==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-OCT-11 3UDO . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR K.L.TKACZUK,M.CHRUSZCZ,B.J.BLUS,O.ONOPRIYENKO,S.GRIMSHAW,A.S . 355 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.9 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 . 1 0.3 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 0 1 1 0 1 0 1 0 2 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 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 X 0 0 164 0, 0.0 34,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 101.9 -13.2 41.7 55.0 2 2 A K - 0 0 155 32,-0.3 34,-2.1 1,-0.1 2,-0.5 -0.324 360.0-154.8 -60.4 129.5 -12.5 38.3 56.7 3 3 A T E -a 36 0A 69 32,-0.2 2,-0.6 -2,-0.1 34,-0.2 -0.922 1.9-153.9-109.0 123.5 -13.3 38.2 60.5 4 4 A Y E -a 37 0A 30 32,-2.8 34,-2.7 -2,-0.5 2,-0.6 -0.882 11.2-143.7 -98.3 122.3 -11.6 35.8 62.9 5 5 A K E -a 38 0A 80 -2,-0.6 63,-3.3 32,-0.2 64,-0.9 -0.778 21.2-175.2 -83.4 118.6 -13.5 34.8 66.1 6 6 A V E -ab 39 69A 0 32,-2.9 34,-3.0 -2,-0.6 2,-0.8 -0.945 21.4-145.1-115.7 131.4 -11.2 34.4 69.2 7 7 A A E -ab 40 70A 0 62,-2.3 64,-2.7 -2,-0.4 2,-0.7 -0.879 19.6-156.6 -92.1 113.1 -12.3 33.2 72.6 8 8 A V E +ab 41 71A 0 32,-2.5 34,-2.4 -2,-0.8 2,-0.6 -0.859 18.0 174.2 -97.3 110.6 -10.1 35.2 75.0 9 9 A L E +ab 42 72A 0 62,-2.4 64,-3.1 -2,-0.7 34,-0.1 -0.844 2.2 172.2-119.0 85.4 -9.7 33.4 78.4 10 10 A A E - 0 0 10 -2,-0.6 64,-1.6 32,-0.5 2,-0.2 0.790 20.3-177.2 -72.1 -31.3 -7.2 35.5 80.2 11 11 A G E - b 0 74A 9 31,-0.4 64,-0.2 62,-0.2 -1,-0.2 -0.478 30.8 -20.1 75.0-130.5 -7.7 33.6 83.5 12 12 A D S > S- 0 0 9 62,-2.8 3,-2.9 -2,-0.2 62,-0.2 -0.601 97.3 -2.1-117.8 169.1 -6.0 34.5 86.8 13 13 A G T 3 S- 0 0 29 1,-0.3 4,-0.4 -2,-0.2 268,-0.1 -0.287 132.7 -1.3 56.6-124.2 -3.0 36.4 88.2 14 14 A I T 3> S+ 0 0 22 266,-1.5 4,-2.6 1,-0.2 5,-0.4 0.555 112.5 96.0 -71.5 -9.4 -0.9 37.9 85.5 15 15 A G H <> S+ 0 0 0 -3,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.940 86.5 39.6 -47.5 -62.0 -3.2 36.4 82.9 16 16 A P H > S+ 0 0 62 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.797 115.2 56.3 -66.6 -24.6 -5.4 39.4 82.3 17 17 A L H > S+ 0 0 40 -4,-0.4 4,-0.8 2,-0.2 3,-0.2 0.940 111.9 37.3 -67.1 -53.3 -2.3 41.7 82.5 18 18 A V H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 3,-0.5 0.847 111.3 62.0 -72.1 -32.6 -0.3 40.0 79.8 19 19 A X H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.4 5,-0.3 0.835 93.6 63.5 -56.7 -38.8 -3.4 39.4 77.6 20 20 A K H X S+ 0 0 145 -4,-1.1 4,-1.7 -3,-0.2 -1,-0.2 0.909 105.7 45.2 -58.4 -41.6 -4.0 43.1 77.4 21 21 A E H X S+ 0 0 5 -4,-0.8 4,-3.0 -3,-0.5 -1,-0.2 0.950 110.2 53.0 -66.0 -45.5 -0.7 43.5 75.5 22 22 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.3 -2,-0.2 0.914 110.8 47.7 -59.3 -45.7 -1.4 40.5 73.2 23 23 A L H X S+ 0 0 21 -4,-2.9 4,-2.4 2,-0.2 -1,-0.3 0.869 109.2 