==== 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 04-MAY-07 2PRH . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.WALSE,V.T.DUFE,S.AL-KARADAGHI . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 1 0 3 0 1 2 1 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 0 PARALLEL BRIDGES PER LADDER . 2 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 30 A M 0 0 179 0, 0.0 12,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.2 60.1 51.3 -8.5 2 31 A A - 0 0 74 38,-0.0 2,-0.2 2,-0.0 0, 0.0 0.104 360.0 -21.9 56.1-155.8 60.7 54.0 -6.0 3 32 A T - 0 0 97 36,-0.1 2,-0.2 37,-0.0 36,-0.0 -0.475 58.0-175.6-103.0 154.5 58.3 56.3 -4.0 4 33 A G - 0 0 14 -2,-0.2 37,-0.4 4,-0.1 2,-0.2 -0.779 36.1-130.4-144.0-170.3 54.7 57.7 -4.2 5 34 A D > - 0 0 102 -2,-0.2 4,-1.7 35,-0.1 5,-0.2 -0.155 56.0 -93.7 94.7 107.8 52.0 59.0 -4.0 6 35 A E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 121.5 51.0 -64.9 -44.0 48.6 57.4 -4.0 7 36 A R H > S+ 0 0 170 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.897 108.4 51.1 -64.7 -42.9 48.1 57.9 -7.8 8 37 A F H >>S+ 0 0 71 2,-0.2 5,-2.6 1,-0.2 4,-1.1 0.873 115.4 42.1 -62.9 -39.6 51.5 56.4 -8.8 9 38 A Y H <>S+ 0 0 19 -4,-1.7 5,-2.7 3,-0.2 -2,-0.2 0.929 120.5 40.8 -70.8 -46.5 50.9 53.2 -6.7 10 39 A A H <5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.872 125.4 33.2 -72.7 -41.2 47.3 52.7 -7.6 11 40 A E H <5S+ 0 0 104 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.689 137.5 5.7 -89.7 -22.0 47.5 53.6 -11.4 12 41 A H T X5S+ 0 0 110 -4,-1.1 4,-1.7 -5,-0.4 -3,-0.2 0.714 121.0 43.5-128.0 -65.8 51.0 52.3 -12.1 13 42 A L H > S+ 0 0 55 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.835 112.7 50.8 -61.4 -35.3 48.9 47.0 -11.4 16 45 A T H X S+ 0 0 87 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.915 110.6 48.4 -66.0 -44.7 52.3 46.4 -13.0 17 46 A L H X S+ 0 0 58 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.889 111.3 50.8 -62.1 -41.7 53.3 44.2 -10.0 18 47 A Q H < S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 108.9 51.9 -64.6 -32.8 50.0 42.2 -10.4 19 48 A G H < S+ 0 0 72 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.716 114.9 41.9 -75.5 -22.7 50.6 41.7 -14.1 20 49 A L H < S+ 0 0 137 -4,-1.1 2,-0.4 -3,-0.3 -2,-0.2 0.753 116.5 41.8 -93.3 -29.2 54.1 40.3 -13.4 21 50 A L S < S- 0 0 56 -4,-1.8 -1,-0.1 -5,-0.1 0, 0.0 -0.922 76.4-118.2-127.2 143.0 53.5 38.1 -10.4 22 51 A D > - 0 0 89 -2,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.395 45.9-101.9 -65.8 157.2 50.8 35.6 -9.2 23 52 A P H > S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.820 119.7 51.1 -58.9 -36.4 49.1 36.8 -5.9 24 53 A E H > S+ 0 0 9 81,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 110.5 49.0 -69.7 -36.3 51.1 34.5 -3.6 25 54 A S H > S+ 0 0 49 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.903 113.0 47.5 -63.7 -43.5 54.5 35.5 -5.0 26 55 A A H X S+ 0 0 21 