==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 09-JUL-12 4G09 . COMPND 2 MOLECULE: HISTIDINOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA SUIS; . AUTHOR K.D'AMBROSIO,G.DE SIMONE . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.7 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 0 2 4 1 2 0 2 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 2 3 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 . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 2 A V 0 0 55 0, 0.0 302,-0.1 0, 0.0 301,-0.1 0.000 360.0 360.0 360.0 172.0 58.0 47.6 112.8 2 3 A T - 0 0 73 299,-0.4 301,-2.7 296,-0.3 2,-0.5 -0.102 360.0-171.4 -44.2 119.8 54.2 47.9 112.8 3 4 A T E -a 303 0A 47 299,-0.2 2,-0.4 301,-0.1 301,-0.2 -0.969 9.6-166.8-124.2 124.9 52.7 45.3 115.1 4 5 A L E -a 304 0A 14 299,-3.0 301,-3.0 -2,-0.5 2,-0.5 -0.889 6.6-156.9-108.9 140.2 49.0 44.5 115.5 5 6 A R E -a 305 0A 81 -2,-0.4 3,-0.3 299,-0.2 301,-0.1 -0.967 14.1-153.1-120.6 119.1 47.6 42.5 118.4 6 7 A Q S S+ 0 0 54 299,-2.2 6,-0.2 -2,-0.5 5,-0.2 0.734 96.5 69.1 -62.1 -18.7 44.4 40.6 118.0 7 8 A T S S+ 0 0 109 298,-0.3 -1,-0.2 4,-0.1 4,-0.1 0.992 76.9 103.0 -56.1 -63.8 44.1 41.0 121.8 8 9 A D S > S- 0 0 54 -3,-0.3 3,-2.5 1,-0.2 4,-0.4 0.238 72.5-139.5 -24.5 122.7 43.6 44.8 121.4 9 10 A P T 3 S+ 0 0 127 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.749 110.6 46.6 -62.9 -19.6 40.1 46.0 121.9 10 11 A D T 3> S+ 0 0 85 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.250 81.8 107.4-103.4 11.3 40.9 48.3 119.0 11 12 A F H <> S+ 0 0 10 -3,-2.5 4,-3.6 1,-0.2 5,-0.3 0.935 76.5 50.9 -53.8 -52.2 42.4 45.6 116.9 12 13 A E H > S+ 0 0 95 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.920 111.7 46.7 -55.5 -47.4 39.6 45.4 114.4 13 14 A Q H > S+ 0 0 145 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 116.9 44.2 -61.2 -44.7 39.5 49.1 113.8 14 15 A K H X S+ 0 0 107 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.914 114.2 49.7 -65.6 -43.5 43.3 49.2 113.4 15 16 A F H X S+ 0 0 0 -4,-3.6 4,-1.9 -5,-0.2 -2,-0.2 0.936 110.5 49.4 -61.6 -48.9 43.3 46.0 111.2 16 17 A A H X S+ 0 0 41 -4,-2.9 4,-0.7 -5,-0.3 -1,-0.2 0.849 112.9 48.2 -59.4 -35.4 40.6 47.4 108.9 17 18 A A H >< S+ 0 0 58 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.2 0.908 108.2 54.2 -71.1 -41.1 42.6 50.6 108.6 18 19 A F H 3< S+ 0 0 41 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 107.6 51.9 -59.1 -35.5 45.7 48.7 107.9 19 20 A L H 3< S+ 0 0 27 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.648 92.9 92.5 -77.5 -17.8 43.9 46.9 105.0 20 21 A S << 0 0 89 -3,-0.9 -3,-0.0 -4,-0.7 0, 0.0 -0.422 360.0 360.0 -79.1 156.1 42.7 50.1 103.4 21 22 A G 0 0 126 -2,-0.1 -1,-0.2 347,-0.1 -2,-0.1 -0.033 360.0 360.0 111.1 360.0 44.6 51.8 100.6 