53.6 -62.1 -35.6 -4.8 42.1 72.3 24 24 A K H X S+ 0 0 60 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.971 113.1 44.0 -61.8 -49.2 -3.1 45.4 71.7 25 25 A I H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 5,-0.3 0.945 114.7 48.9 -62.0 -44.7 -0.7 43.7 69.3 26 26 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.844 108.0 53.3 -62.7 -37.8 -3.4 41.6 67.6 27 27 A T H X S+ 0 0 80 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.924 111.7 46.8 -67.1 -40.2 -5.7 44.6 67.0 28 28 A F H X S+ 0 0 38 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.955 113.6 43.6 -63.0 -56.1 -2.9 46.5 65.3 29 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.844 110.1 59.1 -70.1 -29.9 -1.7 43.7 63.0 30 30 A A H <>S+ 0 0 4 -4,-2.1 5,-2.5 -5,-0.3 -1,-0.2 0.966 110.4 42.0 -47.3 -53.9 -5.3 42.8 62.2 31 31 A Q H ><5S+ 0 0 127 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.896 109.9 57.2 -71.9 -39.2 -5.8 46.3 60.9 32 32 A K H 3<5S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.877 113.7 38.4 -59.9 -39.8 -2.5 46.5 59.1 33 33 A Y T 3<5S- 0 0 75 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.223 117.0-113.0 -98.7 16.6 -3.3 43.4 57.0 34 34 A N T < 5S+ 0 0 121 -3,-1.3 2,-0.3 1,-0.2 -32,-0.3 0.887 77.3 113.3 57.3 45.1 -6.9 44.4 56.6 35 35 A F < - 0 0 8 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.859 53.3-136.2-126.9 174.0 -8.6 41.6 58.5 36 36 A S E -a 3 0A 38 -34,-2.1 -32,-2.8 -2,-0.3 2,-0.4 -0.942 4.0-144.7-131.5 150.8 -10.6 41.9 61.7 37 37 A F E -a 4 0A 31 -2,-0.3 2,-0.7 -34,-0.2 -32,-0.2 -0.898 7.4-152.1-108.2 145.9 -10.9 40.1 65.0 38 38 A E E -a 5 0A 84 -34,-2.7 -32,-2.9 -2,-0.4 2,-0.8 -0.966 22.5-164.7-109.2 103.1 -13.8 39.5 67.1 39 39 A L E -a 6 0A 44 -2,-0.7 2,-0.7 -34,-0.2 -32,-0.2 -0.842 5.0-168.2 -93.7 104.3 -12.1 39.2 70.4 40 40 A N E -a 7 0A 42 -34,-3.0 -32,-2.5 -2,-0.8 2,-0.3 -0.883 7.0-150.3-109.1 111.3 -14.6 37.7 72.8 41 41 A E E +a 8 0A 132 -2,-0.7 2,-0.3 -34,-0.2 -32,-0.2 -0.563 22.2 165.1 -84.1 130.9 -13.7 37.7 76.5 42 42 A A E -a 9 0A 27 -34,-2.4 -32,-0.5 -2,-0.3 -31,-0.4 -0.975 37.0-104.9-138.7 158.5 -14.9 35.1 78.9 43 43 A K + 0 0 101 -2,-0.3 14,-0.4 -34,-0.1 2,-0.3 -0.597 38.5 170.8 -78.7 140.1 -13.9 34.0 82.4 44 44 A I > - 0 0 0 -2,-0.3 3,-0.8 12,-0.1 4,-0.4 -0.976 49.0 -4.6-141.4 152.0 -11.9 30.7 82.9 45 45 A G T 3> S+ 0 0 0 10,-2.3 4,-2.7 -2,-0.3 3,-0.4 -0.383 126.9 1.8 74.7-141.5 -10.3 29.3 86.1 46 46 A G H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.886 134.6 52.2 -47.0 -50.6 -10.2 31.2 89.4 47 47 A A H <> S+ 0 0 25 -3,-0.8 4,-1.2 1,-0.2 -1,-0.3 0.879 112.0 47.2 -57.6 -38.3 -12.2 34.1 87.9 48 48 A S H >>S+ 0 0 0 -3,-0.4 4,-3.7 -4,-0.4 5,-0.8 0.903 109.0 52.5 -75.1 -40.0 -14.8 31.6 86.7 49 49 A I H X5S+ 0 0 25 -4,-2.7 4,-1.5 4,-0.2 -2,-0.2 0.924 109.8 50.1 -56.1 -46.6 -15.0 29.8 90.0 50 50 A D H <5S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.791 121.7 34.3 -63.2 -29.6 -15.6 33.2 91.8 51 51 A A H <5S+ 0 0 50 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.848 137.9 11.0 -94.3 -41.8 -18.3 34.1 89.4 52 52 A Y H <5S- 0 0 129 -4,-3.7 -3,-0.2 2,-0.3 -2,-0.2 0.455 93.6-113.2-121.1 -11.1 -20.1 30.8 88.5 53 53 A G S < - 0 0 12 -2,-0.4 4,-2.7 -14,-0.4 5,-0.2 -0.502 30.5-117.8 -87.9 160.3 -18.8 27.1 82.6 58 58 A D H > S+ 0 0 140 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.866 117.2 55.5 -54.2 -38.9 -21.2 26.0 79.9 59 59 A E H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 111.8 43.3 -67.9 -39.0 -21.4 29.7 78.6 60 60 A T H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 112.9 51.5 -69.7 -37.8 -17.6 29.7 78.2 61 61 A L H X S+ 0 0 34 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.948 110.4 49.2 -66.3 -40.9 -17.5 26.3 76.7 62 62 A K H X S+ 0 0 37 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.925 108.2 53.9 -64.2 -41.6 -20.2 27.4 74.2 63 63 A L H < S+ 0 0 33 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.961 108.3 50.0 -57.5 -48.4 -18.2 30.5 73.3 64 64 A C H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.906 108.5 51.7 -54.5 -43.1 -15.2 28.4 72.6 65 65 A E H 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.2 51.8 -66.8 -30.1 -17.3 26.1 70.3 66 66 A Q T 3< S+ 0 0 136 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.339 103.7 77.3 -81.3 4.5 -18.5 29.2 68.4 67 67 A S S < S- 0 0 10 -3,-1.7 -61,-0.2 -4,-0.2 3,-0.1 -0.573 74.2-133.6-112.4 172.3 -14.9 30.5 67.9 68 68 A D S S+ 0 0 67 -63,-3.3 204,-0.4 1,-0.3 2,-0.3 0.525 88.4 0.0 -95.7 -16.3 -12.0 29.6 65.6 69 69 A A E -b 6 0A 0 -64,-0.9 -62,-2.3 202,-0.2 2,-0.5 -0.968 64.9-123.9-163.0 160.7 -9.3 29.6 68.3 70 70 A I E -bc 7 273A 0 202,-2.9 204,-2.7 -2,-0.3 2,-0.7 -0.982 15.6-159.8-112.9 120.7 -8.9 30.0 72.1 71 71 A L E -bc 8 274A 0 -64,-2.7 -62,-2.4 -2,-0.5 2,-0.3 -0.940 24.8-168.1-100.7 116.9 -6.3 32.6 73.2 72 72 A F E -b 9 0A 1 202,-3.5 -62,-0.2 -2,-0.7 3,-0.1 -0.838 19.6-170.7-120.2 136.5 -5.6 31.5 76.7 73 73 A G E - 0 0 0 -64,-3.1 2,-0.3 -2,-0.3 -62,-0.2 0.641 46.8 -62.1 -90.8-112.0 -3.8 33.2 79.6 74 74 A S E -b 11 0A 7 -64,-1.6 -62,-2.8 -62,-0.2 2,-0.4 -0.973 41.9-155.0-142.3 149.1 -2.9 31.4 82.9 75 75 A V + 0 0 9 -2,-0.3 205,-0.4 -64,-0.2 -30,-0.1 -0.969 43.2 52.6-133.5 146.2 -5.1 29.8 85.6 76 76 A G + 0 0 15 -2,-0.4 3,-0.1 203,-0.1 -2,-0.0 -0.223 36.4 170.3 116.4 159.9 -4.6 29.2 89.2 77 77 A G > - 0 0 12 -2,-0.1 3,-1.5 1,-0.1 4,-0.3 -0.919 50.3 -87.1 169.0 163.4 -3.6 30.8 92.5 78 78 A P G > S+ 0 0 86 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.815 113.5 70.4 -64.5 -25.7 -3.5 30.2 96.2 79 79 A K G 3 S+ 0 0 138 1,-0.3 3,-0.3 2,-0.1 0, 0.0 0.819 105.7 39.8 -56.6 -32.2 -7.1 31.4 96.8 80 80 A W G X S+ 0 0 32 -3,-1.5 3,-1.2 1,-0.2 -1,-0.3 0.335 85.1 98.6-105.2 7.9 -8.4 