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.846 110.1 53.6 -67.3 -36.7 53.5 39.2 -4.7 27 56 A H H X S+ 0 0 26 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.936 109.8 46.6 -57.8 -53.5 52.3 38.5 -1.1 28 57 A R H X S+ 0 0 158 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.873 114.2 48.4 -58.0 -40.9 55.7 37.0 -0.1 29 58 A L H X S+ 0 0 64 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.887 109.4 52.7 -67.7 -42.7 57.5 39.9 -1.8 30 59 A A H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.924 110.5 47.2 -55.3 -48.8 55.3 42.4 0.0 31 60 A V H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 112.6 51.7 -61.8 -42.2 56.1 40.8 3.4 32 61 A R H X S+ 0 0 174 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.930 113.0 41.9 -55.4 -54.4 59.8 40.8 2.4 33 62 A F H <>S+ 0 0 67 -4,-2.7 5,-2.6 1,-0.2 3,-0.4 0.875 114.3 51.9 -63.9 -43.1 59.9 44.5 1.5 34 63 A T H ><5S+ 0 0 6 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.904 107.1 52.4 -61.6 -44.8 57.8 45.6 4.5 35 64 A S H 3<5S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.673 109.9 49.3 -67.2 -21.2 60.1 43.7 7.0 36 65 A L T 3<5S- 0 0 123 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.412 116.1-117.0 -93.0 -3.3 63.1 45.4 5.5 37 66 A G T < 5 + 0 0 21 -3,-1.4 2,-2.1 -4,-0.3 -3,-0.2 0.691 60.3 153.7 73.0 21.7 61.4 48.8 5.9 38 67 A L < + 0 0 101 -5,-2.6 -1,-0.2 -6,-0.2 -3,-0.1 -0.498 30.1 135.4 -82.2 72.6 61.4 49.4 2.1 39 68 A L - 0 0 28 -2,-2.1 2,-0.1 2,-0.1 -36,-0.1 -0.839 54.5-122.2-120.8 152.1 58.4 51.7 2.3 40 69 A P - 0 0 8 0, 0.0 -35,-0.1 0, 0.0 -37,-0.0 -0.361 60.0 -46.6 -74.4 170.5 57.3 55.0 0.8 41 70 A R - 0 0 70 -37,-0.4 -2,-0.1 1,-0.1 42,-0.1 0.029 22.6-157.1 50.9-144.0 56.2 57.9 3.1 42 71 A A + 0 0 49 40,-0.1 -1,-0.1 285,-0.0 41,-0.1 0.233 30.0 159.8 -99.6 114.6 54.4 58.0 5.5 43 72 A R + 0 0 106 2,-0.1 2,-0.5 0, 0.0 -2,-0.1 0.511 43.9 105.6 -72.2 -6.3 53.7 61.7 5.2 44 73 A F - 0 0 47 1,-0.0 2,-0.6 2,-0.0 288,-0.0 -0.668 55.6-158.6 -82.8 124.6 50.5 61.4 7.3 45 74 A Q - 0 0 179 -2,-0.5 2,-0.2 286,-0.0 -2,-0.1 -0.901 22.7-125.2-100.9 120.8 50.7 62.8 10.9 46 75 A D - 0 0 42 -2,-0.6 2,-0.2 2,-0.1 15,-0.1 -0.498 24.1-147.2 -71.7 130.0 48.0 61.2 13.1 47 76 A S > - 0 0 34 -2,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.510 27.7-107.5 -89.8 163.5 45.8 63.8 14.9 48 77 A D G > S+ 0 0 143 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.709 115.1 72.0 -60.2 -22.3 44.2 63.4 18.4 49 78 A M G 3 S+ 0 0 32 1,-0.2 300,-2.7 299,-0.1 301,-0.3 0.741 95.5 50.6 -61.1 -29.8 40.8 63.0 16.5 50 79 A L G < S+ 0 0 0 -3,-1.6 -1,-0.2 298,-0.2 -2,-0.2 0.569 85.3 113.2 -90.4 -10.4 41.9 59.6 15.3 51 80 A E < - 0 0 37 -3,-0.8 299,-0.4 -4,-0.4 2,-0.4 -0.398 45.0-171.3 -70.6 134.9 42.9 58.3 18.7 52 81 A V E -A 59 0A 2 7,-2.7 7,-3.2 -2,-0.1 2,-0.6 -0.986 15.5-157.2-128.2 136.4 40.8 55.5 20.3 53 82 A R E +A 58 0A 185 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.941 