==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-AUG-10 3ALK . COMPND 2 MOLECULE: 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC ACID OXYG . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR J.KOBAYASHI,H.YOSHIDA,Y.YOSHIKANE,S.KAMITORI,T.YAGI . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 16.5 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 1 1 1 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 2 2 1 2 1 0 2 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 2 0 0 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 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 10 A K 0 0 260 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.4 -9.7 -15.5 -64.3 2 11 A T - 0 0 94 24,-0.0 2,-0.1 1,-0.0 24,-0.1 -0.758 360.0-126.4 -80.1 122.2 -11.0 -14.7 -60.8 3 12 A R - 0 0 82 -2,-0.6 24,-3.3 22,-0.2 2,-0.4 -0.424 23.2-142.5 -71.4 142.9 -9.3 -17.2 -58.4 4 13 A R E -a 27 0A 53 22,-0.2 137,-1.8 -2,-0.1 138,-1.3 -0.895 15.0-169.4-118.4 128.7 -11.7 -19.1 -56.2 5 14 A A E -ab 28 142A 0 22,-2.9 24,-2.4 -2,-0.4 2,-0.5 -0.973 7.8-162.5-120.1 137.6 -11.2 -20.0 -52.5 6 15 A E E -ab 29 143A 2 136,-2.2 138,-2.9 -2,-0.4 2,-0.5 -0.983 12.4-166.2-113.8 120.9 -13.3 -22.4 -50.4 7 16 A V E -ab 30 144A 0 22,-2.6 24,-3.3 -2,-0.5 2,-0.6 -0.931 6.7-155.2-109.5 125.9 -12.8 -22.0 -46.6 8 17 A A E +ab 31 145A 2 136,-3.4 138,-2.3 -2,-0.5 24,-0.2 -0.899 61.9 39.3-101.6 125.2 -14.1 -24.6 -44.2 9 18 A G - 0 0 10 22,-4.0 23,-0.2 -2,-0.6 138,-0.1 0.331 58.0-141.1 108.5 120.4 -14.7 -23.3 -40.7 10 19 A G + 0 0 2 4,-0.1 22,-0.1 28,-0.1 137,-0.1 0.028 65.3 112.2-100.0 28.8 -16.3 -20.1 -39.3 11 20 A G S > S- 0 0 34 135,-0.6 4,-2.6 1,-0.1 5,-0.3 -0.147 92.2 -77.8 -81.3-172.9 -13.9 -19.7 -36.4 12 21 A F H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.801 131.9 50.3 -57.9 -29.7 -11.4 -16.9 -36.1 13 22 A A H > S+ 0 0 10 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.935 111.4 46.5 -77.2 -46.7 -9.0 -18.6 -38.5 14 23 A G H > S+ 0 0 0 132,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.922 115.2 45.4 -57.8 -48.8 -11.6 -19.2 -41.2 15 24 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.883 112.6 51.4 -67.7 -37.5 -13.0 -15.7 -41.0 16 25 A T H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.3 5,-0.3 0.959 113.0 45.8 -63.3 -49.1 -9.5 -14.1 -41.0 17 26 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.916 113.1 49.3 -60.1 -47.7 -8.5 -16.2 -44.1 18 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.926 113.7 45.6 -58.4 -46.1 -11.7 -15.4 -45.9 19 28 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.955 114.4 47.1 -65.2 -51.1 -11.4 -11.7 -45.3 20 29 A A H X S+ 0 0 1 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.894 115.3 46.9 -60.0 -38.1 -7.7 -11.5 -46.2 21 30 A L H <>S+ 0 0 1 -4,-2.7 5,-2.3 -5,-0.3 3,-0.4 0.912 111.6 50.2 -68.8 -40.4 -8.3 -13.5 -49.4 22 31 A K H ><5S+ 0 0 60 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.909 105.4 57.8 -68.1 -38.4 -11.4 -11.4 -50.4 23 32 A Q H 3<5S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 103.6 52.4 -55.4 -36.5 -9.4 -8.2 -49.9 24 33 A N T 3<5S- 0 0 63 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.201 129.3 -96.4 -87.8 13.4 -6.8 -9.5 -52.5 25 34 A G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 1,-0.3 -22,-0.2 0.573 73.5 148.2 89.2 10.9 -9.7 -10.1 -55.0 26 35 A W < - 0 0 1 -5,-2.3 2,-0.8 -6,-0.1 -1,-0.3 -0.455 53.1-122.3 -68.6 148.5 -10.3 -13.8 -54.4 27 36 A D E -a 4 0A 50 -24,-3.3 -22,-2.9 -2,-0.1 2,-0.5 -0.850 44.2-165.1 -89.9 115.4 -13.8 -15.0 -54.9 28 37 A V E +a 5 0A 1 -2,-0.8 86,-2.2 -24,-0.2 2,-0.4 -0.908 25.4 179.7-120.8 131.7 -14.4 -16.5 -51.5 29 38 A R E -ac 6 114A 42 -24,-2.4 -22,-2.6 -2,-0.5 2,-0.4 -0.965 12.9-159.5-117.3 139.9 -17.0 -18.9 -50.0 30 39 A L E -ac 7 115A 0 84,-3.2 86,-2.7 -2,-0.4 2,-0.5 -0.965 2.1-155.6-125.6 131.8 -16.9 -20.0 -46.3 31 40 A H E -ac 8 116A 3 -24,-3.3 -22,-4.0 -2,-0.4 2,-0.5 -0.913 8.1-174.9-110.2 120.9 -18.6 -23.0 -44.9 32 41 A E - 0 0 27 84,-2.7 87,-2.4 -2,-0.5 86,-0.2 -0.976 14.6-156.2-110.3 125.3 -19.6 -23.3 -41.3 33 42 A K + 0 0 129 -2,-0.5 87,-0.2 85,-0.3 2,-0.1 0.749 69.3 89.7 -72.0 -27.0 -21.1 -26.7 -40.2 34 43 A S S S- 0 0 58 85,-0.2 84,-2.1 1,-0.1 85,-0.3 -0.411 90.0-115.0 -70.5 150.0 -23.0 -25.2 -37.2 35 44 A S S S+ 0 0 76 82,-0.2 2,-0.3 83,-0.1 82,-0.1 0.586 96.6 16.3 -65.7 -10.4 -26.5 -24.0 -37.8 36 45 A E S S- 0 0 101 80,-0.1 2,-0.6 2,-0.1 -2,-0.1 -0.978 88.9 -93.4-158.2 157.0 -25.4 -20.4 -37.0 37 46 A L + 0 0 32 -2,-0.3 2,-0.3 80,-0.0 -26,-0.0 -0.721 61.6 142.2 -77.5 116.5 -22.3 -18.3 -36.7 38 47 A R - 0 0 138 -2,-0.6 2,-0.5 -28,-0.1 -4,-0.1 -0.990 40.1-142.2-154.3 155.0 -21.1 -18.2 -33.1 39 48 A A - 0 0 14 -2,-0.3 2,-0.2 -28,-0.1 3,-0.2 -0.984 19.2-159.3-123.3 131.2 -17.9 -18.3 -31.0 40 49 A F + 0 0 127 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.655 57.4 76.0-105.5 164.8 -17.6 -20.2 -27.8 41 50 A G S S- 0 0 6 -2,-0.2 2,-2.6 131,-0.2 -1,-0.1 0.468 84.5-118.1 112.8 13.7 -15.2 -19.8 -24.9 42 51 A A S S+ 0 0 25 -3,-0.2 55,-2.6 130,-0.1 56,-0.4 -0.295 