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 28 A E > 0 0 207 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -48.0 45.5 61.3 89.6 24 29 A D T 3> + 0 0 136 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.398 360.0 98.1 -77.1 3.4 45.2 63.8 86.8 25 30 A V H 3> S+ 0 0 24 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.852 71.3 69.3 -57.2 -32.8 47.2 61.3 84.9 26 31 A D H <> S+ 0 0 83 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 0.943 96.1 48.5 -49.5 -59.1 43.7 60.3 83.6 27 32 A R H > S+ 0 0 193 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.908 115.0 45.8 -49.1 -49.4 43.3 63.5 81.6 28 33 A A H X S+ 0 0 34 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.904 113.6 47.9 -63.0 -44.9 46.8 63.1 80.1 29 34 A V H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.907 106.1 58.3 -65.1 -40.5 46.4 59.4 79.2 30 35 A R H X S+ 0 0 141 -4,-3.1 4,-2.2 -5,-0.3 -1,-0.2 0.920 110.3 43.7 -55.8 -44.7 43.0 60.0 77.7 31 36 A E H X S+ 0 0 99 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.906 113.3 50.3 -68.8 -41.2 44.6 62.4 75.2 32 37 A I H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.951 113.2 46.2 -60.4 -50.4 47.6 60.2 74.5 33 38 A V H X S+ 0 0 5 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.932 114.0 47.8 -59.6 -46.5 45.4 57.2 73.8 34 39 A D H X S+ 0 0 47 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.908 112.3 49.5 -62.4 -43.0 43.0 59.1 71.6 35 40 A R H X S+ 0 0 46 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.907 111.4 47.3 -64.4 -43.2 45.8 60.7 69.6 36 41 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.918 113.6 50.9 -63.5 -39.7 47.6 57.4 69.0 37 42 A R H < S+ 0 0 148 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.962 119.3 34.9 -59.0 -54.1 44.2 56.0 68.0 38 43 A R H < S+ 0 0 192 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.784 131.1 29.5 -73.2 -31.0 43.5 58.8 65.5 39 44 A E H >< S- 0 0 87 -4,-3.2 3,-0.8 -5,-0.2 -3,-0.2 0.645 83.3-167.7-109.6 -17.8 47.1 59.4 64.3 40 45 A G T >X + 0 0 6 -4,-2.5 4,-1.6 -5,-0.4 3,-1.2 -0.318 63.5 3.9 73.8-148.5 49.0 56.1 64.5 41 46 A D H 3> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.808 125.3 64.2 -44.6 -39.8 52.8 55.6 64.1 42 47 A S H <> S+ 0 0 74 -3,-0.8 4,-1.7 1,-0.2 -1,-0.3 0.915 107.1 40.6 -52.9 -49.0 53.2 59.4 63.9 43 48 A A H <> S+ 0 0 0 -3,-1.2 4,-2.8 -8,-0.2 -1,-0.2 0.807 109.9 60.3 -72.1 -31.5 51.9 59.8 67.5 44 49 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.938 108.0 43.0 -60.9 -50.9 53.8 56.8 68.7 45 50 A L H X S+ 0 0 22 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.934 112.5 55.2 -61.4 -46.4 57.2 58.3 67.8 46 51 A D H X S+ 0 0 29 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.965 113.6 39.3 -50.2 -60.7 56.1 61.6 69.2 47 52 A Y