.1 -0.485 45.9-144.5 -69.2 129.6 -1.3 19.3 103.5 330 330 A G > - 0 0 23 -2,-0.2 4,-3.0 -8,-0.1 5,-0.3 -0.428 33.0 -88.8 -86.4 173.3 -1.6 22.5 105.4 331 331 A T H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.896 128.6 40.3 -47.8 -54.0 1.4 24.5 106.8 332 332 A E H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 114.6 53.9 -65.3 -41.0 1.4 22.6 110.2 333 333 A A H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.946 110.7 45.1 -57.9 -52.3 0.7 19.3 108.5 334 334 A F H X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.912 113.4 50.4 -58.5 -46.0 3.6 19.6 106.1 335 335 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.889 104.3 59.6 -61.9 -39.1 6.0 20.7 108.9 336 336 A A H X S+ 0 0 48 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.935 107.5 44.1 -56.8 -48.8 4.9 17.8 111.1 337 337 A T H X S+ 0 0 10 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.837 109.7 56.3 -68.2 -30.5 6.1 15.3 108.6 338 338 A V H X S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 3,-0.4 0.968 109.4 47.5 -62.1 -47.5 9.3 17.2 108.0 339 339 A L H >X S+ 0 0 50 -4,-2.7 3,-1.1 1,-0.2 4,-0.6 0.864 106.7 57.3 -60.4 -37.2 10.0 16.9 111.7 340 340 A R H >< S+ 0 0 148 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.883 107.8 46.6 -65.5 -33.8 9.1 13.2 111.7 341 341 A H H 3< S+ 0 0 40 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.519 103.6 64.8 -84.4 -3.4 11.8 12.6 109.1 342 342 A L H << 0 0 12 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.568 360.0 360.0 -92.0 -12.8 14.3 14.7 111.0 343 343 A A << 0 0 142 -3,-0.7 -317,-0.0 -4,-0.6 -3,-0.0 -0.305 360.0 360.0 -75.5 360.0 14.3 12.2 114.0