==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-AUG-12 4B4U . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN FOLD; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII ATCC 19606; . AUTHOR T.C.EADSFORTH,F.V.MALUF,W.N.HUNTER . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 0 0.0 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 . 52 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 0 2 2 2 0 2 0 3 1 0 0 2 0 0 0 1 1 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 6 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 M 0 0 194 0, 0.0 248,-0.2 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 -28.0 -10.0 7.5 12.8 2 2 A A - 0 0 15 246,-1.7 2,-0.4 1,-0.1 251,-0.3 -0.172 360.0-117.3 -57.4 139.8 -7.4 6.7 15.5 3 3 A L E -a 253 0A 79 249,-2.7 251,-2.3 149,-0.0 2,-0.6 -0.672 28.9-129.9 -68.2 126.1 -4.2 8.8 15.8 4 4 A V E -a 254 0A 65 -2,-0.4 2,-1.2 249,-0.2 251,-0.2 -0.728 11.0-141.8 -79.8 119.1 -1.2 6.5 15.2 5 5 A L - 0 0 0 249,-3.2 2,-1.2 -2,-0.6 144,-0.1 -0.750 22.4-154.5 -83.8 96.2 1.3 7.0 18.1 6 6 A D > + 0 0 73 -2,-1.2 4,-2.0 1,-0.2 254,-0.2 -0.635 25.0 172.4 -90.5 94.3 4.4 6.8 15.9 7 7 A G H > S+ 0 0 0 -2,-1.2 4,-2.6 252,-1.1 253,-0.2 0.820 77.7 57.5 -68.9 -34.3 7.3 5.6 18.0 8 8 A R H > S+ 0 0 127 251,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.931 109.7 43.7 -61.6 -49.2 9.6 5.2 15.1 9 9 A A H > S+ 0 0 44 250,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.918 114.6 49.3 -64.5 -41.5 9.2 8.8 14.0 10 10 A L H X S+ 0 0 13 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.918 109.1 52.7 -66.1 -42.0 9.5 10.1 17.6 11 11 A A H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.925 109.8 48.6 -56.3 -48.1 12.7 8.1 18.2 12 12 A K H X S+ 0 0 141 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.907 111.9 49.8 -58.0 -44.6 14.2 9.5 15.0 13 13 A Q H X S+ 0 0 105 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.934 112.3 46.4 -61.2 -46.6 13.3 13.1 16.1 14 14 A I H >X S+ 0 0 31 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.906 105.7 59.5 -66.7 -40.6 14.7 12.6 19.5 15 15 A E H 3X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.822 93.8 68.0 -59.5 -30.1 18.0 11.1 18.3 16 16 A E H 3X S+ 0 0 138 -4,-1.2 4,-1.6 -3,-0.5 -1,-0.2 0.940 107.6 35.7 -55.0 -50.6 18.7 14.2 16.2 17 17 A N H - 0 0 78 -3,-0.4 4,-1.8 1,-0.2 5,-0.1 -0.409 41.7-151.2 -62.0 125.6 18.5 -16.2 24.0 44 44 A G H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 92.5 50.1 -66.9 -43.8 18.2 -15.1 20.4 45 45 A A H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 109.1 53.4 -62.4 -42.7 15.7 -12.2 21.0 46 46 A S H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 107.7 50.5 -58.1 -44.3 18.0 -10.9 23.8 47 47 A A H X S+ 0 0 42 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.912 111.5 48.7 -60.1 -43.1 21.0 -10.8 21.4 48 48 A T H X S+ 0 0 84 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 110.9 49.4 -63.2 -45.9 19.0 -8.9 18.8 49 49 A Y H X S+ 0 0 84 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.898 