H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.813 112.8 57.4 -63.0 -29.7 55.3 60.2 72.6 48 53 A S H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 6,-0.7 0.925 109.2 44.1 -68.7 -41.1 58.3 57.9 72.5 49 54 A R H X S+ 0 0 107 -4,-2.9 4,-1.5 4,-0.2 -2,-0.2 0.963 114.9 51.1 -63.5 -49.4 60.7 60.8 72.0 50 55 A R H < S+ 0 0 130 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.867 127.0 20.0 -55.1 -42.9 58.8 62.7 74.7 51 56 A F H < S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.718 134.2 32.2-105.8 -23.9 58.9 59.9 77.3 52 57 A D H < S- 0 0 17 -4,-3.1 108,-3.3 -5,-0.3 109,-0.4 0.392 91.4-130.6-113.5 1.0 61.7 57.5 76.3 53 58 A R < + 0 0 145 -4,-1.5 2,-0.3 -5,-0.5 -4,-0.2 0.903 65.1 132.4 48.0 46.6 64.1 60.1 74.8 54 59 A I - 0 0 16 -6,-0.7 2,-0.7 -9,-0.2 -1,-0.2 -0.928 56.3-142.8-127.6 150.8 64.4 57.7 71.8 55 60 A D >> - 0 0 49 -2,-0.3 4,-1.9 1,-0.1 3,-1.9 -0.823 16.2-177.5-116.1 90.6 64.1 58.4 68.1 56 61 A L H 3> S+ 0 0 3 -2,-0.7 4,-2.1 1,-0.3 -1,-0.1 0.678 75.6 73.7 -62.8 -19.5 62.3 55.4 66.6 57 62 A E H 34 S+ 0 0 136 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.773 112.3 29.7 -65.3 -22.5 62.7 56.7 63.0 58 63 A K H <4 S+ 0 0 181 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.824 126.5 40.1-101.0 -47.3 66.3 55.7 63.4 59 64 A T H < S- 0 0 53 -4,-1.9 -3,-0.2 1,-0.1 -2,-0.2 0.746 108.1-129.6 -75.2 -22.9 66.3 52.8 65.8 60 65 A G < - 0 0 30 -4,-2.1 121,-0.2 -5,-0.3 -3,-0.1 0.166 10.1-107.5 84.1 150.0 63.2 51.4 64.1 61 66 A I S S+ 0 0 18 119,-0.1 120,-2.9 -4,-0.1 2,-0.3 0.916 99.4 65.7 -78.9 -44.8 60.1 50.4 66.1 62 67 A A B S-F 180 0B 47 118,-0.2 2,-0.3 -6,-0.1 118,-0.2 -0.589 81.8-130.2 -83.3 139.0 60.4 46.6 65.7 63 68 A V - 0 0 9 116,-2.4 116,-0.4 -2,-0.3 2,-0.2 -0.670 32.3-126.5 -81.8 140.3 63.4 44.8 67.2 64 69 A T > - 0 0 67 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.523 12.6-120.5 -92.2 159.8 65.0 42.6 64.6 65 70 A E H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.836 118.7 59.0 -63.0 -28.2 65.8 38.9 64.8 66 71 A A H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 104.8 47.1 -65.0 -43.1 69.4 40.1 64.3 67 72 A E H > S+ 0 0 71 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.828 113.1 50.0 -68.6 -29.6 69.1 42.2 67.5 68 73 A I H X S+ 0 0 6 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.898 107.3 54.2 -74.0 -40.8 67.6 39.2 69.3 69 74 A D H X S+ 0 0 74 -4,-2.8 4,-1.5 1,-0.2 3,-0.2 0.909 107.7 50.1 -57.9 -45.2 70.4 36.9 68.1 70 75 A A H X S+ 0 0 54 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.797 103.7 59.4 -65.3 -30.5 73.1 39.2 69.5 71 76 A A H X S+ 0 0 7 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.887 103.9 51.9 -66.4 -37.4 71.3 39.3 72.9 72 77 A F H >< S+ 0 0 46 -4,-1.5 3,-0.6 -3,-0.2 -2,-0.2 0.927 107.8 51.5 -63.2 -45.1 71.7 