28.3 95.1 81 81 A D T < S+ 0 0 82 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.451 72.8 65.5 -79.7 -1.8 -6.0 25.7 96.5 82 82 A N T 3 S+ 0 0 159 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.451 79.2 104.1 -94.2 3.3 -8.4 24.5 99.2 83 83 A L S < S- 0 0 48 -3,-1.2 5,-0.1 1,-0.1 -3,-0.0 -0.419 92.9 -84.0 -71.4 154.6 -10.8 23.1 96.7 84 84 A P > - 0 0 73 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.314 50.7-104.9 -54.1 150.8 -10.9 19.4 96.1 85 85 A I G > S+ 0 0 106 1,-0.3 3,-1.4 2,-0.2 6,-0.2 0.831 116.6 54.4 -53.9 -43.1 -8.1 18.5 93.7 86 86 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 5,-0.1 -3,-0.0 0.576 107.2 52.1 -75.2 -6.9 -10.4 17.9 90.6 87 87 A Q G < S+ 0 0 107 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.475 78.6 119.8-105.5 -0.0 -12.0 21.2 90.9 88 88 A R S <> S- 0 0 76 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 -0.274 75.8-109.4 -71.5 151.3 -8.9 23.4 91.0 89 89 A P H > S+ 0 0 1 0, 0.0 4,-1.1 0, 0.0 5,-0.3 0.797 112.7 45.4 -49.9 -46.8 -8.5 25.9 88.3 90 90 A E H >>>S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.984 118.6 41.6 -65.4 -60.9 -5.7 24.3 86.3 91 91 A R H 3>5S+ 0 0 124 1,-0.2 4,-0.5 -6,-0.2 -1,-0.2 0.836 118.6 45.4 -52.7 -37.8 -7.1 20.8 86.4 92 92 A A H 3<5S+ 0 0 21 -4,-2.6 -1,-0.2 3,-0.1 -2,-0.2 0.582 116.7 42.5 -97.4 -7.1 -10.7 21.8 85.7 93 93 A S H S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.882 111.2 52.5 -72.6 -29.5 -11.6 19.4 79.6 97 97 A L H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 6,-0.2 0.940 112.0 47.9 -67.4 -40.2 -10.9 22.0 76.9 98 98 A R H <>S+ 0 0 36 -4,-2.7 5,-2.1 2,-0.2 4,-0.3 0.931 114.7 43.6 -62.2 -44.5 -8.4 19.6 75.4 99 99 A K H ><5S+ 0 0 179 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.960 113.4 52.6 -65.3 -45.8 -10.6 16.6 75.5 100 100 A H H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 118.7 32.6 -68.1 -34.2 -13.6 18.5 74.2 101 101 A F T 3<5S- 0 0 24 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.157 108.1-118.8-107.4 17.5 -11.8 20.0 71.1 102 102 A N T < 5 - 0 0 56 -3,-1.3 2,-2.0 -4,-0.3 -3,-0.2 0.886 41.0-179.7 55.5 40.8 -9.6 17.0 70.6 103 103 A L < + 0 0 0 -5,-2.1 164,-0.3 -6,-0.2 -1,-0.2 -0.468 15.2 157.1 -75.7 77.1 -6.4 19.0 71.1 104 104 A F + 0 0 2 -2,-2.0 35,-2.8 162,-0.3 2,-0.5 0.604 51.0 66.4 -82.9 -10.7 -4.0 16.0 70.5 105 105 A A E -DE 138 266A 0 161,-1.6 161,-2.7 33,-0.2 2,-0.5 -0.949 58.9-168.9-121.5 121.6 -0.8 17.9 69.5 106 106 A N E -DE 137 265A 3 31,-2.5 31,-3.1 -2,-0.5 2,-0.5 -0.953 7.1-163.7-112.9 120.4 1.1 20.2 71.8 107 107 A L E +DE 136 264A 2 157,-3.1 157,-2.3 -2,-0.5 29,-0.2 -0.933 9.8 177.7-108.5 120.9 3.8 22.4 70.2 108 108 A R E -D 135 0A 32 27,-2.5 27,-2.3 -2,-0.5 155,-0.2 -0.938 15.0-151.9-122.9 105.6 6.4 24.0 72.4 109 109 A P E -D 134 0A 37 0, 0.0 2,-0.2 0, 0.0 25,-0.2 -0.457 10.1-172.4 -75.2 145.3 9.2 