110.2 50.9 -61.4 -43.4 17.8 -6.4 21.3 50 50 A V H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.931 110.5 49.1 -62.3 -42.2 21.3 -5.7 22.6 51 51 A R H X S+ 0 0 132 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.912 109.9 51.6 -64.6 -42.0 22.6 -5.2 19.1 52 52 A M H X S+ 0 0 85 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.881 110.8 49.1 -58.8 -38.1 19.7 -2.8 18.4 53 53 A K H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 111.0 48.4 -71.0 -41.9 20.7 -0.9 21.5 54 54 A G H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.896 110.4 52.4 -62.1 -40.0 24.3 -0.7 20.6 55 55 A N H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.908 108.0 51.1 -63.2 -40.2 23.4 0.5 17.1 56 56 A A H X S+ 0 0 1 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.889 107.2 54.2 -63.5 -41.9 21.3 3.2 18.7 57 57 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 3,-0.7 0.939 110.4 46.3 -54.2 -48.5 24.2 4.3 20.9 58 58 A R H ><5S+ 0 0 84 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.864 103.5 62.0 -68.7 -34.0 26.4 4.6 17.8 59 59 A R H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 107.9 44.7 -61.5 -27.5 23.8 6.5 15.8 60 60 A V T <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.7 -38,-0.2 0.230 126.9 -97.5-104.5 16.9 24.0 9.3 18.4 61 61 A G T < 5S+ 0 0 11 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.492 87.6 113.2 88.4 5.6 27.8 9.3 18.6 62 62 A M < - 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.3 -0.364 53.7-138.1 -94.9 179.4 28.3 7.1 21.6 63 63 A D E -l 34 0B 75 -30,-2.2 -28,-2.0 -2,-0.1 2,-0.3 -0.905 9.0-130.1-132.3 165.9 29.8 3.7 21.8 64 64 A S E -l 35 0B 30 -2,-0.3 2,-0.6 -30,-0.2 -28,-0.2 -0.825 5.7-141.4-112.8 154.1 29.0 0.4 23.6 65 65 A L E -l 36 0B 62 -30,-2.3 -28,-2.4 -2,-0.3 2,-0.7 -0.979 27.9-145.7-107.3 110.7 31.1 -1.9 25.8 66 66 A K E -l 37 0B 122 -2,-0.6 2,-0.6 -30,-0.2 -28,-0.2 -0.705 18.2-175.9 -88.5 109.8 29.8 -5.3 24.8 67 67 A I E -l 38 0B 24 -30,-3.0 -28,-2.7 -2,-0.7 2,-0.5 -0.936 2.3-178.3-104.9 121.8 29.8 -7.8 27.7 68 68 A E E -l 39 0B 121 -2,-0.6 -28,-0.2 -30,-0.2 -30,-0.1 -0.991 2.1-177.9-124.0 122.9 28.8 -11.4 26.8 69 69 A L E -l 40 0B 39 -30,-2.7 -28,-3.3 -2,-0.5 -2,-0.0 -0.872 30.5 -96.1-121.4 152.3 28.6 -14.0 29.5 70 70 A P > - 0 0 70 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.178 30.6-109.3 -72.1 161.0 27.8 -17.7 29.1 71 71 A Q T 3 S+ 0 0 64 1,-0.3 -31,-0.1 -31,-0.1 -2,-0.0 0.815 117.3 54.8 -52.2 -36.1 24.4 -19.4 29.7 72 72 A E T 3 S+ 0 0 141 31,-0.0 -1,-0.3 2,-0.0 -32,-0.0 0.300 75.8 139.3 -91.1 10.9 25.7 -21.0 32.9 73 73 A T < - 0 0 2 -3,-1.9 2,-0.2 1,-0.1 30,-0.1 -0.259 45.9-135.6 -51.1 137.5 26.8 -17.8 34.5 74 74 A T > - 0 0 58 1,-0.1 4,-2.5 30,-0.1 5,-0.2 -0.532 20.2-108.5 -95.2 163.4 25.9 -17.7 38.2 75 75 A T H > S+ 0 0 34 28,-0.4 4,-2.8 1,-0.2 5,-0.2 0.936 120.7 52.4 -53.1 -49.6 24.4 -14.9 40.3 76 76 A E H > S+ 0 0 160 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 109.7 48.7 -55.4 -42.8 27.8 -14.4 