==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-11 2Y3Z . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.GRACZER,A.MERLIN,R.K.SINGH,K.MANIKANDAN,P.ZAVODSKY,M.S.WEI . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.3 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 . 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 1 1 1 1 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 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 0 A S 0 0 118 0, 0.0 34,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 127.9 11.1 37.1 39.9 2 1 A M E -a 35 0A 5 32,-1.6 34,-2.6 2,-0.0 2,-0.6 -0.685 360.0-174.6-146.6 87.2 13.7 36.7 37.2 3 2 A K E -a 36 0A 92 32,-0.2 63,-2.6 -2,-0.2 64,-1.2 -0.804 7.6-176.3 -92.4 118.6 15.2 33.1 37.6 4 3 A V E -ab 37 67A 3 32,-2.9 34,-1.6 -2,-0.6 2,-0.6 -0.940 21.2-151.7-121.1 130.6 18.0 32.5 35.2 5 4 A A E -ab 38 68A 0 62,-2.6 64,-2.7 -2,-0.4 2,-0.6 -0.902 19.9-153.8 -93.9 124.4 20.1 29.3 34.6 6 5 A V E -ab 39 69A 1 32,-3.3 34,-2.8 -2,-0.6 64,-0.2 -0.907 16.3-178.9-107.6 122.3 23.5 30.4 33.4 7 6 A L E - b 0 70A 0 62,-2.9 64,-3.0 -2,-0.6 32,-0.1 -0.866 2.2-177.4-118.8 85.5 25.3 27.8 31.2 8 7 A P - 0 0 22 0, 0.0 64,-0.4 0, 0.0 9,-0.2 0.787 18.2-177.0 -69.6 -25.6 28.5 29.5 30.5 9 8 A G - 0 0 7 31,-0.4 64,-0.2 62,-0.2 2,-0.2 -0.372 29.8 -28.4 77.2-140.3 29.9 26.7 28.2 10 9 A D S > S+ 0 0 7 62,-2.4 3,-2.4 3,-0.1 62,-0.3 -0.614 96.1 0.9-122.1 168.1 33.3 26.6 26.6 11 10 A G T 3 S- 0 0 27 1,-0.3 4,-0.3 -2,-0.2 266,-0.2 -0.339 133.1 -4.8 59.2-131.1 36.1 28.8 25.3 12 11 A I T 3> S+ 0 0 7 264,-2.6 4,-2.7 1,-0.2 5,-0.3 0.463 109.5 102.1 -71.3 -2.4 35.2 32.5 25.7 13 12 A G H <> S+ 0 0 0 -3,-2.4 4,-2.7 1,-0.2 5,-0.3 0.911 79.2 47.9 -49.9 -55.0 31.7 31.5 27.0 14 13 A P H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.927 114.9 47.3 -56.6 -44.5 32.6 32.1 30.8 15 14 A E H > S+ 0 0 47 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.940 117.1 39.4 -61.2 -52.5 34.1 35.5 30.0 16 15 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.870 114.8 52.5 -74.7 -27.2 31.3 36.8 27.8 17 16 A T H X S+ 0 0 4 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.898 108.7 51.5 -72.0 -35.0 28.5 35.4 29.9 18 17 A E H X S+ 0 0 71 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.895 106.4 54.4 -66.5 -36.1 30.0 37.0 32.9 19 18 A A H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.937 109.5 48.2 -59.6 -43.2 30.0 40.4 31.0 20 19 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.888 109.7 52.4 -63.9 -40.7 26.3 39.9 30.3 21 20 A L H X S+ 0 0 1 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.886 103.6 56.4 -63.1 -37.9 25.7 39.1 34.0 22 21 A K H X S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.941 110.0 46.7 -60.5 -41.9 27.5 42.3 35.1 23 22 A V H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.936 113.4 47.1 -61.0 -47.8 25.0 44.2 32.9 24 23 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.875 111.8 51.2 -66.5 -35.7 22.0 42.2 34.3 25 24 A R H X S+ 0 0 76 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.878 108.1 52.2 -68.1 -37.5 23.2 42.7 37.9 26 25 A A H X S+ 0 0 36 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.936 113.3 44.7 -62.1 -44.9 23.5 46.5 37.3 27 26 A L