35.5 73.1 73 78 A D H 3< S+ 0 0 133 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.942 107.8 51.5 -56.7 -51.4 75.4 35.7 72.4 74 79 A A H 3< S+ 0 0 81 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.698 92.3 97.0 -60.6 -22.8 76.0 38.3 75.1 75 80 A A S << S- 0 0 16 -4,-1.0 5,-0.0 -3,-0.6 -3,-0.0 -0.501 83.4-109.5 -77.6 135.7 74.2 36.2 77.8 76 81 A P >> - 0 0 77 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.319 27.4-122.9 -59.2 140.0 76.1 34.0 80.2 77 82 A A H 3> S+ 0 0 78 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.879 111.5 52.7 -53.6 -42.5 75.6 30.3 79.4 78 83 A S H 3> S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.787 107.6 52.4 -68.1 -23.5 74.3 29.6 82.9 79 84 A T H <> S+ 0 0 43 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.924 110.5 46.1 -77.0 -42.5 71.7 32.4 82.6 80 85 A V H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.907 114.9 48.6 -64.4 -40.6 70.4 31.1 79.2 81 86 A E H X S+ 0 0 110 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.872 109.7 50.6 -67.3 -39.6 70.2 27.6 80.7 82 87 A A H X S+ 0 0 56 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.919 111.2 49.7 -63.5 -43.3 68.4 28.7 83.9 83 88 A L H X S+ 0 0 20 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.882 110.2 50.9 -64.0 -36.8 65.9 30.6 81.7 84 89 A K H X S+ 0 0 71 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.916 108.5 50.9 -68.0 -41.3 65.4 27.4 79.6 85 90 A L H X S+ 0 0 95 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.941 112.9 46.6 -60.1 -44.3 64.8 25.3 82.7 86 91 A A H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.948 111.1 51.6 -62.5 -47.1 62.2 27.9 83.9 87 92 A R H X S+ 0 0 56 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.938 111.8 47.2 -53.8 -49.3 60.6 28.0 80.4 88 93 A D H X S+ 0 0 70 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.901 113.2 46.9 -60.9 -42.7 60.3 24.2 80.4 89 94 A R H X S+ 0 0 115 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.901 113.4 48.5 -68.1 -38.4 58.9 23.9 83.9 90 95 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.914 112.4 49.6 -66.5 -43.5 56.3 26.7 83.3 91 96 A E H X S+ 0 0 55 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.925 110.3 48.7 -61.6 -47.1 55.2 25.1 80.0 92 97 A K H X S+ 0 0 147 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.938 114.1 46.6 -60.8 -46.7 54.7 21.6 81.4 93 98 A H H < S+ 0 0 65 -4,-2.0 3,-0.5 1,-0.2 4,-0.4 0.933 114.0 46.2 -63.0 -46.5 52.7 22.9 84.3 94 99 A H H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.2 4,-0.3 0.866 102.8 64.6 -66.2 -33.6 50.5 25.2 82.2 95 100 A A H >< S+ 0 0 43 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.877 95.4 60.4 -54.5 -39.0 49.9 22.4 79.6 96 101 A R T 3< S+ 0 0 219 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.729 