42.0 77 77 A Q H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 112.3 47.2 -67.3 -41.8 29.6 -14.1 38.7 78 78 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.916 110.6 52.1 -68.4 -41.6 27.1 -11.6 37.3 79 79 A L H X S+ 0 0 54 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.924 108.6 52.0 -57.2 -42.9 27.2 -9.5 40.4 80 80 A A H X S+ 0 0 51 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.904 109.7 49.1 -61.0 -41.5 31.0 -9.4 40.2 81 81 A E H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.907 110.6 50.1 -64.6 -43.2 30.8 -8.2 36.6 82 82 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.909 108.9 52.1 -62.8 -40.6 28.3 -5.5 37.5 83 83 A E H X S+ 0 0 107 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.896 106.9 52.8 -65.8 -37.2 30.6 -4.3 40.3 84 84 A K H < S+ 0 0 139 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.936 111.8 46.9 -58.0 -46.1 33.5 -4.1 37.9 85 85 A L H >< S+ 0 0 4 -4,-2.1 3,-1.4 1,-0.2 6,-0.3 0.898 107.3 56.0 -66.1 -39.4 31.4 -1.9 35.6 86 86 A N H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 112.7 42.6 -56.0 -38.1 30.2 0.3 38.4 87 87 A A T 3< S+ 0 0 81 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.285 89.8 101.5 -95.3 6.8 33.8 1.1 39.3 88 88 A N X - 0 0 47 -3,-1.4 3,-1.8 -4,-0.2 -4,-0.0 -0.841 57.7-160.9 -96.6 109.1 34.9 1.6 35.7 89 89 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.610 87.3 63.7 -71.1 -8.1 35.1 5.3 35.1 90 90 A D T 3 S+ 0 0 104 -57,-0.1 2,-0.5 -5,-0.0 -56,-0.1 0.555 90.3 77.6 -87.6 -6.3 35.0 4.8 31.3 91 91 A V < + 0 0 3 -3,-1.8 -56,-0.2 -6,-0.3 3,-0.1 -0.892 51.7 175.8-107.3 123.3 31.4 3.3 31.5 92 92 A H + 0 0 14 -58,-2.5 2,-0.3 -2,-0.5 -57,-0.2 0.737 67.3 22.9-101.4 -25.4 28.6 5.8 32.0 93 93 A G E -m 35 0B 0 -59,-1.5 -57,-3.0 25,-0.1 2,-0.4 -0.981 63.1-150.4-140.4 151.4 25.6 3.5 31.8 94 94 A I E -m 36 0B 0 23,-2.8 26,-0.6 -2,-0.3 2,-0.5 -0.994 8.7-171.9-125.9 125.7 24.9 -0.2 32.4 95 95 A L E -m 37 0B 0 -59,-2.9 -57,-2.4 -2,-0.4 2,-0.6 -0.981 5.6-167.1-111.6 124.7 22.3 -2.3 30.7 96 96 A L E -m 38 0B 2 -2,-0.5 2,-0.5 -59,-0.2 -57,-0.1 -0.963 26.8-132.1-102.9 115.3 21.6 -5.9 31.8 97 97 A Q - 0 0 17 -59,-2.5 -57,-0.4 -2,-0.6 -51,-0.1 -0.568 33.0-107.3 -75.8 120.1 19.4 -7.4 29.1 98 98 A H S S+ 0 0 83 -2,-0.5 -1,-0.0 1,-0.2 -59,-0.0 -0.603 90.5 43.9 -86.4 148.4 16.3 -9.2 30.5 99 99 A P S S- 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -56,-0.1 0.415 71.3-170.7 -94.5 131.3 15.5 -12.1 30.9 100 100 A V - 0 0 14 1,-0.2 6,-0.1 -4,-0.1 -59,-0.1 -0.295 46.9 -65.1 -73.0 162.9 18.8 -13.5 32.2 101 101 A P > - 0 0 11 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.180 53.8-111.7 -50.4 145.5 19.2 -17.3 32.5 102 102 A A T 3 S+ 0 0 105 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.698 111.0 63.7 -59.5 -28.8 16.8 -18.8 35.1 103 103 A Q T 3 S+ 0 0 101 -30,-0.1 -28,-0.4 2,-0.1 2,-0.4 0.604 88.1 89.7 -72.5 -12.5 19.5 -19.8 37.7 104 104 A I S < S- 0 0 12 -3,-2.2 2,-1.5 -30,-0.1 3,-0.2 -0.708 81.7-128.3 -88.9 137.2 20.4 -16.1 38.1 