41.2 130.5-113.0 109.5 40.9 54.1 23.8 54 83 A V E > +A 57 0A 18 3,-2.2 3,-2.0 -2,-0.6 -2,-0.1 -0.978 53.2 24.6-155.8 155.1 39.5 50.6 23.8 55 84 A L T 3 S- 0 0 23 -2,-0.3 159,-0.2 1,-0.3 3,-0.1 0.790 128.7 -60.1 55.7 34.8 40.3 47.0 25.0 56 85 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 157,-0.1 -1,-0.3 0.617 119.1 98.1 69.3 15.3 42.6 48.5 27.8 57 86 A H E < S-A 54 0A 44 -3,-2.0 -3,-2.2 89,-0.0 2,-0.5 -0.935 71.5-124.6-136.2 154.7 44.8 50.1 25.2 58 87 A K E -A 53 0A 61 -2,-0.3 2,-0.5 85,-0.3 -5,-0.2 -0.853 23.2-160.6 -93.1 130.2 45.4 53.4 23.4 59 88 A F E -A 52 0A 1 -7,-3.2 -7,-2.7 -2,-0.5 88,-0.2 -0.976 11.0-153.5-116.5 114.9 45.2 53.3 19.6 60 89 A R S S+ 0 0 91 86,-3.3 -10,-0.2 -2,-0.5 -1,-0.1 0.811 85.4 1.2 -55.7 -37.1 47.0 56.2 17.8 61 90 A N S S- 0 0 0 85,-0.4 -10,-0.1 24,-0.2 -1,-0.1 -0.959 72.5-123.3-147.3 158.6 44.6 55.7 14.9 62 91 A P S S+ 0 0 0 0, 0.0 254,-3.5 0, 0.0 2,-0.7 0.270 79.2 101.6 -90.6 14.2 41.8 53.2 14.3 63 92 A V E +b 316 0B 0 20,-0.2 22,-3.2 252,-0.2 23,-0.7 -0.868 48.1 170.7-107.6 107.4 43.2 51.7 11.1 64 93 A G E -bc 317 86B 0 252,-2.7 254,-1.9 -2,-0.7 2,-0.5 -0.609 38.0-107.8-109.0 166.7 44.9 48.3 11.5 65 94 A I E -bc 318 87B 0 21,-1.6 23,-1.2 252,-0.2 254,-0.2 -0.881 41.5-127.7 -91.5 125.7 46.2 45.6 9.2 66 95 A A > - 0 0 3 252,-2.2 3,-0.9 -2,-0.5 4,-0.4 -0.287 31.5 -85.9 -69.0 155.5 44.0 42.5 9.3 67 96 A A T 3 S+ 0 0 12 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.215 106.0 51.1 -54.8 150.1 45.2 38.9 10.0 68 97 A G T 3 S+ 0 0 10 22,-2.7 3,-0.3 2,-0.2 -1,-0.2 0.218 90.1 75.1 104.1 -15.2 46.5 37.0 7.0 69 98 A F S < S+ 0 0 11 -3,-0.9 2,-0.8 19,-0.3 3,-0.2 0.884 109.1 28.3 -87.5 -53.6 49.0 39.5 5.6 70 99 A D S > S+ 0 0 1 18,-0.4 20,-1.7 -4,-0.4 3,-0.6 -0.750 76.4 163.4-104.1 79.7 51.7 38.9 8.2 71 100 A K T 3 S+ 0 0 21 -2,-0.8 -1,-0.2 -3,-0.3 20,-0.2 0.808 73.9 36.2 -66.6 -32.2 50.9 35.3 9.1 72 101 A H T 3 S- 0 0 22 -3,-0.2 -1,-0.2 18,-0.1 59,-0.1 0.214 110.7-106.0-115.0 11.4 54.2 34.6 10.9 73 102 A G S < S+ 0 0 4 -3,-0.6 3,-0.3 17,-0.1 -2,-0.1 0.812 77.2 130.7 71.0 33.5 55.0 37.9 12.7 74 103 A E S S+ 0 0 77 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 0.511 70.9 32.9 -95.4 -8.4 57.8 38.8 10.2 75 104 A A > + 0 0 3 2,-0.1 4,-2.1 1,-0.1 5,-0.2 0.055 69.9 127.7-140.7 27.6 56.9 42.4 9.3 76 105 A V H > S+ 0 0 3 -3,-0.3 4,-1.5 1,-0.2 5,-0.1 0.901 79.8 43.6 -60.3 -47.0 55.3 44.0 12.4 77 106 A D H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 111.6 53.1 -68.9 -39.2 57.6 47.1 12.6 78 107 A G H > S+ 0 0 6 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.844 107.2 54.2 -64.0 -33.4 57.4 47.7 8.8 79 108 A L H <>S+ 0 0 0 -4,-2.1 5,-1.4 2,-0.2 4,-0.4 0.853 106.9 49.4 -68.9 -36.5 53.6 47.7 9.1 80 109 A Y H ><5S+ 0 0 20 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.893 109.0 53.7 -63.1 -40.4 53.7 50.3 11.8 81 110 A K H 