==== 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 4B4V . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN FOLD; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII ATCC 19606; . AUTHOR T.C.EADSFORTH,F.V.MALUF,W.N.HUNTER . 566 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 13.1 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 . 56 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 186 0, 0.0 248,-0.1 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 -31.9 -10.0 7.8 13.0 2 2 A A - 0 0 17 246,-1.3 2,-0.6 1,-0.1 251,-0.3 -0.163 360.0-118.5 -61.5 145.4 -7.3 7.0 15.6 3 3 A L E -a 253 0A 81 249,-2.4 251,-2.3 149,-0.0 2,-0.6 -0.771 27.8-131.4 -78.5 122.9 -4.1 9.0 15.9 4 4 A V E -a 254 0A 62 -2,-0.6 2,-1.3 249,-0.2 251,-0.2 -0.693 12.2-139.1 -75.2 120.5 -1.2 6.6 15.2 5 5 A L - 0 0 0 249,-3.3 2,-1.4 -2,-0.6 3,-0.1 -0.711 21.5-153.8 -82.2 94.4 1.3 7.1 18.1 6 6 A D > + 0 0 74 -2,-1.3 4,-1.7 1,-0.2 254,-0.2 -0.564 27.0 168.3 -84.4 91.2 4.4 7.0 15.9 7 7 A G H > S+ 0 0 0 -2,-1.4 4,-2.7 252,-0.8 253,-0.2 0.845 77.3 56.9 -66.7 -36.4 7.3 5.8 18.1 8 8 A R H > S+ 0 0 144 251,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.952 110.0 43.7 -61.7 -48.9 9.6 5.2 15.2 9 9 A A H > S+ 0 0 46 250,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.872 115.1 49.4 -63.1 -39.0 9.2 8.8 14.0 10 10 A L H X S+ 0 0 11 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.900 108.5 52.5 -68.7 -42.1 9.6 10.2 17.5 11 11 A A H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.914 111.2 47.2 -58.2 -46.1 12.7 8.1 18.2 12 12 A K H X S+ 0 0 143 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.934 113.0 49.0 -60.5 -47.9 14.3 9.4 15.0 13 13 A Q H >X S+ 0 0 105 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.937 111.5 49.1 -57.0 -50.1 13.4 13.0 15.9 14 14 A I H 3X S+ 0 0 26 -4,-3.0 4,-1.4 1,-0.2 3,-0.4 0.864 103.6 60.0 -61.4 -39.2 14.8 12.7 19.5 15 15 A E H 3X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.764 90.0 73.1 -61.6 -27.7 18.1 11.2 18.3 16 16 A E H - 0 0 70 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.416 39.4-152.7 -59.9 116.7 18.2 -15.9 24.3 44 44 A G H > S+ 0 0 49 -2,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.916 92.8 48.5 -58.3 -48.3 17.9 -14.9 20.6 45 45 A A H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 108.8 54.2 -61.6 -41.6 15.6 -11.9 21.3 46 46 A S H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.937 109.4 48.0 -56.8 -48.4 17.9 -10.6 24.1 47 47 A A H X S+ 0 0 43 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 111.6 50.9 -57.1 -45.4 20.9 -10.6 21.6 48 48 A T H X S+ 0 0 80 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.934 112.4 45.4 -59.1 -47.2 18.8 -8.8 19.0 49 49 A Y H X S+ 0 0 35 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.880 109.9 54.0 -68.8 -36.9 17.7 -6.1 21.4 50 50 A V H X S+ 0 0 11 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.922 109.9 48.1 -61.7 -42.3 21.3 -5.6 22.8 51 51 A R H X S+ 0 0 138 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.897 