99.1 57.4 -62.6 -20.9 48.1 20.5 82.4 97 102 A Q T < S+ 0 0 86 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.465 72.4 130.1 -93.3 1.7 45.6 23.2 82.7 98 103 A L < - 0 0 65 -3,-1.6 2,-0.1 -4,-0.3 -3,-0.0 -0.258 62.1-115.4 -55.8 133.9 44.4 23.3 79.1 99 104 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 17,-0.1 -0.391 20.0-136.7 -73.8 151.3 40.6 23.1 79.0 100 105 A K - 0 0 171 -2,-0.1 2,-0.0 15,-0.1 0, 0.0 -0.896 20.6-119.5-107.4 137.2 38.7 20.2 77.6 101 106 A D - 0 0 91 -2,-0.4 2,-0.3 15,-0.1 14,-0.2 -0.333 23.0-150.9 -69.5 159.8 35.6 20.8 75.3 102 107 A D E +K 114 0C 90 12,-2.9 12,-1.0 2,-0.0 2,-0.5 -0.835 20.7 168.2-141.0 100.7 32.3 19.3 76.5 103 108 A R E +K 113 0C 184 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.943 18.1 147.6-113.7 127.9 29.6 18.3 74.0 104 109 A Y E -K 112 0C 120 8,-3.0 8,-2.6 -2,-0.5 2,-0.4 -0.943 41.6-122.2-153.0 172.9 26.6 16.2 75.2 105 110 A T E -K 111 0C 85 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.982 27.5-146.6-124.0 127.9 22.9 15.4 74.9 106 111 A D > - 0 0 55 4,-2.4 3,-1.7 -2,-0.4 0, 0.0 -0.255 37.7 -85.0 -86.8-178.8 20.5 15.8 77.7 107 112 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.724 128.9 50.8 -56.1 -29.7 17.4 13.8 78.6 108 113 A L T 3 S- 0 0 86 2,-0.1 -1,-0.3 287,-0.0 290,-0.1 0.534 120.7-107.9 -85.9 -9.5 15.2 15.8 76.3 109 114 A G < + 0 0 24 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.567 67.9 149.7 94.2 8.2 17.6 15.3 73.5 110 115 A V - 0 0 4 281,-0.1 -4,-2.4 285,-0.1 2,-0.6 -0.597 43.7-134.8 -75.2 136.1 19.0 18.9 73.4 111 116 A E E -KL 105 390C 85 279,-2.2 279,-1.9 -2,-0.3 2,-0.4 -0.857 26.9-177.2 -97.3 119.7 22.6 19.0 72.3 112 117 A L E -KL 104 389C 46 -8,-2.6 -8,-3.0 -2,-0.6 2,-0.3 -0.942 3.0-178.9-118.2 139.1 24.6 21.3 74.5 113 118 A G E -KL 103 388C 10 275,-2.3 275,-2.2 -2,-0.4 2,-0.4 -0.968 23.0-162.7-143.3 154.9 28.3 22.1 74.0 114 119 A S E -KL 102 387C 14 -12,-1.0 -12,-2.9 -2,-0.3 2,-0.4 -0.981 21.5-180.0-135.5 118.2 31.2 24.0 75.5 115 120 A R E - L 0 386C 93 271,-2.5 271,-3.1 -2,-0.4 2,-0.4 -0.978 13.0-149.9-126.9 141.2 34.2 24.6 73.2 116 121 A W E + L 0 385C 49 -2,-0.4 2,-0.3 269,-0.2 269,-0.2 -0.873 14.9 175.6-113.3 138.3 37.4 26.4 73.8 117 122 A T E - L 0 384C 44 267,-2.3 267,-2.5 -2,-0.4 2,-0.2 -0.953 32.7-106.8-135.4 155.2 39.6 28.3 71.3 118 123 A A E - L 0 383C 20 -2,-0.3 265,-0.3 265,-0.2 2,-0.2 -0.501 38.6-105.2 -79.0 150.0 42.8 30.4 71.7 119 124 A I - 0 0 20 263,-2.8 31,-0.5 -2,-0.2 32,-0.2 -0.554 32.4-130.6 -70.5 140.4 42.6 34.1 71.5 120 125 A E S S+ 0 0 139 1,-0.2 31,-2.0 -2,-0.2 2,-0.4 0.877 80.2 8.8 -66.9 -39.3 44.1 35.0 68.1 121 126 A A E -g 151 0B 10 29,-0.2 81,-2.5 28,-0.1 82,-0.8 -0.995 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354 A Y T 3 S+ 0 0 199 