3<5S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.783 98.6 64.3 -62.1 -29.4 56.0 52.4 9.5 82 111 A M T 3<5S- 0 0 9 -4,-1.1 -1,-0.3 -5,-0.1 249,-0.2 0.664 124.9-103.2 -68.7 -17.9 53.3 51.9 6.9 83 112 A G T < 5 + 0 0 10 -3,-1.4 -20,-0.2 -4,-0.4 -3,-0.2 0.408 68.9 149.1 110.8 -1.2 51.0 54.0 9.1 84 113 A F < - 0 0 1 -5,-1.4 -1,-0.3 1,-0.1 -20,-0.2 -0.415 43.0-145.6 -65.5 138.8 48.8 51.3 10.6 85 114 A G S S+ 0 0 0 -22,-3.2 -25,-0.4 1,-0.2 2,-0.3 0.587 82.6 8.4 -84.0 -14.3 47.5 52.1 14.1 86 115 A F E -c 64 0B 0 -23,-0.7 -21,-1.6 61,-0.2 2,-0.4 -0.966 68.2-140.5-160.7 159.7 47.7 48.5 15.1 87 116 A V E -cd 65 149B 0 61,-1.6 63,-3.3 -2,-0.3 2,-0.5 -0.972 6.3-164.3-127.3 133.4 48.9 45.2 13.7 88 117 A E E - d 0 150B 0 -23,-1.2 -18,-0.4 -2,-0.4 -19,-0.3 -0.989 12.3-164.9-116.4 123.8 47.4 41.8 13.8 89 118 A I E - d 0 151B 0 61,-2.6 63,-3.0 -2,-0.5 -18,-0.3 -0.635 32.8 -14.3-101.0 164.0 49.5 38.8 13.0 90 119 A G E - 0 0 0 -20,-1.7 -22,-2.7 1,-0.3 2,-0.1 -0.578 36.6-126.2 106.8-170.7 48.4 35.3 12.2 91 120 A S E - 0 0 6 61,-0.5 2,-0.5 -24,-0.2 -1,-0.3 0.351 55.7-173.8 -68.4 141.8 46.6 33.1 12.1 92 121 A V E - d 0 153B 1 60,-2.3 62,-3.2 -3,-0.2 30,-0.1 -0.941 7.6-157.1-110.1 129.3 49.2 31.1 14.0 93 122 A T - 0 0 0 -2,-0.5 32,-1.1 60,-0.2 62,-0.2 -0.699 27.0-114.5-101.7 154.3 48.7 27.3 14.6 94 123 A P S S+ 0 0 17 0, 0.0 31,-0.9 0, 0.0 32,-0.6 0.932 101.9 34.5 -53.7 -53.2 50.3 25.3 17.4 95 124 A K S S- 0 0 138 29,-0.2 29,-0.3 30,-0.1 -2,-0.2 -0.743 100.0 -98.8 -97.4 151.1 52.4 23.1 15.1 96 125 A P + 0 0 92 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.360 47.8 177.1 -58.6 146.2 53.9 24.3 11.8 97 126 A Q B -J 122 0C 39 25,-2.1 25,-2.4 23,-0.1 27,-0.1 -0.976 33.8-136.0-155.0 151.6 51.8 23.3 8.8 98 127 A E - 0 0 165 -2,-0.3 23,-0.2 1,-0.2 2,-0.1 0.695 37.4-147.7 -82.0 -22.9 52.0 23.9 5.0 99 128 A G - 0 0 27 21,-0.3 20,-0.3 20,-0.2 -1,-0.2 -0.382 47.0 -17.3 78.0-164.9 48.4 24.8 4.3 100 129 A N S S- 0 0 51 18,-2.6 4,-0.1 17,-0.3 17,-0.0 -0.210 77.4 -90.3 -72.2 158.7 46.6 23.9 1.0 101 130 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.369 65.2 -68.2 -63.8 151.6 48.3 23.0 -2.3 102 131 A R S S+ 0 0 162 2,-0.1 2,-0.1 -2,-0.0 16,-0.0 -0.582 109.7 52.2 -87.0 150.4 49.1 26.0 -4.7 103 132 A P + 0 0 88 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.557 67.4 143.8 -73.5 148.3 47.6 27.9 -6.4 104 133 A R + 0 0 14 1,-0.2 13,-3.6 -2,-0.1 2,-0.3 0.204 52.3 63.2-141.9 7.9 45.5 28.9 -3.4 105 134 A V E -K 116 0D 12 11,-0.2 2,-0.4 12,-0.1 -81,-0.2 -0.993 61.3-169.0-138.7 142.6 44.9 32.7 -3.8 106 135 A F E -K 115 0D 16 9,-2.8 9,-3.1 -2,-0.3 2,-0.3 -0.998 14.4-137.2-144.1 129.2 43.1 34.2 -6.7 107 136 A R E -K 114 0D 45 -2,-0.4 153,-0.3 7,-0.2 7,-0.2 -0.664 10.4-171.2 -89.4 138.1 42.7 37.8 -7.8 108 137 A L E > > +K 113 0D 0 5,-2.8 5,-2.1 -2,-0.3 3,-1.3 -0.716 14.0 171.2-124.0 78.0 39.4 39.2 -9.0 109 138 A P G > 5S+ 0 0 68 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.844 