81.7 13.7 58.5 -72.8 -16.7 -16.7 -23.2 43 52 A G E -F 96 0B 0 -2,-2.6 2,-0.3 53,-0.3 53,-0.3 -0.734 60.3-160.1-130.7 179.9 -13.7 -14.3 -23.5 44 53 A I E -F 95 0B 11 51,-2.4 51,-2.0 -2,-0.2 2,-0.4 -0.954 12.8-140.5-166.4 140.3 -10.3 -13.9 -25.3 45 54 A Y E -F 94 0B 15 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.885 20.5-175.0-100.7 132.3 -6.9 -12.1 -25.1 46 55 A L E -F 93 0B 1 47,-2.5 47,-2.4 -2,-0.4 2,-0.2 -0.908 5.8-160.6-121.1 154.7 -5.2 -10.7 -28.3 47 56 A W E > -F 92 0B 4 -2,-0.3 4,-3.4 45,-0.3 3,-0.3 -0.567 44.5 -69.2-120.2-173.5 -1.8 -9.1 -28.5 48 57 A H H > S+ 0 0 9 43,-1.4 4,-2.4 1,-0.2 5,-0.2 0.864 130.0 51.2 -44.4 -50.0 0.1 -6.9 -30.9 49 58 A N H > S+ 0 0 2 308,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.908 114.3 42.9 -62.1 -44.0 0.4 -9.7 -33.5 50 59 A G H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.900 113.2 52.1 -67.7 -41.6 -3.4 -10.4 -33.4 51 60 A L H X S+ 0 0 16 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.859 107.0 52.5 -65.0 -36.2 -4.3 -6.7 -33.4 52 61 A R H X S+ 0 0 56 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.829 106.8 53.4 -65.6 -37.5 -2.1 -6.0 -36.5 53 62 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.941 108.5 50.0 -59.6 -44.3 -3.9 -8.9 -38.3 54 63 A L H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 6,-1.0 0.883 110.9 50.9 -60.9 -39.2 -7.2 -7.1 -37.4 55 64 A E H ><5S+ 0 0 93 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.963 109.4 47.3 -59.6 -58.8 -5.7 -3.9 -38.8 56 65 A G H 3<5S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 112.7 53.6 -51.1 -31.8 -4.7 -5.6 -42.1 57 66 A L T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.521 110.8-121.1 -80.8 -11.7 -8.2 -7.0 -42.1 58 67 A G T < 5S+ 0 0 41 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.816 89.8 97.5 74.7 33.8 -10.0 -3.6 -41.7 59 68 A A >< + 0 0 1 -5,-2.7 4,-1.2 -6,-0.1 -4,-0.2 0.327 42.9 100.4-134.9 1.8 -11.7 -4.7 -38.5 60 69 A L H > S+ 0 0 32 -6,-1.0 4,-2.8 1,-0.2 3,-0.3 0.895 78.1 58.3 -58.4 -42.4 -9.5 -3.4 -35.8 61 70 A D H > S+ 0 0 131 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.932 105.9 47.1 -60.1 -47.1 -11.8 -0.4 -35.1 62 71 A D H 4 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.789 113.7 51.1 -64.7 -29.9 -14.8 -2.4 -34.3 63 72 A V H < S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.935 109.1 47.4 -71.3 -46.4 -12.7 -4.6 -32.1 64 73 A L H >< S+ 0 0 59 -4,-2.8 3,-1.8 2,-0.1 2,-0.3 0.889 97.0 80.0 -67.5 -41.2 -11.1 -1.7 -30.1 65 74 A Q T 3< S+ 0 0 156 -4,-2.3 3,-0.1 1,-0.3 