105 105 A D > - 0 0 89 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 -0.684 31.0-175.2 -79.1 89.4 18.7 -13.9 40.7 106 106 A E H > S+ 0 0 36 -2,-1.5 4,-3.2 1,-0.2 5,-0.2 0.884 77.9 53.9 -59.8 -42.3 17.9 -11.2 38.2 107 107 A R H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 107.2 51.3 -60.4 -43.8 16.5 -8.8 40.8 108 108 A A H > S+ 0 0 32 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.908 113.4 46.2 -59.0 -39.2 19.7 -9.1 42.9 109 109 A C H >X S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 4,-0.6 0.923 110.4 50.7 -74.0 -44.9 21.7 -8.3 39.8 110 110 A F H >< S+ 0 0 3 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 0.930 109.4 53.3 -51.4 -46.2 19.5 -5.4 38.7 111 111 A D H 3< S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.678 98.3 64.8 -70.2 -14.6 19.9 -4.0 42.2 112 112 A A H << S+ 0 0 17 -3,-0.8 -1,-0.3 -4,-0.7 2,-0.2 0.677 77.8 101.1 -78.9 -19.7 23.7 -4.1 42.0 113 113 A I S << S- 0 0 5 -3,-1.4 5,-0.1 -4,-0.6 -30,-0.1 -0.473 84.7-111.1 -67.4 131.9 23.8 -1.6 39.3 114 114 A S >> - 0 0 37 -32,-0.2 3,-1.2 -2,-0.2 4,-0.6 -0.342 18.5-123.1 -66.0 146.3 24.7 1.8 40.7 115 115 A L G >4 S+ 0 0 56 1,-0.3 3,-1.2 2,-0.2 22,-0.3 0.896 112.0 56.7 -55.1 -40.6 22.0 4.4 40.6 116 116 A A G 34 S+ 0 0 69 1,-0.3 -1,-0.3 20,-0.1 164,-0.1 0.755 114.9 37.9 -64.7 -25.6 24.2 6.8 38.6 117 117 A K G <4 S+ 0 0 23 -3,-1.2 -23,-2.8 1,-0.1 2,-2.2 0.323 82.1 110.8-106.2 6.9 24.6 4.1 35.9 118 118 A D X< + 0 0 1 -3,-1.2 3,-1.7 -4,-0.6 5,-0.1 -0.332 32.2 151.9 -84.3 61.6 21.0 2.7 36.0 119 119 A V T 3 + 0 0 0 -2,-2.2 153,-0.2 1,-0.3 -1,-0.2 0.624 69.3 53.3 -75.5 -14.8 20.1 4.1 32.6 120 120 A D T 3 S- 0 0 21 -26,-0.6 20,-1.9 -3,-0.2 -1,-0.3 0.453 108.9-126.1 -91.4 -5.8 17.6 1.3 31.9 121 121 A G < + 0 0 9 -3,-1.7 18,-0.2 18,-0.3 -2,-0.1 0.870 64.5 134.3 65.2 46.1 15.9 2.1 35.2 122 122 A V + 0 0 7 -12,-0.1 2,-0.1 16,-0.1 -11,-0.1 0.534 31.9 106.5-102.7 -9.8 15.9 -1.4 36.7 123 123 A T > - 0 0 5 -5,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.395 68.8-132.0 -76.0 149.8 17.0 -0.8 40.3 124 124 A C H > S+ 0 0 1 2,-0.2 4,-2.6 -17,-0.2 5,-0.2 0.898 111.0 53.0 -58.8 -42.5 14.7 -1.1 43.3 125 125 A L H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 108.9 48.5 -61.8 -46.2 16.1 2.2 44.5 126 126 A G H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 111.7 49.6 -61.0 -40.2 15.4 3.9 41.2 127 127 A F H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.933 112.7 46.8 -62.1 -47.5 11.9 2.6 41.1 128 128 A G H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 6,-0.2 0.921 112.8 49.4 -63.5 -42.4 11.3 3.8 44.7 129 129 A R H <>S+ 0 0 55 -4,-2.7 5,-2.9 1,-0.2 3,-0.4 0.950 112.7 47.2 -59.6 -50.4 12.7 7.2 43.9 130 130 A M H ><5S+ 0 0 20 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.926 109.5 53.9 -55.2 -46.8 10.6 7.5 40.8 131 131 A A H 3<5S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.818 112.4 44.4 -62.5 -28.2 7.5 6.4 42.7 132 132 A M T 3<5S- 0 0 26 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.280 