73.8 57.0 -63.4 -38.0 40.5 42.6 -10.4 110 139 A E G 3 5S+ 0 0 126 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.701 116.2 38.5 -63.3 -20.5 37.1 43.6 -11.9 111 140 A D G < 5S- 0 0 19 -3,-1.3 -1,-0.2 2,-0.2 159,-0.2 0.371 105.8-124.0-107.4 -2.4 35.6 43.2 -8.5 112 141 A Q T < 5S+ 0 0 77 -3,-1.0 158,-1.9 -4,-0.5 2,-0.3 0.957 75.2 122.6 47.7 53.6 38.4 44.6 -6.4 113 142 A A E < -KL 108 269D 0 -5,-2.1 -5,-2.8 156,-0.2 2,-0.3 -0.903 52.4-151.3-140.5 161.7 38.3 41.3 -4.6 114 143 A V E -KL 107 268D 21 154,-1.0 154,-2.5 -2,-0.3 2,-0.5 -0.972 5.8-153.1-130.9 145.2 40.5 38.3 -3.8 115 144 A I E -KL 106 267D 0 -9,-3.1 -9,-2.8 -2,-0.3 2,-0.4 -0.997 23.4-177.3-111.9 130.1 39.5 34.6 -3.1 116 145 A N E +KL 105 266D 40 150,-2.0 150,-2.5 -2,-0.5 -11,-0.2 -0.972 29.2 170.4-127.8 142.6 41.9 32.8 -0.8 117 146 A R + 0 0 68 -13,-3.6 -17,-0.3 -2,-0.4 -12,-0.1 -0.331 26.0 147.0-135.6 52.3 42.2 29.2 0.4 118 147 A Y - 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0 0 45 16,-0.1 16,-0.2 1,-0.0 -2,-0.1 -0.432 67.2-147.8 -74.4 161.0 29.0 33.4 -0.4 252 289 A R - 0 0 74 -2,-0.1 3,-0.1 10,-0.0 4,-0.1 -0.769 17.8-145.2-131.1 88.1 29.4 34.7 -4.0 253 290 A P > - 0 0 49 0, 0.0 3,-1.2 0, 0.0 19,-0.0 -0.123 29.3 -98.1 -51.9 145.1 27.1 37.7 -4.3 254 291 A A T 3 S+ 0 0 109 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.379 106.4 47.7 -61.0 145.2 25.5 38.1 -7.7 255 292 A G T 3 + 0 0 54 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.247 67.2 146.3 104.5 -13.5 27.4 40.5 -10.0 256 293 A L < - 0 0 8 -3,-1.2 -1,-0.3 1,-0.1 -145,-0.0 -0.389 23.6-175.7 -54.8 131.7 31.0 39.2 -9.5 257 294 A Q + 0 0 129 -149,-0.1 -1,-0.1 -2,-0.1 4,-0.0 0.629 40.7 115.8-106.1 -24.8 32.8 39.7 -12.8 258 295 A G > - 0 0 1 1,-0.2 3,-1.5 -150,-0.1 4,-0.1 -0.200 66.3-134.8 -55.5 137.3 36.2 38.0 -12.1 259 296 A A T 3 S+ 0 0 100 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.792 106.7 55.1 -61.0 -26.3 36.9 34.9 -14.2 260 297 A L T > S+ 0 0 71 -153,-0.3 3,-1.9 1,-0.2 -1,-0.3 0.213 70.2 116.3 -93.7 14.9 38.0 33.2 -11.0 261 298 A R T < S+ 0 0 122 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.647 70.2 58.4 -60.4 -20.1 34.8 33.9 -9.0 262 299 A S T 3 S+ 0 0 107 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.2 0.277 76.4 121.1 -99.5 8.8 34.0 30.1 -8.7 263 300 A E S < S- 0 0 56 -3,-1.9 2,-0.2 1,-0.1 -147,-0.1 -0.477 71.8-108.8 -63.7 138.2 37.2 29.2 -6.9 264 301 A T S S+ 0 0 106 -2,-0.2 2,-0.2 -149,-0.1 -1,-0.1 -0.510 74.7 68.3 -64.0 136.5 36.7 27.7 -3.5 265 302 A G S S- 0 0 12 -2,-0.2 2,-0.5 -15,-0.1 -148,-0.2 -0.828 85.4 -44.4 146.3-175.2 37.7 29.9 -0.6 266 303 A G E -L 116 0D 0 -150,-2.5 -150,-2.0 -2,-0.2 2,-0.4 -0.745 49.0-139.3 -88.3 130.7 36.9 33.1 1.3 267 304 A L E +LM 115 249D 0 -18,-3.1 -18,-2.3 -2,-0.5 2,-0.2 -0.752 26.5 176.3 -89.4 133.4 36.0 36.2 -0.7 268 305 A S E +L 114 0D 12 -154,-2.5 -154,-1.0 -2,-0.4 2,-0.2 -0.769 