0, 0.0 -0.566 109.6 11.0 -63.9 124.5 -14.5 -0.1 -29.5 66 75 A G T 3 S+ 0 0 35 -2,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.598 110.6 97.3 80.8 11.4 -16.0 -2.0 -26.7 67 76 A S < - 0 0 13 -3,-1.8 2,-0.4 28,-0.1 -1,-0.3 -0.623 62.3-129.6-119.6-169.9 -12.9 -4.0 -25.7 68 77 A H B -G 94 0B 29 26,-2.2 26,-3.4 -2,-0.2 141,-0.1 -0.993 14.9-160.2-148.3 133.6 -10.4 -3.3 -22.9 69 78 A T - 0 0 56 -2,-0.4 24,-0.1 24,-0.2 139,-0.1 -0.956 33.7-134.9-108.3 112.5 -6.6 -3.0 -22.3 70 79 A P - 0 0 3 0, 0.0 119,-0.2 0, 0.0 3,-0.1 -0.257 15.8-120.1 -59.7 153.0 -6.1 -3.5 -18.5 71 80 A P S S- 0 0 82 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.827 93.5 -0.9 -61.1 -32.4 -3.6 -1.0 -16.8 72 81 A T - 0 0 12 116,-0.1 118,-2.1 2,-0.0 2,-0.7 -0.995 63.7-123.1-155.5 156.5 -1.6 -4.0 -15.9 73 82 A Y E -Hi 85 190C 10 12,-2.3 12,-2.5 -2,-0.3 2,-0.4 -0.918 43.2-171.0-100.7 107.5 -1.3 -7.8 -16.1 74 83 A E E -Hi 84 191C 8 116,-3.0 118,-2.6 -2,-0.7 2,-0.4 -0.819 14.2-156.4-109.1 146.3 -1.1 -8.9 -12.5 75 84 A T E -Hi 83 192C 3 8,-2.4 7,-2.3 -2,-0.4 8,-1.2 -0.968 6.9-165.9-121.8 135.7 -0.3 -12.2 -10.9 76 85 A W E -Hi 81 193C 37 116,-3.3 118,-2.5 -2,-0.4 2,-0.5 -0.930 7.7-167.8-116.3 146.1 -1.2 -13.5 -7.5 77 86 A M E > S-Hi 80 194C 34 3,-2.6 3,-1.7 -2,-0.4 118,-0.2 -0.989 84.2 -16.2-129.6 118.9 -0.0 -16.4 -5.5 78 87 A H T 3 S- 0 0 75 116,-1.9 117,-0.1 -2,-0.5 -1,-0.1 0.856 129.9 -54.3 53.5 41.8 -2.0 -17.3 -2.4 79 88 A N T 3 S+ 0 0 85 115,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.589 113.8 120.8 69.3 13.6 -3.6 -13.8 -2.6 80 89 A K E < -H 77 0C 144 -3,-1.7 -3,-2.6 2,-0.0 2,-0.4 -0.938 67.9-124.6-110.6 124.1 -0.2 -12.1 -2.6 81 90 A S E +H 76 0C 39 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.539 34.2 171.5 -63.4 117.5 0.6 -10.0 -5.6 82 91 A V E + 0 0 60 -7,-2.3 2,-0.3 -2,-0.4 -1,-0.2 0.527 60.0 6.9-107.4 -15.8 3.9 -11.4 -7.0 83 92 A S E -H 75 0C 9 -8,-1.2 -8,-2.4 263,-0.1 2,-0.4 -0.952 43.7-161.4-163.9 154.6 4.1 -9.4 -10.2 84 93 A K E -H 74 0C 103 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.981 23.4-174.0-135.5 123.0 2.7 -6.6 -12.4 85 94 A E E +H 73 0C 20 -12,-2.5 -12,-2.3 -2,-0.4 -2,-0.0 -0.971 24.4 169.3-127.9 134.6 3.7 -6.6 -16.1 86 95 A T > - 0 0 80 -2,-0.4 3,-1.3 -14,-0.2 4,-0.3 0.244 45.2-128.9-124.4 -0.5 3.0 -4.1 -18.9 87 96 A F G > - 0 0 9 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.792 57.0 -72.0 62.3 31.0 5.4 -5.6 -21.5 88 97 A N G 3 S- 0 0 104 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.884 98.9 -48.5 48.6 44.5 7.2 -2.3 -22.3 89 98 A G G < S+ 0 0 44 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.462 87.5 159.1 78.1 7.2 4.1 -0.9 -24.1 90 99 A L < - 0 0 3 -3,-1.8 -1,-0.2 -4,-0.3 268,-0.1 -0.406 47.3-110.9 -59.2 125.8 3.4 -4.0 -26.3 91 100 A P + 0 0 48 0, 0.0 -43,-1.4 0, 0.0 2,-0.3 -0.344 48.2 160.1 -64.6 136.5 -0.3 -3.7 -27.4 92 101 A W E -F 47 0B 14 -45,-0.3 2,-0.3 -44,-0.1 -45,-0.3 -0.958 14.9-167.7-148.0 169.1 -2.8 -6.1 -26.0 93 102 A R E -F 46 0B 52 -47,-2.4 -47,-2.5 -2,-0.3 2,-0.4 -0.988 12.7-147.8-162.2 139.9 -6.5 -6.4 -25.5 94 103 A I E +FG 45 68B 0 -26,-3.4 -26,-2.2 -2,-0.3 2,-0.3 -0.943 31.2 148.7-114.9 146.1 -9.2 -8.4 -23.7 95 104 A M E -F 44 0B 0 -51,-2.0 -51,-2.4 -2,-0.4 2,-0.1 -0.973 47.5 -85.0-163.4 166.7 -12.7 -8.9 -25.1 96 105 A T E > -F 43 0B 10 -2,-0.3 4,-1.5 -53,-0.3 -53,-0.3 -0.472 38.7-119.9 -76.9 152.5 -15.6 -11.3 -25.3 97 106 A R H > S+ 0 0 58 -55,-2.6 4,-2.8 1,-0.2 -54,-0.1 0.899 114.4 52.9 -55.2 -46.8 -15.5 -14.0 -27.9 98 107 A S H > S+ 0 0 48 -56,-0.4 4,-3.2 1,-0.2 5,-0.2 0.865 104.5 56.5 -57.9 -40.8 -18.7 -12.7 -29.5 99 108 A H H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.893 112.1 39.8 -59.6 -40.9 -17.3 -9.3 -29.8 100 109 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.927 116.5 53.3 -78.5 -36.6 -14.3 -10.5 -31.8 101 110 A H H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.915 107.9 47.6 -60.4 -47.9 -16.5 -12.8 -33.7 102 111 A D H X S+ 0 0 84 -4,-3.2 4,-3.7 2,-0.2 5,-0.3 0.907 107.9 56.5 -61.7 -44.7 -19.1 -10.1 -34.8 103 112 A A H X S+ 0 0 5 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.948 112.9 41.2 -51.9 -50.9 -16.3 -7.8 -35.9 104 113 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.909 115.5 48.2 -65.1 -47.5 -15.0 -10.4 -38.2 105 114 A V H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.942 112.7 50.4 -57.1 -47.4 -18.4 -11.6 -39.5 106 115 A N H X S+ 0 0 90 -4,-3.7 4,-2.1 1,-0.2 -1,-0.2 0.830 112.9 45.4 -63.4 -34.6 -19.4 -8.0 -40.1 107 116 A R H X S+ 0 0 67 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.920 111.8 52.2 -73.4 -47.0 -16.2 -7.3 -42.0 108 117 A A H <>S+ 0 0 0 -4,-3.1 5,-2.4 1,-0.2 4,-0.5 0.907 112.7 44.5 -55.3 -44.9 -16.5 -10.4 -44.0 109 118 A R H ><5S+ 0 0 142 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.925 108.5 57.4 -67.4 -40.5 -20.1 -9.7 -45.0 110 119 A A H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.6 47.5 -59.9 -29.3 -19.2 -6.0 -45.8 111 120 A L T 3<5S- 0 0 47 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.529 119.9-110.7 -84.1 -9.1 -16.6 -7.3 -48.3 