26.1 70.8 110 110 A C E +D 133 0A 3 23,-2.6 23,-2.7 -2,-0.1 2,-0.5 -0.766 22.7 151.4-135.1 91.5 12.5 26.4 72.4 111 111 A K E -D 132 0A 114 21,-0.3 2,-0.7 -2,-0.2 21,-0.2 -0.994 34.8-146.2-123.7 116.3 14.6 29.0 70.4 112 112 A I - 0 0 19 19,-2.1 19,-0.3 -2,-0.5 5,-0.1 -0.815 15.8-131.2 -92.3 119.3 17.1 30.8 72.5 113 113 A Y > - 0 0 37 -2,-0.7 3,-1.7 1,-0.1 4,-0.2 -0.303 16.3-124.2 -61.6 144.9 17.5 34.5 71.3 114 114 A E G > S+ 0 0 93 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.929 112.5 61.8 -58.8 -35.3 21.2 35.5 70.9 115 115 A S G 3 S+ 0 0 37 1,-0.2 3,-0.3 206,-0.1 -1,-0.3 0.699 104.6 47.0 -54.1 -25.2 20.4 38.3 73.3 116 116 A L G X> + 0 0 1 -3,-1.7 4,-0.7 1,-0.2 3,-0.6 0.134 67.7 116.2-122.9 15.9 19.6 35.8 76.1 117 117 A T G X4 S+ 0 0 25 -3,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.890 76.7 58.0 -40.0 -49.4 22.4 33.4 76.0 118 118 A H G 34 S+ 0 0 119 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.831 96.1 61.8 -59.8 -35.7 23.4 34.5 79.5 119 119 A A G <4 S+ 0 0 34 -3,-0.6 -1,-0.3 -4,-0.1 -2,-0.2 0.696 84.6 95.9 -70.8 -16.9 20.0 33.6 81.0 120 120 A S S << S- 0 0 10 -3,-1.3 134,-0.1 -4,-0.7 135,-0.1 -0.496 73.6-138.9 -75.7 144.5 20.4 29.9 80.1 121 121 A P S S+ 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.637 81.2 89.1 -75.7 -10.6 21.8 27.6 82.8 122 122 A L S S- 0 0 21 132,-0.4 -2,-0.1 1,-0.1 5,-0.1 -0.572 96.0 -92.3 -82.1 147.5 24.0 25.9 80.1 123 123 A K >> - 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0 0 2 -6,-0.3 41,-0.0 -3,-0.2 -9,-0.0 -0.221 62.8-115.6 -48.9 133.7 5.0 40.4 84.1 291 291 A N - 0 0 15 1,-0.1 4,-0.3 39,-0.1 3,-0.3 -0.734 28.6-172.1 -72.1 116.9 6.7 39.6 80.8 292 292 A P > + 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.545 62.1 94.0 -92.4 -4.8 4.1 39.7 78.2 293 293 A I H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.902 80.7 56.0 -56.9 -41.2 6.2 38.3 75.4 294 294 A A H > S+ 0 0 5 -35,-1.9 4,-2.6 -3,-0.3 -1,-0.2 0.945 111.0 43.7 -55.8 -48.0 5.1 34.6 76.0 295 295 A Q H > S+ 0 0 1 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.934 113.8 50.9 -66.0 -39.9 1.5 35.6 75.6 296 296 A I H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 3,-0.4 0.950 110.0 49.1 -64.2 -44.2 2.3 37.7 72.6 297 297 A L H X S+ 0 0 16 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.869 107.1 57.1 -61.3 -36.9 4.3 34.9 70.9 298 298 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.868 103.8 52.8 -58.0 -37.8 1.3 32.6 71.7 299 299 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 -3,-0.4 -1,-0.2 0.865 107.0 52.7 -68.4 -33.6 -0.9 35.0 69.7 300 300 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.919 107.5 50.5 -68.3 -39.1 1.6 34.7 66.8 301 301 A L H X S+ 0 0 8 -4,-2.3 4,-3.0 1,-0.2 5,-0.5 0.929 109.1 53.0 -64.4 -39.6 1.3 30.9 66.9 302 302 A X H X>S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-1.3 