32.4 42.4-128.5 171.0 37.4 39.5 0.5 269 306 A G E >> S-L 113 0D 5 -2,-0.2 3,-1.6 -156,-0.2 4,-0.7 -0.534 106.2 -9.5 95.2-156.7 37.4 43.1 -0.7 270 307 A K G >4 S+ 0 0 82 -158,-1.9 3,-1.1 1,-0.3 4,-0.5 0.821 127.7 56.6 -54.4 -43.0 34.6 45.3 -2.1 271 308 A P G 34 S+ 0 0 36 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.751 110.3 47.8 -63.7 -20.8 32.0 42.6 -2.6 272 309 A L G <> S+ 0 0 5 -3,-1.6 4,-2.2 1,-0.1 5,-0.2 0.614 89.4 94.1 -83.8 -17.0 32.3 41.8 1.1 273 310 A R H S+ 0 0 85 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.829 114.7 59.6 -75.0 -29.7 28.4 46.0 3.1 275 312 A L H > S+ 0 0 66 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.907 110.0 45.5 -56.5 -43.6 27.7 42.4 4.2 276 313 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.878 110.8 51.7 -66.2 -43.2 30.4 43.1 6.8 277 314 A T H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.921 109.5 50.4 -62.8 -44.0 29.0 46.5 7.8 278 315 A Q H X S+ 0 0 110 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.834 108.6 51.9 -60.7 -37.6 25.6 45.0 8.3 279 316 A T H X S+ 0 0 4 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.884 109.6 49.9 -67.6 -40.1 27.0 42.2 10.5 280 317 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.944 110.4 51.0 -57.5 -49.1 28.8 44.9 12.6 281 318 A R H X S+ 0 0 71 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.931 114.2 43.1 -54.4 -51.6 25.4 46.7 12.8 282 319 A E H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.902 113.7 49.5 -63.3 -44.7 23.6 43.6 14.0 283 320 A M H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 6,-0.2 0.838 109.3 53.7 -67.1 -33.6 26.4 42.5 16.5 284 321 A Y H <>S+ 0 0 32 -4,-2.3 5,-2.8 27,-0.2 6,-0.3 0.910 112.1 43.1 -63.1 -47.4 26.5 46.0 18.0 285 322 A A H ><5S+ 0 0 59 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.901 112.6 53.4 -66.6 -42.7 22.7 46.0 18.7 286 323 A L H 3<5S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 113.8 42.6 -62.2 -28.0 22.8 42.3 20.0 287 324 A T T ><5S- 0 0 0 -4,-1.2 3,-2.1 -5,-0.2 -1,-0.3 0.184 112.6-119.0-104.8 13.5 25.5 43.3 22.5 288 325 A Q T < 5 - 0 0 104 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.711 62.2 -69.6 56.8 28.4 23.8 46.6 23.5 289 326 A G T 3 S- 0 0 24 1,-0.1 4,-2.0 32,-0.1 32,-0.1 -0.922 83.5-105.2-145.2 170.5 38.4 54.6 1.9 302 339 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 30,-0.2 5,-0.2 0.886 121.3 53.9 -61.6 -40.5 37.5 57.0 4.8 303 340 A Q H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.942 107.8 49.4 -59.5 -49.2 33.8 56.5 3.9 304 341 A D H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.908 115.0 45.5 -52.0 -46.8 34.2 52.7 4.1 305 342 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.924 114.1 46.7 -64.8 -48.1 35.9 53.1 7.5 306 343 A L H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.819 106.5 58.3 -69.2 -33.4 33.4 55.7 8.9 307 344 A E H X S+ 0 0 43 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.935 