112 121 A G T < 5 + 0 0 36 -3,-1.5 2,-0.3 -4,-0.5 -3,-0.2 0.791 54.5 165.0 81.5 28.1 -19.1 -9.8 -49.9 113 122 A V < - 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0 0 53 -2,-0.2 4,-2.2 1,-0.1 -1,-0.2 -0.344 43.9-112.8 -58.3 156.1 1.4 -21.5 -58.3 312 321 A V H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 117.1 57.5 -59.4 -43.8 -0.9 -22.0 -55.3 313 322 A E H > S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.880 110.9 40.7 -56.6 -41.8 1.0 -25.2 -54.5 314 323 A D H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.840 112.0 56.4 -77.5 -35.6 4.4 -23.5 -54.3 315 324 A A H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.937 106.3 50.7 -59.8 -41.1 2.9 -20.5 -52.4 316 325 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.882 110.9 48.4 -65.6 -37.5 1.5 -22.9 -49.7 317 326 A V H X S+ 0 0 78 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.917 112.0 48.3 -66.0 -45.5 4.9 -24.5 -49.3 318 327 A A H X S+ 0 0 47 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.792 109.8 57.2 -62.4 -30.0 6.7 -21.1 -49.0 319 328 A W H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.4 0.982 108.3 41.4 -69.1 -57.0 4.0 -20.1 -46.5 320 329 A E H X S+ 0 0 28 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.924 114.8 52.4 -51.1 -52.5 4.5 -22.9 -44.0 321 330 A T H < S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 116.2 40.6 -57.1 -40.3 8.3 -22.6 -44.3 322 331 A R H < S+ 0 0 70 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.931 129.2 23.2 -70.2 -51.5 8.2 -18.8 -43.7 323 332 A I H >X S+ 0 0 1 -4,-2.8 3,-1.1 -5,-0.2 4,-0.9 0.804 101.3 77.3 -95.6 -33.6 5.5 -18.6 -40.9 324 333 A R H >X S+ 0 0 22 -4,-2.3 4,-2.5 -5,-0.4 3,-0.6 0.847 81.6 66.7 -53.6 -42.9 5.4 -22.0 -39.1 325 334 A P H 3> S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.845 99.0 55.4 -52.0 -32.5 8.5 -21.7 -36.9 326 335 A I H <> S+ 0 0 16 -3,-1.1 4,-2.3 -4,-0.2 -2,-0.2 0.935 111.4 43.6 -63.0 -45.8 6.9 -18.9 -34.9 327 336 A T H S+ 0 0 13 -4,-2.8 5,-1.8 2,-0.2 4,-0.9 0.919 112.6 48.4 -52.0 -47.5 4.7 -23.2 -19.2 338 347 A A H ><5S+ 0 0 42 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.968 114.2 44.9 -62.4 -53.0 1.4 -25.1 -18.7 339 348 A A H 3<5S+ 0 0 66 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.891 119.1 41.7 -58.7 -41.6 3.2 -28.3 -17.5 340 349 A N H 3<5S- 0 0 100 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.526 101.3-129.9 -81.9 -3.7 5.5 -26.4 -15.2 341 350 A R T X<5 + 0 0 136 -3,-1.0 3,-1.2 -4,-0.9 4,-0.3 0.859 49.6 162.1 51.8 39.8 2.8 -24.0 -13.9 