0.946 107.2 51.1 -54.0 -50.5 -2.4 31.4 66.8 303 303 A L H X5S+ 0 0 0 -4,-2.3 6,-2.2 3,-0.2 4,-0.8 0.920 117.2 40.0 -56.2 -48.3 -2.1 33.6 63.7 304 304 A K H X5S+ 0 0 47 -4,-2.5 4,-1.3 4,-0.2 -2,-0.2 0.974 123.0 33.3 -61.9 -65.9 0.1 30.9 62.0 305 305 A Y H <5S+ 0 0 68 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.776 130.6 27.2 -78.8 -25.1 -1.6 27.6 62.9 306 306 A S H <5S+ 0 0 21 -4,-2.4 -3,-0.2 -5,-0.5 -1,-0.2 0.793 132.4 27.4-102.8 -34.8 -5.2 28.6 63.1 307 307 A F H < + 0 0 39 -6,-2.2 4,-2.2 1,-0.2 -1,-0.2 -0.670 13.8 162.0-104.6 78.0 -1.7 34.5 58.6 310 310 A E H > + 0 0 107 -2,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.872 68.4 49.9 -74.9 -40.5 2.0 33.9 58.3 311 311 A Q H > S+ 0 0 96 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.928 111.3 50.4 -63.0 -43.5 3.2 37.4 57.5 312 312 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.951 113.3 46.2 -58.7 -48.2 1.3 38.8 60.5 313 313 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.932 111.4 51.1 -59.0 -49.1 2.8 36.1 62.7 314 314 A Q H X S+ 0 0 96 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.877 106.6 55.1 -60.8 -37.3 6.3 36.7 61.3 315 315 A D H X S+ 0 0 5 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.958 109.3 47.1 -55.7 -50.9 6.0 40.5 61.9 316 316 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.894 113.1 47.4 -61.1 -43.8 5.2 39.9 65.6 317 317 A E H X S+ 0 0 53 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.855 114.1 48.8 -66.1 -35.3 8.1 37.4 66.0 318 318 A N H X S+ 0 0 90 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.968 107.7 53.1 -69.9 -52.1 10.5 39.8 64.3 319 319 A A H X S+ 0 0 4 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.859 111.7 46.2 -48.2 -42.0 9.5 42.7 66.3 320 320 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.864 111.5 52.8 -71.1 -34.1 10.2 40.7 69.6 321 321 A S H X S+ 0 0 50 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.909 113.4 42.9 -63.3 -41.5 13.5 39.6 68.1 322 322 A L H X S+ 0 0 86 -4,-2.7 4,-1.9 2,-0.2 6,-0.2 0.929 111.2 53.6 -74.4 -45.9 14.5 43.2 67.4 323 323 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 -2,-0.2 0.903 111.9 45.1 -56.0 -44.9 13.2 44.6 70.8 324 324 A L H ><5S+ 0 0 1 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.927 110.5 53.4 -65.0 -46.0 15.2 42.0 72.7 325 325 A A H 3<5S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.746 105.1 56.4 -66.2 -23.8 18.4 42.6 70.6 326 326 A Q T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.204 121.8-110.3 -82.7 12.7 18.0 46.3 71.3 327 327 A G T < 5S+ 0 0 47 -3,-2.2 2,-1.0 1,-0.2 -3,-0.2 0.544 70.7 144.2 70.1 7.1 18.2 45.5 75.1 328 328 A K < + 0 0 79 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.681 28.8 148.1 -84.2 101.3 14.5 46.4 75.7 329 329 A X - 0 0 15 -2,-1.0 10,-2.2 8,-0.2 2,-0.0 -0.956 46.7-114.9-140.8 155.3 13.4 43.8 78.3 