110.5 44.4 -57.8 -43.5 30.4 53.5 7.7 308 345 A K H X>S+ 0 0 0 -4,-1.5 5,-2.6 -5,-0.2 4,-0.7 0.904 114.1 48.9 -69.2 -41.7 31.7 50.7 9.9 309 346 A I H ><5S+ 0 0 0 -4,-2.2 45,-2.7 3,-0.2 3,-1.1 0.938 112.2 48.1 -58.7 -51.4 32.5 53.1 12.8 310 347 A R H 3<5S+ 0 0 47 -4,-3.1 46,-2.0 1,-0.3 47,-0.6 0.805 108.6 56.1 -56.7 -34.2 29.0 54.6 12.6 311 348 A A H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -27,-0.2 0.615 137.8 -78.4 -77.6 -16.8 27.6 51.0 12.5 312 349 A G T <<5S+ 0 0 2 -3,-1.1 -19,-0.5 -4,-0.7 2,-0.3 0.385 83.8 135.4 137.7 -0.1 29.3 50.2 15.8 313 350 A A < - 0 0 0 -5,-2.6 -1,-0.3 1,-0.1 41,-0.2 -0.579 33.2-167.8 -75.5 132.6 33.0 49.5 15.2 314 351 A S S S+ 0 0 15 -21,-2.5 2,-0.3 -2,-0.3 -20,-0.2 0.688 81.1 12.3 -84.0 -25.1 35.5 51.1 17.6 315 352 A L E S- i 0 294B 1 -22,-1.4 -20,-3.1 -7,-0.1 2,-0.3 -0.949 72.2-146.7-145.4 159.2 38.4 50.3 15.2 316 353 A V E -bi 63 295B 0 -254,-3.5 -252,-2.7 -2,-0.3 2,-0.3 -0.896 4.8-158.8-128.4 161.1 38.7 49.0 11.6 317 354 A Q E -bi 64 296B 0 -22,-2.3 -20,-0.6 -2,-0.3 2,-0.3 -0.949 5.4-169.5-130.1 155.6 41.1 46.8 9.7 318 355 A L E +b 65 0B 3 -254,-1.9 -252,-2.2 -2,-0.3 -18,-0.1 -0.964 21.2 150.3-137.0 162.5 41.9 46.4 6.0 319 356 A Y S >> S+ 0 0 53 -2,-0.3 3,-1.4 -20,-0.2 4,-0.8 0.227 72.8 51.6-146.6 -68.6 43.9 43.9 4.0 320 357 A T H >> S+ 0 0 14 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.794 103.2 62.2 -53.5 -34.5 42.6 43.5 0.3 321 358 A A H >>>S+ 0 0 10 -22,-0.4 4,-2.8 1,-0.2 3,-0.6 0.895 98.9 57.4 -57.6 -41.0 42.7 47.3 -0.3 322 359 A L H <>5S+ 0 0 10 -3,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.808 100.5 57.2 -56.5 -35.6 46.5 47.1 0.3 323 360 A T H <<5S+ 0 0 39 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.805 117.3 32.6 -70.3 -28.8 46.9 44.6 -2.5 324 361 A F H <<5S+ 0 0 28 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.817 133.5 25.7 -93.6 -38.3 45.3 47.0 -5.0 325 362 A W H <5S- 0 0 73 -4,-2.8 -3,-0.2 -5,-0.2 -311,-0.2 0.736 95.9-148.6 -98.0 -32.2 46.4 50.4 -3.8 326 363 A G ><< - 0 0 0 -4,-1.1 3,-2.5 -5,-0.5 4,-0.3 -0.266 51.0 -28.5 86.1-175.9 49.6 49.5 -1.9 327 364 A P T > S+ 0 0 25 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.764 127.1 66.3 -41.9 -43.6 51.2 51.2 1.2 328 365 A P T 3> S+ 0 0 19 0, 0.0 4,-1.8 0, 0.0 3,-0.1 0.672 81.7 79.7 -60.2 -13.9 49.7 54.7 0.4 329 366 A V H <> S+ 0 0 0 -3,-2.5 4,-2.4 1,-0.2 5,-0.2 0.825 85.2 61.6 -59.3 -30.5 46.2 53.3 1.0 330 367 A V H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.2 0.948 107.9 39.1 -62.2 -52.3 46.8 53.6 4.8 331 368 A G H > S+ 0 0 17 -4,-0.4 4,-2.8 -249,-0.2 5,-0.2 0.835 113.4 58.1 -67.9 -34.7 47.3 57.4 4.8 332 369 A K H X S+ 0 0 11 -4,-1.8 4,-2.4 2,-0.2 -30,-0.2 0.935 107.9 44.9 -57.9 -52.2 44.5 57.8 2.3 333 370 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.924 115.6 47.7 -59.8 -45.5 42.0 56.1 4.6 334 371 A K