121.1-104.2-100.9 8.6 8.1 9.2 45.3 133 133 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.612 75.3 136.0 82.7 12.6 8.9 11.9 42.8 134 134 A E < - 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0 0 86 -3,-0.4 4,-2.1 1,-0.2 5,-0.1 -0.338 40.2-149.0 -58.6 126.9 2.6 20.0 66.4 331 44 B G H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 94.3 49.4 -66.6 -43.9 0.3 18.6 69.2 332 45 B A H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.924 111.1 51.0 -62.1 -44.5 -0.9 15.5 67.3 333 46 B S H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.913 109.1 50.9 -58.2 -43.5 2.8 14.7 66.4 334 47 B A H X S+ 0 0 41 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.912 111.2 48.9 -62.0 -41.3 3.8 15.0 70.1 335 48 B T H X S+ 0 0 56 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.918 109.8 50.5 -64.8 -45.0 1.0 12.7 71.1 336 49 B Y H X S+ 0 0 86 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 112.0 47.8 -61.2 -41.2 1.9 10.1 68.5 337 50 B V H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.903 110.8 51.2 -65.3 -41.7 5.5 10.1 69.7 338 51 B R H X S+ 0 0 140 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.930 111.4 48.3 -60.0 -46.3 4.4 9.8 73.3 339 52 B M H X S+ 0 0 78 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.885 111.3 50.1 -62.6 -38.0 2.2 6.9 72.4 340 53 B K H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 110.4 49.6 -68.8 -40.1 5.1 5.2 70.5 341 54 B G H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.897 109.8 51.7 -62.6 -40.6 7.5 5.7 73.4 342 55 B N H X S+ 0 0 62 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 107.5 52.3 -62.1 -40.6 4.9 4.2 75.7 343 56 B A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 6,-0.2 0.894 106.7 54.0 -65.0 -40.4 4.6 1.2 73.4 344 57 B C H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.7 0.955 111.1 45.3 -53.4 -49.8 8.4 0.7 73.5 345 58 B R H ><5S+ 0 0 112 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.877 104.8 61.4 -68.3 -33.9 8.4 0.6 77.2 346 59 B R H 3<5S+ 0 0 127 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.806 108.2 44.5 -59.5 -32.1 5.4 -1.7 77.3 347 60 B V T <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.7 -38,-0.2 0.237 125.8 -98.7-100.4 14.9 7.5 -4.3 75.5 348 61 B G T < 5S+ 0 0 12 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.497 89.1 108.9 90.1 3.1 10.6 -3.8 77.5 349 62 B M < - 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0 0 3 -3,-2.0 2,-0.2 1,-0.1 30,-0.1 -0.194 47.2-133.6 -47.4 135.7 15.1 23.1 62.1 361 74 B T > - 0 0 55 1,-0.1 4,-2.4 30,-0.1 5,-0.2 -0.541 19.6-109.8 -89.2 164.7 16.6 23.1 58.6 362 75 B T H > S+ 0 0 25 28,-0.3 4,-2.9 1,-0.2 5,-0.2 0.928 120.9 53.0 -53.0 -44.9 16.8 20.1 56.2 363 76 B E H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 108.7 48.3 -63.5 -41.2 20.6 20.1 56.7 364 77 B Q H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 112.5 48.1 -65.5 -41.3 20.3 20.1 60.5 365 78 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 109.9 52.5 -68.0 -42.0 17.8 