H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.890 111.7 52.2 -63.7 -41.9 19.9 46.5 36.0 28 27 A D H X>S+ 0 0 42 -4,-2.6 4,-2.4 1,-0.2 5,-0.7 0.922 112.7 45.6 -60.7 -43.4 18.7 44.4 38.9 29 28 A E H <5S+ 0 0 169 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.886 118.4 41.6 -68.7 -39.6 20.3 46.7 41.4 30 29 A A H <5S+ 0 0 73 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.821 128.9 28.1 -75.4 -32.5 18.9 49.9 39.6 31 30 A E H <5S- 0 0 91 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.565 98.2-120.8-112.3 -14.8 15.4 48.5 38.9 32 31 A G T <5 + 0 0 66 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.980 47.5 164.2 69.0 55.8 14.7 45.9 41.6 33 32 A L < - 0 0 27 -5,-0.7 -5,-0.1 -6,-0.1 -4,-0.1 0.595 46.7-125.2 -82.3 -14.7 14.2 43.1 39.2 34 33 A G - 0 0 43 -6,-0.3 -32,-1.6 1,-0.2 2,-0.1 0.842 40.6-175.5 71.0 30.0 14.4 40.2 41.6 35 34 A L E +a 2 0A 26 -34,-0.2 2,-0.4 -11,-0.1 -32,-0.2 -0.406 9.3 173.2 -57.6 129.2 17.2 38.5 39.5 36 35 A A E +a 3 0A 53 -34,-2.6 -32,-2.9 -2,-0.1 2,-0.3 -0.992 7.0 172.7-135.4 133.5 18.3 35.1 40.9 37 36 A Y E -a 4 0A 85 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.976 18.1-166.3-141.8 158.1 20.7 33.0 38.9 38 37 A E E -a 5 0A 122 -34,-1.6 -32,-3.3 -2,-0.3 2,-0.5 -0.988 22.3-128.0-140.8 144.4 22.7 29.8 39.2 39 38 A V E -a 6 0A 82 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.824 27.2-172.0 -97.1 132.2 25.6 28.5 37.1 40 39 A F - 0 0 25 -34,-2.8 -31,-0.4 -2,-0.5 2,-0.2 -0.926 27.9-105.4-124.6 149.3 25.3 25.0 35.7 41 40 A P + 0 0 45 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.495 49.2 159.2 -76.0 133.5 27.8 22.8 33.8 42 41 A F > + 0 0 2 -2,-0.2 3,-0.7 12,-0.1 4,-0.2 -0.992 37.7 0.4-152.1 148.2 27.2 22.5 30.1 43 42 A G T >> S- 0 0 0 10,-2.2 4,-2.0 -2,-0.3 3,-0.6 -0.388 119.1 -9.2 83.6-148.1 29.0 21.5 26.8 44 43 A G H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 135.1 55.4 -54.9 -40.6 32.7 20.6 26.7 45 44 A A H <> S+ 0 0 47 -3,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.879 108.9 48.3 -61.8 -37.3 33.2 21.5 30.3 46 45 A A H <>>S+ 0 0 0 -3,-0.6 4,-3.4 -4,-0.2 5,-0.7 0.886 109.1 52.2 -68.4 -40.4 30.4 19.2 31.4 47 46 A I H X5S+ 0 0 14 -4,-2.0 4,-1.6 4,-0.3 -2,-0.2 0.931 112.1 47.2 -57.4 -45.1 31.8 16.3 29.3 48 47 A D H <5S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.867 121.5 35.7 -68.3 -33.0 35.2 16.8 30.9 49 48 A A H <5S+ 0 0 68 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.848 138.0 12.0 -87.9 -36.7 33.6 17.0 34.5 50 49 A F H <5S- 0 0 125 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.469 97.3-108.9-125.6 -13.1 30.8 14.4 34.2 51 50 A G S <> - 0 0 5 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.166 37.4 -99.4 -73.4 164.5 24.0 16.3 32.8 56 55 A E H 3> S+ 0 0 104 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.858 119.7 54.5 -49.8 -50.5 20.9 15.7 35.1 57 56 A P H 3> S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.865 111.8 45.8 -50.9 -42.8 21.6 18.6 37.4 58 57 A T H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.864 109.8 52.3 -71.3 -40.1 21.7 21.0 34.5 59 58 A R H X S+ 0 0 86 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.947 113.0 47.3 -60.9 -43.1 18.6 19.6 32.9 60 59 A K H X S+ 0 0 113 