330 330 A T B >> -k 339 0C 0 -2,-0.3 4,-1.8 8,-0.2 3,-1.4 -0.265 47.8 -93.1 -83.7 172.4 11.2 43.1 81.3 331 331 A K T 34 S+ 0 0 90 8,-0.5 -41,-0.1 -42,-0.4 6,-0.1 0.790 121.1 59.6 -61.7 -35.9 12.5 42.5 84.8 332 332 A D T 34 S+ 0 0 83 -43,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.744 112.9 41.4 -66.8 -24.7 12.7 38.7 84.6 333 333 A L T <4 S+ 0 0 10 -3,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.800 131.7 19.3 -87.5 -40.0 15.1 39.1 81.7 334 334 A N < - 0 0 58 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.909 62.0-171.2-137.4 101.7 17.2 42.0 83.1 335 335 A A S S+ 0 0 84 -2,-0.4 3,-0.1 -3,-0.2 -1,-0.1 0.859 83.4 50.1 -58.8 -34.9 17.1 42.5 86.8 336 336 A K S S+ 0 0 98 1,-0.2 2,-0.4 -5,-0.0 -1,-0.1 0.898 121.9 15.0 -80.8 -43.5 19.0 45.9 86.8 337 337 A S S S+ 0 0 87 -7,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.988 80.3 153.3-137.8 127.6 17.2 47.9 84.1 338 338 A Y - 0 0 91 -2,-0.4 -8,-0.2 -3,-0.1 2,-0.2 -0.999 38.8-117.0-155.3 151.4 13.7 47.0 82.7 339 339 A L B -k 330 0C 46 -10,-2.2 -8,-0.5 -2,-0.3 2,-0.2 -0.523 35.3-117.8 -80.3 150.5 10.5 47.9 81.1 340 340 A N > - 0 0 49 -2,-0.2 4,-2.6 -10,-0.1 3,-0.4 -0.472 39.2 -93.9 -76.5 165.0 7.1 47.5 82.8 341 341 A T H > S+ 0 0 3 -53,-2.0 4,-1.8 1,-0.3 -52,-0.1 0.858 125.0 41.7 -52.3 -51.5 4.5 45.1 81.3 342 342 A D H > S+ 0 0 66 -54,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.768 112.4 53.7 -72.1 -27.9 2.7 47.8 79.3 343 343 A E H > S+ 0 0 83 -3,-0.4 4,-3.5 2,-0.2 -2,-0.2 0.884 108.4 51.5 -69.4 -39.2 5.9 49.7 78.1 344 344 A X H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.952 111.2 46.6 -64.2 -45.3 7.2 46.3 76.7 345 345 A G H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.940 114.5 47.8 -59.6 -47.9 4.0 45.8 74.8 346 346 A D H X S+ 0 0 70 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.894 109.1 53.9 -60.8 -40.3 4.2 49.4 73.7 347 347 A C H X S+ 0 0 14 -4,-3.5 4,-3.0 1,-0.2 5,-0.2 0.988 110.8 45.8 -60.4 -52.1 7.8 49.0 72.7 348 348 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.925 114.2 48.2 -53.2 -50.7 6.9 46.0 70.6 349 349 A L H X S+ 0 0 20 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.917 109.9 53.2 -58.0 -41.0 4.0 47.8 69.0 350 350 A E H >X S+ 0 0 106 -4,-3.3 4,-1.2 1,-0.2 3,-0.9 0.980 107.9 50.6 -57.6 -54.3 6.2 50.8 68.3 351 351 A I H 3X S+ 0 0 13 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.835 107.4 54.3 -51.9 -35.1 8.7 48.5 66.5 352 352 A L H 3< S+ 0 0 6 -4,-1.9 3,-0.4 -5,-0.2 -1,-0.2 0.840 99.9 60.1 -73.3 -32.7 5.9 47.1 64.4 353 353 A K H << S+ 0 0 113 -4,-1.6 -1,-0.2 -3,-0.9 -2,-0.2 0.898 94.0 63.9 -61.8 -41.0 4.7 50.4 63.1 354 354 A E H < 0 0 150 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.836 360.0 360.0 -53.4 -40.7 8.0 51.3 61.5 355 355 A N < 0 0 140 -4,-0.7 -2,-0.1 -3,-0.4 -3,-0.1 0.851 360.0 360.0 -68.2 360.0 7.7 48.4 59.0