17.2 60.4 366 79 B L H X S+ 0 0 53 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.925 108.8 51.3 -56.7 -42.7 20.0 15.2 58.0 367 80 B A H X S+ 0 0 57 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.896 109.7 49.2 -64.7 -36.9 22.9 15.7 60.4 368 81 B E H X S+ 0 0 33 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.912 111.0 49.7 -68.0 -41.7 20.8 14.4 63.4 369 82 B I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.894 109.0 52.0 -62.1 -42.2 19.7 11.4 61.4 370 83 B E H X S+ 0 0 105 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.889 107.0 53.8 -65.4 -36.1 23.3 10.6 60.3 371 84 B K H X S+ 0 0 144 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.938 111.8 45.0 -59.4 -44.0 24.3 10.7 64.0 372 85 B L H >< S+ 0 0 5 -4,-2.0 3,-0.8 1,-0.2 6,-0.3 0.886 109.1 55.4 -69.4 -38.9 21.6 8.2 64.8 373 86 B N H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.9 46.3 -56.2 -38.2 22.6 6.0 61.8 374 87 B A H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.560 89.7 95.3 -84.4 -10.7 26.1 5.9 63.2 375 88 B N X< - 0 0 54 -3,-0.8 3,-1.8 -4,-0.7 -4,-0.0 -0.737 60.0-160.6 -88.6 109.5 25.1 5.1 66.8 376 89 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.680 87.4 64.0 -68.1 -14.3 25.2 1.3 67.3 377 90 B D T 3 S+ 0 0 70 -57,-0.1 2,-0.6 -3,-0.0 -56,-0.3 0.613 87.3 80.9 -80.3 -14.2 23.0 1.5 70.3 378 91 B V < + 0 0 2 -3,-1.8 -56,-0.1 -6,-0.3 3,-0.1 -0.863 53.1 177.0 -96.6 122.7 20.1 2.8 68.2 379 92 B H + 0 0 12 -58,-2.3 2,-0.3 -2,-0.6 -57,-0.2 0.757 65.5 21.3 -97.9 -29.7 18.2 0.0 66.4 380 93 B G E -q 322 0E 0 -59,-1.6 -57,-3.0 25,-0.1 2,-0.4 -0.982 61.9-150.0-140.5 153.3 15.5 2.0 64.7 381 94 B I E -q 323 0E 1 23,-2.7 26,-0.6 -2,-0.3 2,-0.5 -0.993 8.9-171.1-125.8 125.3 14.8 5.6 63.7 382 95 B L E -q 324 0E 0 -59,-3.0 -57,-2.5 -2,-0.4 2,-0.6 -0.976 5.3-167.4-110.9 122.9 11.3 7.2 63.6 383 96 B L E -q 325 0E 3 -2,-0.5 2,-0.4 -59,-0.2 -57,-0.1 -0.960 27.7-131.9-101.8 114.1 11.0 10.7 62.0 384 97 B Q - 0 0 17 -59,-2.5 -57,-0.4 -2,-0.6 -51,-0.1 -0.540 33.5-106.4 -74.7 123.4 7.5 11.7 63.0 385 98 B H S S+ 0 0 84 -2,-0.4 -1,-0.0 1,-0.2 2,-0.0 -0.637 91.4 42.4 -91.8 148.5 5.5 13.1 60.1 386 99 B P S S- 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -56,-0.1 0.425 71.7-170.7 -91.8 132.4 4.6 15.8 59.1 387 100 B V - 0 0 12 1,-0.2 6,-0.1 -4,-0.1 -59,-0.1 -0.350 49.3 -66.4 -70.8 161.1 7.8 17.7 59.9 388 101 B P > - 0 0 28 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.251 54.9-117.0 -48.2 139.6 7.7 21.5 59.6 389 102 B A T 3 S+ 0 0 103 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.566 106.6 70.0 -73.7 -11.1 7.2 22.3 55.9 390 103 B Q T 3 S+ 0 0 105 -30,-0.1 2,-0.4 2,-0.1 -28,-0.3 0.604 87.6 86.0 -74.0 -11.9 10.5 24.2 55.2 391 104 B I S < S- 0 0 10 -3,-2.1 2,-1.4 -30,-0.1 3,-0.2 -0.743 86.5-124.9 -90.9 138.5 12.2 20.8 55.6 392 105 B D > - 0 0 76 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 -0.683 31.5-174.6 -79.0 91.6 12.5 18.4 52.7 393 106 B E H > S+ 0 0 34 -2,-1.4 4,-3.1 1,-0.2 5,-0.2 0.905 77.9 54.1 -62.4 -42.4 10.9 15.5 54.5 394 107 B R H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 106.9 51.1 -58.4 -46.7 11.5 13.0 51.7 395 108 B A H > S+ 0 0 26 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.897 113.1 46.6 -55.1 -40.9 15.3 13.8 51.7 396 109 B C H >X S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 4,-0.6 0.928 110.3 50.8 -73.6 -44.5 15.3 13.2 55.5 397 110 B F H >< S+ 0 0 4 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.933 109.4 53.4 -50.1 -47.5 13.3 10.0 55.3 398 111 B D H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.679 97.9 64.5 -69.2 -15.9 15.7 8.8 52.7 399 112 B A H << S+ 0 0 16 -3,-0.8 -1,-0.3 -4,-0.8 2,-0.2 0.645 78.0 103.1 -77.3 -18.9 18.7 9.5 54.9 400 113 B I S << S- 0 0 5 -3,-1.5 5,-0.1 -4,-0.6 -30,-0.1 -0.500 84.5-110.3 -68.5 129.6 17.6 6.8 57.4 401 114 B S >> - 0 0 47 -2,-0.2 3,-1.6 -32,-0.2 4,-0.6 -0.346 21.0-124.4 -58.0 141.5 19.7 3.7 57.1 402 115 B L G >4 S+ 0 0 58 1,-0.3 3,-1.2 2,-0.2 22,-0.3 0.876 111.6 57.2 -55.6 -40.4 17.7 0.8 55.6 403 116 B A G 34 S+ 0 0 70 1,-0.3 -1,-0.3 20,-0.1 164,-0.1 0.721 113.9 38.9 -64.3 -22.5 18.5 -1.4 58.7 404 117 B K G <4 S+ 0 0 23 -3,-1.6 -23,-2.7 1,-0.1 2,-2.3 0.327 81.7 111.3-109.4 6.0 17.0 1.2 61.0 405 118 B D X< + 0 0 2 -3,-1.2 3,-1.6 -4,-0.6 5,-0.1 -0.322 32.8 151.8 -81.0 60.2 14.0 2.1 58.7 406 119 B V T 3 + 0 0 0 -2,-2.3 153,-0.2 1,-0.3 -1,-0.2 0.623 68.9 52.1 -74.7 -15.0 11.6 0.6 61.2 407 120 B D T 3 S- 0 0 26 -26,-0.6 20,-1.8 -3,-0.2 -1,-0.3 0.474 109.0-125.7 -93.4 -4.8 8.7 2.9 60.1 408 121 B G < + 0 0 2 -3,-1.6 18,-0.3 18,-0.3 -2,-0.1 0.890 64.3 134.8 66.9 46.1 9.3 2.0 56.5 409 122 B V + 0 0 6 -12,-0.1 2,-0.1 16,-0.1 -11,-0.1 0.504 31.8 106.6-103.6 -9.3 9.7 5.5 55.0 410 123 B T > - 0 0 5 -5,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.417 69.3-131.6 -76.0 151.1 12.7 5.2 52.8 411 124 B C H > S+ 0 0 0 2,-0.2 4,-2.8 -17,-0.2 5,-0.2 0.907 111.8 52.7 -59.1 -42.5 12.4 5.2 48.9 412 125 B L H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 108.8 48.3 -60.8 -45.0 14.7 2.1 49.0 413 126 B G H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 111.9 49.5 -61.9 -42.4 12.5 0.3 51.4 414 127 B F H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.939 112.6 47.5 -61.2 -46.4 9.4 1.1 49.4 415 128 B G H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.907 112.4 48.9 -62.5 -43.9 11.1 -0.1 46.2 416 129 B R H ><>S+ 0 0 59 -4,-2.8 5,-2.8 2,-0.2 3,-0.6 0.956 112.9 47.5 -60.6 -48.4 12.3 -3.3 47.9 417 130 B M H ><5S+ 0 0 25 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.925 109.3 54.1 -57.3 -44.8 8.8 -4.0 49.3 418 131 B A H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 112.9 43.6 -62.2 -29.0 7.2 -3.3 45.9 419 132 B M T <<5S- 0 0 23 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.203 120.7-103.5-103.3 11.4 9.5 -5.9 44.3 420 133 B G T < 5S+ 0 0 53 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.601 75.3 135.7 80.1 12.2 9.2 -8.6 47.0 421 134 B E < - 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