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.937 112.1 48.2 -61.6 -50.6 16.8 20.2 36.2 61 60 A G H X S+ 0 0 7 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.880 112.0 49.5 -60.0 -35.7 18.2 23.7 36.6 62 61 A V H < S+ 0 0 0 -4,-2.4 3,-0.5 2,-0.2 -2,-0.2 0.949 111.7 49.2 -68.8 -46.7 17.1 24.6 33.0 63 62 A E H < S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.887 113.4 47.4 -55.9 -44.2 13.6 23.2 33.7 64 63 A E H < S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.698 100.8 80.1 -76.5 -22.1 13.3 25.2 37.0 65 64 A A S < S- 0 0 9 -4,-1.3 -61,-0.2 -3,-0.5 3,-0.1 -0.330 74.0-134.7 -83.4 167.2 14.5 28.5 35.6 66 65 A E S S+ 0 0 82 -63,-2.6 2,-0.3 1,-0.3 -62,-0.2 0.667 87.4 5.8 -95.8 -16.9 12.5 31.1 33.6 67 66 A A E -b 4 0A 0 -64,-1.2 -62,-2.6 200,-0.2 2,-0.5 -0.981 66.2-130.7-157.9 158.9 15.3 31.7 31.0 68 67 A V E -bc 5 269A 0 200,-2.5 202,-2.9 -2,-0.3 2,-0.7 -0.959 6.8-160.4-110.7 129.7 18.7 30.3 30.1 69 68 A L E -bc 6 270A 1 -64,-2.7 -62,-2.9 -2,-0.5 2,-0.4 -0.942 23.9-173.0-105.3 108.3 21.7 32.5 29.5 70 69 A L E -b 7 0A 1 200,-2.8 3,-0.1 -2,-0.7 -64,-0.1 -0.887 11.3-155.9-111.2 136.7 24.0 30.2 27.4 71 70 A G - 0 0 2 -64,-3.0 -62,-0.2 -2,-0.4 2,-0.1 -0.047 46.6 -59.5 -89.4-159.4 27.5 31.0 26.4 72 71 A S - 0 0 4 -64,-0.4 -62,-2.4 -62,-0.3 2,-0.4 -0.498 56.7-155.0 -76.8 156.0 29.4 29.5 23.4 73 72 A V + 0 0 21 -64,-0.2 203,-0.3 -2,-0.1 2,-0.1 -0.989 38.6 15.6-136.5 143.4 29.8 25.7 23.3 74 73 A G + 0 0 2 -2,-0.4 3,-0.1 201,-0.1 202,-0.0 -0.338 46.8 174.0 98.8-176.2 32.1 23.2 21.7 75 74 A G > - 0 0 15 1,-0.1 3,-1.0 -2,-0.1 4,-0.3 -0.885 50.5 -60.5 152.7 175.7 35.5 23.2 20.1 76 75 A P G > S+ 0 0 89 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.835 117.5 67.8 -57.0 -43.6 38.4 21.2 18.6 77 76 A K G 3 S+ 0 0 137 1,-0.2 3,-0.3 2,-0.1 -3,-0.0 0.803 107.5 35.2 -51.1 -38.3 39.0 19.3 21.8 78 77 A W G X S+ 0 0 31 -3,-1.0 3,-1.7 1,-0.2 -1,-0.2 0.382 86.2 102.4-101.3 3.4 35.7 17.3 21.7 79 78 A D T < S+ 0 0 109 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.780 77.0 57.4 -63.4 -27.5 35.4 16.9 17.9 80 79 A G T 3 S+ 0 0 82 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.162 85.6 111.5 -87.3 19.8 36.6 13.2 18.1 81 80 A L S < S- 0 0 59 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.567 79.4 -90.0 -94.0 155.5 33.8 12.1 20.5 82 81 A P > - 0 0 88 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.318 40.0-117.6 -56.6 143.9 30.9 9.7 19.8 83 82 A R G > S+ 0 0 174 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.827 109.3 71.1 -50.5 -35.1 27.9 11.7 18.6 84 83 A K G 3 S+ 0 0 177 1,-0.3 -1,-0.3 5,-0.1 -3,-0.0 0.784 112.1 26.0 -57.2 -35.2 25.9 10.6 21.6 85 84 A I G < S+ 0 0 38 -3,-1.6 -1,-0.3 -33,-0.1 -2,-0.2 0.185 89.7 128.2-117.2 17.6 28.0 12.8 23.9 86 85 A R <> - 0 0 66 -3,-1.2 4,-2.3 -4,-0.4 5,-0.1 -0.335 68.7-116.8 -69.7 156.8 29.2 15.6 21.7 87 86 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.859 116.9 54.6 -57.8 -36.6 28.8 19.3 22.6 88 87 A E H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.895 105.8 51.0 -68.6 -38.7 26.5 19.8 19.6 89 88 A T H > S+ 0 0 27 -6,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.891 105.9 57.6 -61.6 -39.7 24.3 16.9 20.7 90 89 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.903 