109.0 53.0 -63.8 -41.9 22.5 -5.1 19.2 52 52 A M H X S+ 0 0 61 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.890 111.4 47.1 -58.9 -40.2 19.7 -2.6 18.5 53 53 A K H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.902 111.2 50.1 -69.7 -43.6 20.8 -0.7 21.6 54 54 A G H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.923 112.4 48.6 -56.6 -46.0 24.5 -0.8 20.6 55 55 A N H X S+ 0 0 59 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.908 109.6 51.8 -60.2 -44.8 23.5 0.5 17.2 56 56 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.891 107.4 53.0 -60.6 -42.5 21.4 3.2 18.8 57 57 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.8 0.943 110.9 46.9 -55.0 -49.3 24.3 4.3 20.9 58 58 A R H ><5S+ 0 0 84 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.850 103.3 62.5 -66.3 -34.6 26.5 4.6 17.8 59 59 A R H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.9 44.0 -59.1 -31.2 23.9 6.5 15.9 60 60 A V T <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.8 -38,-0.2 0.102 127.5 -96.6-103.2 21.1 24.1 9.3 18.5 61 61 A G T < 5S+ 0 0 13 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.510 88.7 114.3 82.8 5.2 28.0 9.3 18.6 62 62 A M < - 0 0 2 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.398 53.1-139.0 -94.2 177.9 28.3 7.1 21.7 63 63 A D E -l 34 0B 76 -30,-2.2 -28,-1.9 -2,-0.1 2,-0.3 -0.876 8.0-130.9-130.0 165.1 29.8 3.6 21.9 64 64 A S E -l 35 0B 27 -2,-0.3 2,-0.6 -30,-0.2 -28,-0.2 -0.831 6.1-141.7-111.7 156.5 28.9 0.4 23.8 65 65 A L E -l 36 0B 64 -30,-2.2 -28,-2.1 -2,-0.3 2,-0.9 -0.975 27.2-143.7-112.5 110.9 31.1 -2.0 25.9 66 66 A K E -l 37 0B 117 -2,-0.6 2,-0.6 -30,-0.2 -28,-0.2 -0.667 19.2-176.0 -87.9 105.4 29.8 -5.4 25.0 67 67 A I E -l 38 0B 25 -30,-3.2 -28,-2.8 -2,-0.9 2,-0.5 -0.911 4.8-179.6 -98.7 117.9 29.8 -7.8 27.9 68 68 A E E -l 39 0B 121 -2,-0.6 -28,-0.2 -30,-0.2 -30,-0.1 -0.981 2.3-176.5-122.3 120.7 28.7 -11.3 26.9 69 69 A L E -l 40 0B 30 -30,-2.7 -28,-2.9 -2,-0.5 4,-0.0 -0.852 29.0 -98.1-118.9 150.5 28.5 -14.0 29.6 70 70 A P > - 0 0 70 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.156 32.0-108.3 -68.7 162.1 27.7 -17.8 29.2 71 71 A Q T 3 S+ 0 0 73 1,-0.3 -31,-0.0 -31,-0.1 -2,-0.0 0.824 117.1 53.2 -52.2 -38.7 24.3 -19.4 29.8 72 72 A E T 3 S+ 0 0 145 31,-0.0 -1,-0.3 -31,-0.0 -32,-0.0 0.150 76.5 141.0 -93.4 18.8 25.5 -21.1 33.1 73 73 A T < - 0 0 2 -3,-1.7 2,-0.2 1,-0.1 30,-0.1 -0.351 44.9-135.1 -57.5 139.4 26.7 -17.8 34.7 74 74 A T > - 0 0 57 1,-0.1 4,-2.4 30,-0.1 5,-0.2 -0.499 19.1-108.9 -94.8 167.5 26.0 -17.7 38.4 75 75 A T H > S+ 0 0 36 28,-0.3 4,-2.7 1,-0.2 5,-0.2 0.913 120.2 52.1 -58.8 -45.9 24.5 -14.9 40.5 76 76 A E H > S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 110.7 48.0 -57.5 -44.7 27.9 -14.4 42.2 77 77 A Q H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.924 112.3 47.3 -65.1 -46.3 29.7 -14.1 38.8 78 78 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 111.1 52.0 -62.1 -45.0 27.2 -11.6 37.4 79 79 A L H X S+ 0 0 55 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.921 