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.249 89.2 80.1 -97.6 13.9 61.7 24.8 101.9 350 355 A T < - 0 0 50 -3,-1.0 -1,-0.2 -5,-0.1 2,-0.1 -0.622 59.3-178.4-118.5 71.8 59.3 26.6 99.6 351 356 A P >> - 0 0 37 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.462 37.9-121.0 -67.0 146.2 60.3 30.3 99.5 352 357 A E H >> S+ 0 0 8 1,-0.3 3,-1.8 2,-0.2 4,-1.3 0.851 108.5 74.9 -56.0 -33.6 57.9 32.2 97.4 353 358 A V H 3> S+ 0 0 52 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.813 86.6 62.0 -48.1 -34.9 60.9 33.2 95.2 354 359 A I H <>>S+ 0 0 74 -3,-1.8 5,-2.0 1,-0.2 4,-1.9 0.874 102.6 50.5 -62.2 -34.4 60.9 29.7 93.8 355 360 A G H <<5S+ 0 0 4 -3,-1.8 5,-0.3 -4,-0.5 -1,-0.2 0.802 102.1 59.7 -73.2 -31.1 57.5 30.3 92.4 356 361 A D H <5S+ 0 0 18 -4,-1.3 7,-0.2 -3,-0.1 -1,-0.2 0.842 125.4 15.0 -62.7 -31.4 58.5 33.6 90.8 357 362 A Y H <5S- 0 0 117 -4,-1.2 -2,-0.2 -3,-0.2 -3,-0.1 0.880 132.1 -0.5-111.4 -59.2 61.0 31.5 88.8 358 363 A V T <5S+ 0 0 44 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.460 90.0 94.6-127.0 0.3 61.0 27.8 88.4 359 364 A G S + 0 0 18 -2,-0.2 3,-1.7 1,-0.2 -135,-0.2 -0.668 51.5 35.8-116.0 170.1 47.5 41.9 94.0 368 373 A A T 3 S- 0 0 44 -137,-1.0 -1,-0.2 1,-0.3 -47,-0.1 0.922 133.9 -49.9 52.7 51.6 46.0 44.5 96.4 369 374 A R T > S+ 0 0 36 -49,-0.4 3,-1.8 -50,-0.3 -1,-0.3 0.493 105.7 126.7 68.7 4.3 43.3 42.1 97.8 370 375 A S G X> + 0 0 6 -3,-1.7 3,-2.2 1,-0.3 4,-2.2 0.654 52.5 82.5 -68.3 -10.7 42.3 41.1 94.2 371 376 A A G 34 S+ 0 0 11 -51,-0.7 -30,-0.4 1,-0.3 -1,-0.3 0.611 75.1 75.1 -65.9 -9.0 42.7 37.5 95.3 372 377 A R G <4 S+ 0 0 146 -3,-1.8 -1,-0.3 -52,-0.2 -2,-0.2 0.724 119.8 7.8 -73.0 -18.6 39.2 37.8 96.7 373 378 A F T <4 S+ 0 0 127 -3,-2.2 2,-0.3 -4,-0.2 -2,-0.2 0.482 120.1 58.2-141.6 -4.9 38.0 37.7 93.1 374 379 A S < - 0 0 30 -4,-2.2 2,-0.2 -8,-0.0 -1,-0.1 -0.881 57.5-138.5-132.2 166.4 40.7 36.8 90.6 375 380 A S - 0 0 103 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.706 34.1 -95.3-113.8 165.9 43.2 34.1 89.9 376 381 A G - 0 0 14 -34,-0.3 -11,-0.2 -2,-0.2 -1,-0.1 -0.294 65.2 -67.0 -73.1 168.0 46.8 34.4 88.7 377 382 A L + 0 0 13 -13,-2.6 -15,-0.3 3,-0.1 2,-0.3 -0.269 65.4 162.9 -57.0 137.8 47.5 34.2 85.0 378 383 A S > - 0 0 18 -3,-0.1 3,-2.3 -17,-0.1 4,-0.4 -0.931 57.1 -89.1-147.9 170.7 46.7 30.8 83.4 379 384 A V G > S+ 0 0 0 1,-0.3 3,-1.9 -2,-0.3 -281,-0.1 0.821 121.3 69.7 -55.1 -27.6 46.2 29.4 79.9 380 385 A L G > S+ 0 0 78 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.792 88.4 62.9 -62.2 -25.4 42.5 30.2 80.4 381 386 A D G < S+ 0 0 47 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.667 104.7 47.4 -72.7 -13.7 43.3 33.9 80.2 382 387 A Y G < S+ 0 0 0 -3,-1.9 -263,-2.8 -4,-0.4 2,-0.3 0.134 111.9 55.3-110.6 16.7 44.5 33.4 76.7 383 388 A M E < -L 