106.5 48.7 -52.8 -41.6 24.1 18.6 24.1 91 90 A L H X S+ 0 0 25 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.905 111.8 47.3 -69.9 -42.7 22.7 21.7 22.4 92 91 A L H X S+ 0 0 92 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.904 113.0 50.0 -62.4 -43.2 20.1 19.7 20.4 93 92 A S H X S+ 0 0 53 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.908 110.6 50.4 -61.5 -43.5 19.2 17.9 23.7 94 93 A L H X S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.953 115.1 41.9 -55.4 -54.7 18.9 21.3 25.4 95 94 A R H <>S+ 0 0 57 -4,-2.5 5,-1.8 1,-0.2 3,-0.4 0.919 117.7 46.5 -65.2 -40.7 16.6 22.8 22.7 96 95 A K H ><5S+ 0 0 172 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.888 105.5 59.5 -67.4 -39.2 14.5 19.6 22.3 97 96 A S H 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.825 115.0 36.7 -58.4 -32.4 14.1 19.2 26.1 98 97 A Q T 3<5S- 0 0 3 -4,-1.2 168,-3.0 -3,-0.4 -1,-0.3 0.251 106.5-127.6 -97.8 4.6 12.4 22.6 26.1 99 98 A D T < 5 - 0 0 32 -3,-1.6 166,-1.8 166,-0.2 2,-0.7 0.913 34.3-172.9 35.9 59.4 10.6 22.1 22.7 100 99 A L E < +D 264 0A 3 -5,-1.8 164,-0.3 164,-0.3 -1,-0.2 -0.744 13.3 169.6 -77.6 113.8 12.0 25.4 21.4 101 100 A F E + 0 0 22 162,-1.3 34,-2.6 -2,-0.7 35,-0.5 0.468 55.0 59.0-111.1 -4.0 10.2 25.9 18.0 102 101 A A E -DE 263 134A 0 161,-2.2 161,-3.0 32,-0.2 2,-0.5 -0.984 59.1-163.7-129.1 126.5 11.1 29.5 17.1 103 102 A N E -DE 262 133A 11 30,-3.1 30,-2.9 -2,-0.4 2,-0.6 -0.916 10.0-162.1-104.5 129.6 14.6 30.9 16.6 104 103 A L E +DE 261 132A 0 157,-3.5 157,-2.2 -2,-0.5 28,-0.2 -0.939 12.2 174.7-115.5 118.9 14.9 34.7 16.6 105 104 A R E - E 0 131A 36 26,-2.6 26,-2.3 -2,-0.6 2,-0.3 -0.906 12.2-160.7-126.4 110.5 18.0 36.3 15.2 106 105 A P E - E 0 130A 21 0, 0.0 2,-0.5 0, 0.0 24,-0.3 -0.616 3.0-161.2 -88.6 141.3 18.1 40.0 14.9 107 106 A A E + E 0 129A 1 22,-3.2 22,-2.4 -2,-0.3 2,-0.4 -0.982 17.7 177.5-118.9 119.3 20.6 41.8 12.6 108 107 A K E - E 0 128A 59 -2,-0.5 2,-0.9 20,-0.2 20,-0.2 -0.979 27.3-152.2-127.1 131.8 21.1 45.4 13.5 109 108 A V - 0 0 4 18,-2.7 17,-0.5 -2,-0.4 5,-0.1 -0.904 30.6-142.1 -94.2 100.3 23.4 48.1 11.9 110 109 A F > - 0 0 5 -2,-0.9 3,-2.6 3,-0.1 4,-0.1 -0.353 32.0 -86.7 -63.6 146.9 24.1 50.3 14.9 111 110 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 210,-0.0 -0.311 117.6 19.1 -57.3 135.0 24.2 54.0 14.2 112 111 A G T 3 S+ 0 0 40 -3,-0.1 3,-0.3 209,-0.0 -2,-0.1 0.318 105.1 88.6 86.3 -3.1 27.8 55.0 13.1 113 112 A L X> + 0 0 3 -3,-2.6 3,-1.6 1,-0.2 4,-0.5 0.172 46.9 109.0-108.1 14.1 28.7 51.4 12.3 114 113 A E G >4 + 0 0 16 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.838 68.2 71.0 -55.7 -33.8 27.5 51.5 8.7 115 114 A R G 34 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.795 93.0 56.3 -51.0 -34.8 31.3 51.4 7.8 116 115 A L G <4 S+ 0 0 37 -3,-1.6 -1,-0.3 136,-0.1 -2,-0.2 0.726 88.3 96.2 -71.5 -27.1 31.4 47.7 9.0 117 116 A S S << S- 0 0 13 -3,-1.3 134,-0.1 -4,-0.5 7,-0.1 -0.338 73.6-137.7 -66.1 147.7 28.6 46.6 6.6 118 117 A P S S+ 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.660 87.8 84.1 -70.5 -16.4 29.3 45.0 3.2 119 118 A L S S- 0 0 25 132,-0.4 -2,-0.1 1,-0.1 5,-0.1 -0.597 99.5 -89.6 -86.1 150.4 26.5 47.2 2.0 120 119 A K >> - 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