H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.905 113.1 47.0 -62.8 -46.1 43.1 58.1 7.6 335 372 A R H X S+ 0 0 107 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.903 115.7 45.2 -63.1 -45.1 43.1 61.5 5.8 336 373 A E H X S+ 0 0 61 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.909 112.0 52.0 -66.8 -42.5 39.6 60.8 4.3 337 374 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.939 109.7 49.0 -59.4 -50.1 38.2 59.5 7.7 338 375 A E H X S+ 0 0 33 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.895 112.4 48.4 -54.9 -44.8 39.5 62.6 9.5 339 376 A A H X S+ 0 0 46 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.888 112.3 48.9 -63.5 -40.4 37.9 64.9 6.8 340 377 A L H X S+ 0 0 31 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.877 107.9 54.0 -66.9 -41.3 34.6 63.0 7.0 341 378 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.907 111.6 45.4 -56.7 -46.3 34.5 63.2 10.8 342 379 A K H ><5S+ 0 0 126 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.932 111.2 52.5 -62.5 -49.2 34.9 67.0 10.6 343 380 A E H 3<5S+ 0 0 149 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.756 112.1 46.6 -54.4 -32.0 32.2 67.3 7.8 344 381 A Q T 3<5S- 0 0 83 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.314 116.3-111.4-102.1 9.2 29.8 65.3 10.0 345 382 A G T < 5 + 0 0 68 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.726 64.2 147.5 69.1 26.1 30.4 67.2 13.2 346 383 A F < - 0 0 41 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.776 46.0-144.9 -88.2 136.2 32.1 64.5 15.2 347 384 A G S S- 0 0 56 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.806 76.7 -34.8 -64.7 -31.5 34.7 65.7 17.7 348 385 A G S >> S- 0 0 7 -7,-0.1 4,-0.8 -298,-0.1 3,-0.7 -0.940 78.3 -69.5-171.8-175.6 36.7 62.5 16.9 349 386 A V H >> S+ 0 0 0 -300,-2.7 3,-1.0 -2,-0.3 4,-1.0 0.874 123.3 62.7 -57.6 -41.5 36.4 58.8 16.1 350 387 A T H 34 S+ 0 0 82 -299,-0.4 3,-0.3 -301,-0.3 -1,-0.2 0.818 100.2 52.0 -56.2 -37.5 35.1 58.0 19.6 351 388 A D H <4 S+ 0 0 85 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.766 107.9 53.3 -71.6 -25.2 32.0 60.2 19.1 352 389 A A H X< S+ 0 0 0 -3,-1.0 3,-2.5 -4,-0.8 4,-0.3 0.678 76.3 116.4 -84.8 -20.3 31.2 58.4 15.9 353 390 A I T 3< S- 0 0 24 -4,-1.0 -43,-0.2 -3,-0.3 -39,-0.1 -0.325 97.9 -8.1 -57.1 115.3 31.2 54.8 17.3 354 391 A G T > S+ 0 0 0 -45,-2.7 3,-1.4 -2,-0.2 4,-0.3 0.612 88.6 144.4 72.5 15.5 27.6 53.5 16.9 355 392 A A G X + 0 0 14 -3,-2.5 3,-1.0 1,-0.3 4,-0.2 0.750 64.6 60.9 -58.6 -30.2 26.3 56.9 15.8 356 393 A D G > S+ 0 0 34 -46,-2.0 3,-0.9 -4,-0.3 -1,-0.3 0.798 97.7 59.5 -64.0 -30.9 23.8 55.3 13.3 357 394 A H G < S+ 0 0 65 -3,-1.4 -1,-0.2 -47,-0.6 -2,-0.2 0.573 104.1 50.7 -76.5 -10.4 22.1 53.5 16.2 358 395 A R G < 0 0 144 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.352 360.0 360.0-110.6 0.0 21.3 56.8 17.9 359 396 A R < 0 0 262 -3,-0.9 -2,-0.1 -4,-0.2 -1,-0.1 0.719 360.0 360.0 -65.2 360.0 19.7 58.4 14.8