118 0C 27 -3,-1.2 2,-0.3 -265,-0.3 -265,-0.2 -0.873 64.6-149.4-141.4 169.6 41.5 31.4 75.5 384 389 A K E -L 117 0C 91 -267,-2.5 -267,-2.3 -2,-0.3 2,-0.4 -0.992 13.8-125.3-147.0 153.2 37.7 31.7 75.4 385 390 A R E -L 116 0C 145 -2,-0.3 2,-0.4 -269,-0.2 -269,-0.2 -0.775 15.0-160.7-100.9 139.7 34.6 29.4 75.6 386 391 A T E -L 115 0C 44 -271,-3.1 -271,-2.5 -2,-0.4 2,-0.3 -0.971 15.9-135.7-118.0 134.8 31.9 29.3 73.0 387 392 A S E -L 114 0C 99 -2,-0.4 2,-0.4 -273,-0.2 -273,-0.2 -0.687 17.3-159.6 -88.3 145.3 28.5 27.8 73.9 388 393 A L E +L 113 0C 43 -275,-2.2 -275,-2.3 -2,-0.3 2,-0.4 -0.973 12.3 175.6-126.6 138.0 26.9 25.4 71.4 389 394 A L E +L 112 0C 119 -2,-0.4 2,-0.4 -277,-0.2 -277,-0.2 -0.994 6.3 178.1-144.7 135.9 23.2 24.6 71.3 390 395 A K E -L 111 0C 133 -279,-1.9 -279,-2.2 -2,-0.4 2,-0.4 -0.966 4.4-174.2-142.5 121.4 21.1 22.5 68.9 391 396 A L - 0 0 62 -2,-0.4 2,-0.2 -281,-0.2 -281,-0.1 -0.928 10.0-153.3-113.8 141.6 17.4 21.8 69.1 392 397 A G > - 0 0 32 -2,-0.4 4,-2.3 -283,-0.1 5,-0.2 -0.485 43.5 -88.9 -98.5 178.1 15.5 19.5 66.9 393 398 A S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.882 128.4 52.3 -57.2 -40.5 11.7 19.9 66.2 394 399 A E H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 109.6 49.0 -62.7 -42.3 10.8 17.7 69.2 395 400 A Q H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.926 111.2 48.1 -65.3 -42.9 13.0 19.8 71.5 396 401 A L H X S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.889 110.5 53.0 -64.6 -36.9 11.6 23.1 70.4 397 402 A R H < S+ 0 0 56 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.892 113.9 44.5 -64.1 -36.4 8.1 21.7 70.8 398 403 A A H < S+ 0 0 61 -4,-1.9 4,-0.2 -5,-0.2 -2,-0.2 0.864 127.4 24.5 -77.1 -38.5 9.1 20.7 74.4 399 404 A L H X S+ 0 0 71 -4,-2.7 4,-1.8 -5,-0.1 -3,-0.2 0.598 102.8 82.3-103.5 -14.9 10.9 24.0 75.5 400 405 A G H X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.901 85.5 55.1 -59.0 -47.6 9.3 26.5 73.2 401 406 A P H > S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.920 109.4 48.5 -54.5 -45.0 6.1 27.2 75.1 402 407 A A H > S+ 0 0 59 -4,-0.2 4,-2.1 2,-0.2 5,-0.2 0.928 111.7 49.9 -61.5 -43.9 8.1 28.0 78.3 403 408 A A H X S+ 0 0 44 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.960 111.3 48.4 -58.0 -52.1 10.3 30.4 76.2 404 409 A I H X S+ 0 0 19 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.890 108.6 54.8 -55.0 -43.5 7.3 32.1 74.7 405 410 A E H X S+ 0 0 140 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.923 111.7 42.5 -58.4 -48.0 5.7 32.5 78.1 406 411 A I H X S+ 0 0 98 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.939 112.6 53.9 -66.0 -45.6 8.7 34.3 79.6 407 412 A A H <>S+ 0 0 10 -4,-2.8 5,-2.5 1,-0.2 3,-0.4 0.933 111.2 45.5 -54.7 -49.2 9.2 36.4 76.4 408 413 A R H ><5S+ 0 0 138 