342 351 A S G > < + 0 0 6 -5,-1.8 3,-1.5 1,-0.3 4,-0.3 0.771 60.2 62.6 -59.1 -34.0 5.4 -21.3 -14.8 343 352 A L G > S+ 0 0 10 -6,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.749 86.8 72.9 -65.9 -29.6 2.9 -18.5 -14.8 344 353 A S G < S+ 0 0 13 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.710 92.3 58.7 -57.0 -18.9 2.1 -19.0 -11.2 345 354 A K G < S- 0 0 132 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.703 101.0-142.7 -83.9 -21.4 5.6 -17.5 -10.5 346 355 A G S < S+ 0 0 5 -3,-1.4 -1,-0.1 -4,-0.3 -263,-0.1 0.060 76.0 66.5 73.4 170.2 4.8 -14.2 -12.2 347 356 A N + 0 0 100 1,-0.1 -4,-0.1 2,-0.1 -1,-0.1 0.720 66.2 127.8 51.3 28.0 7.2 -12.1 -14.3 348 357 A M + 0 0 35 -5,-0.2 2,-2.0 1,-0.2 5,-0.1 0.438 32.1 100.0 -96.3 0.6 7.1 -15.0 -16.8 349 358 A F + 0 0 15 4,-0.1 -1,-0.2 -6,-0.1 -262,-0.1 -0.513 60.0 167.9 -83.6 70.1 6.2 -12.8 -19.8 350 359 A T > - 0 0 51 -2,-2.0 4,-2.1 1,-0.1 5,-0.1 -0.181 53.8 -94.5 -74.6 168.1 9.9 -12.9 -20.9 351 360 A P T 4 S+ 0 0 74 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.880 128.5 49.2 -53.8 -38.3 11.2 -11.7 -24.3 352 361 A A T >4 S+ 0 0 59 2,-0.2 3,-1.1 1,-0.2 4,-0.3 0.884 108.2 51.6 -72.8 -41.8 11.0 -15.3 -25.5 353 362 A A T >4 S+ 0 0 5 1,-0.2 3,-0.5 -5,-0.1 4,-0.3 0.902 112.4 48.6 -58.8 -36.1 7.4 -15.9 -24.2 354 363 A L T 3X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.312 78.8 105.8 -89.0 9.4 6.3 -12.7 -26.1 355 364 A E H <> S+ 0 0 49 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.909 81.9 45.4 -55.9 -46.7 8.0 -13.6 -29.3 356 365 A A H X4 S+ 0 0 2 -3,-0.5 3,-0.6 -4,-0.3 -1,-0.2 0.931 114.3 48.6 -64.7 -45.2 4.7 -14.4 -31.1 357 366 A A H 34 S+ 0 0 1 -4,-0.3 -308,-0.9 1,-0.2 -1,-0.2 0.841 107.4 56.2 -61.2 -32.8 3.0 -11.3 -29.8 358 367 A R H 3< S+ 0 0 48 -4,-2.3 9,-2.8 -7,-0.2 -1,-0.2 0.724 84.4 104.6 -76.5 -24.7 6.0 -9.2 -30.9 359 368 A Y E << -P 366 0E 15 -4,-1.1 7,-0.2 -3,-0.6 -3,-0.0 -0.405 59.5-155.3 -58.0 125.8 5.7 -10.4 -34.5 360 369 A D E >> -P 365 0E 4 5,-3.4 4,-1.5 -2,-0.2 5,-1.1 -0.849 6.2-169.7-105.3 102.9 4.1 -7.9 -36.8 361 370 A P T 45S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -312,-0.1 0.769 82.1 58.8 -61.5 -29.8 2.5 -9.8 -39.8 362 371 A L T 45S+ 0 0 45 1,-0.2 -2,-0.0 -313,-0.1 -313,-0.0 0.941 121.9 22.3 -68.3 -47.2 1.9 -6.6 -41.8 363 372 A R T 45S- 0 0 162 -3,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.442 101.3-130.2 -99.4 -1.0 5.6 -5.5 -42.0 364 373 A R T <5S+ 0 0 101 -4,-1.5 2,-0.3 1,-0.2 -5,-0.1 0.867 70.9 103.7 52.1 41.6 7.0 -9.1 -41.3 365 374 A V E