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.918 109.4 54.1 -62.8 -40.9 5.6 37.7 76.6 409 414 A A H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 110.4 49.4 -63.8 -22.4 5.9 38.3 80.3 410 415 A E T 3<5S- 0 0 130 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.445 115.8-118.1 -92.8 -0.7 8.9 40.4 79.4 411 416 A G T < 5S+ 0 0 52 -3,-1.7 2,-1.1 -4,-0.3 -3,-0.2 0.673 71.3 136.0 73.6 17.0 7.0 42.3 76.7 412 417 A L >< + 0 0 68 -5,-2.5 4,-2.0 -6,-0.2 5,-0.2 -0.638 20.1 166.6 -98.7 77.0 9.4 41.0 74.0 413 418 A D H > S+ 0 0 108 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.822 73.9 55.5 -61.8 -33.9 6.9 40.0 71.3 414 419 A A H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.1 51.0 -66.0 -38.5 9.5 39.6 68.5 415 420 A H H > S+ 0 0 116 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.929 111.4 46.7 -61.8 -46.6 11.3 37.1 70.8 416 421 A A H >X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 3,-0.6 0.888 110.3 54.6 -63.1 -38.6 8.1 35.2 71.4 417 422 A Q H 3X S+ 0 0 88 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.813 97.1 61.9 -68.0 -31.7 7.3 35.2 67.7 418 423 A S H 3< S+ 0 0 59 -4,-1.7 -1,-0.2 -3,-0.2 4,-0.2 0.820 116.5 33.9 -65.8 -26.3 10.6 33.7 66.6 419 424 A V H XX S+ 0 0 24 -4,-0.8 4,-2.3 -3,-0.6 3,-1.2 0.893 118.4 51.5 -88.2 -50.3 9.6 30.6 68.6 420 425 A A H 3X S+ 0 0 4 -4,-3.3 4,-3.2 1,-0.3 5,-0.3 0.876 102.1 60.2 -53.6 -43.6 5.9 30.8 68.0 421 426 A I H 3X S+ 0 0 109 -4,-3.0 4,-0.7 1,-0.2 -1,-0.3 0.795 111.5 41.6 -58.2 -28.5 6.3 31.1 64.2 422 427 A R H <> S+ 0 0 145 -3,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.894 115.5 48.4 -84.4 -44.8 8.1 27.7 64.3 423 428 A L H X S+ 0 0 18 -4,-2.3 4,-3.7 1,-0.2 5,-0.2 0.856 102.6 62.1 -64.1 -39.1 5.7 26.0 66.7 424 429 A N H < S+ 0 0 97 -4,-3.2 4,-0.4 1,-0.2 -1,-0.2 0.930 112.4 37.5 -53.6 -47.7 2.5 27.1 64.9 425 430 A L H >< S+ 0 0 120 -4,-0.7 3,-1.0 -5,-0.3 -2,-0.2 0.944 119.3 48.8 -67.4 -49.5 3.6 25.1 61.9 426 431 A L H >< S+ 0 0 31 -4,-2.4 3,-2.4 1,-0.2 4,-0.2 0.878 96.4 70.1 -58.0 -46.0 5.1 22.3 64.0 427 432 A E G >< S+ 0 0 60 -4,-3.7 3,-2.0 1,-0.3 -1,-0.2 0.710 81.8 74.2 -47.7 -28.0 2.0 21.8 66.3 428 433 A H G < S+ 0 0 121 -3,-1.0 -1,-0.3 -4,-0.4 3,-0.2 0.547 96.2 50.7 -68.9 -3.2 -0.0 20.4 63.4 429 434 A H G < S+ 0 0 127 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.385 105.2 58.6-109.7 -2.2 2.0 17.2 63.8 430 435 A H X + 0 0 10 -3,-2.0 3,-0.6 -4,-0.2 -2,-0.1 -0.184 60.3 118.0-121.4 41.5 1.4 17.0 67.5 431 436 A H T 3 + 0 0 132 -3,-0.2 -1,-0.1 1,-0.2 -3,-0.1 0.413 66.1 70.2 -87.3 3.2 -2.4 16.8 67.9 432 437 A H T 3 0 0 148 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.601 360.0 360.0 -91.8 -14.0 -2.3 13.4 69.5 433 438 A H < 0 0 121 -3,-0.6 -2,-0.2 0, 0.0 -1,-0.1 0.271 360.0 360.0-149.8 360.0 -0.7 14.7 72.7