108.8 50.9 -55.3 -47.4 27.4 -9.5 40.5 80 80 A A H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 109.9 50.3 -58.1 -43.3 31.2 -9.4 40.3 81 81 A E H X S+ 0 0 46 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.881 110.3 49.5 -61.7 -41.1 30.9 -8.3 36.6 82 82 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 32,-0.2 0.887 108.9 52.2 -67.5 -38.4 28.5 -5.5 37.5 83 83 A E H X S+ 0 0 105 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.878 106.2 54.5 -66.8 -36.1 30.8 -4.3 40.3 84 84 A K H < S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.948 111.9 44.2 -56.9 -47.6 33.7 -4.2 37.8 85 85 A L H >< S+ 0 0 8 -4,-1.8 3,-1.2 1,-0.2 6,-0.2 0.848 108.5 56.9 -68.4 -36.6 31.6 -1.9 35.6 86 86 A N H 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.8 43.3 -58.0 -41.9 30.4 0.2 38.6 87 87 A A T 3< S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.314 90.7 102.4 -88.4 7.6 34.1 0.9 39.3 88 88 A N X - 0 0 48 -3,-1.2 3,-2.1 1,-0.1 -1,-0.0 -0.816 55.3-164.6 -94.3 105.4 34.9 1.5 35.7 89 89 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.621 87.4 62.4 -67.3 -11.0 35.2 5.3 35.1 90 90 A D T 3 S+ 0 0 114 -57,-0.1 2,-0.5 -3,-0.0 -56,-0.1 0.496 91.5 78.0 -87.7 -6.3 35.0 4.8 31.3 91 91 A V < + 0 0 3 -3,-2.1 -56,-0.2 -6,-0.2 3,-0.1 -0.921 51.3 173.9-107.1 126.5 31.5 3.3 31.7 92 92 A H + 0 0 13 -58,-2.3 2,-0.3 -2,-0.5 -57,-0.2 0.662 66.5 24.4-108.2 -21.8 28.7 5.7 32.2 93 93 A G E -m 35 0B 0 -59,-1.3 -57,-3.2 25,-0.1 2,-0.4 -0.989 63.3-151.0-142.6 151.1 25.6 3.5 32.0 94 94 A I E -m 36 0B 0 23,-2.9 26,-0.6 -2,-0.3 2,-0.5 -0.990 7.9-170.1-126.4 128.2 25.0 -0.2 32.6 95 95 A L E -m 37 0B 0 -59,-3.0 -57,-2.4 -2,-0.4 2,-0.6 -0.973 5.7-169.6-113.7 126.8 22.3 -2.4 30.9 96 96 A L E -m 38 0B 1 -2,-0.5 2,-0.2 -59,-0.2 -57,-0.1 -0.948 26.3-136.1-110.9 106.3 21.5 -5.9 32.1 97 97 A Q - 0 0 9 -59,-2.1 -57,-0.4 -2,-0.6 -51,-0.1 -0.447 31.2-106.7 -67.6 125.3 19.2 -7.4 29.5 98 98 A H S S+ 0 0 85 -2,-0.2 -1,-0.0 1,-0.2 -59,-0.0 -0.725 91.3 45.6 -95.4 147.3 16.3 -9.3 30.9 99 99 A P S S- 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -56,-0.1 0.364 70.7-172.1 -91.2 127.1 15.5 -12.1 31.2 100 100 A V - 0 0 14 1,-0.2 6,-0.1 -4,-0.1 -59,-0.1 -0.272 48.9 -64.7 -67.0 162.9 18.8 -13.5 32.5 101 101 A P > - 0 0 9 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.216 54.1-111.3 -51.1 145.6 19.1 -17.3 32.8 102 102 A A T 3 S+ 0 0 103 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.739 112.0 63.2 -56.5 -32.4 16.8 -18.8 35.4 103 103 A Q T 3 S+ 0 0 100 -30,-0.1 2,-0.4 2,-0.1 -28,-0.3 0.658 88.5 88.4 -69.9 -15.0 19.5 -19.8 38.0 104 104 A I S < S- 0 0 11 -3,-2.1 2,-1.4 -30,-0.1 3,-0.1 -0.680 81.9-128.2 -88.2 135.7 20.5 -16.1 38.4 105 105 A D > - 0 0 76 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 -0.702 29.7-175.1 -78.0 93.9 18.8 -13.9 40.9 106 106 A E H > S+ 0 0 35 -2,-1.4 4,-3.1 1,-0.2 5,-0.2 0.890 77.8 54.9 -63.3 -42.0 18.0 -11.1 38.5 107 107 A R H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 107.7 49.6 -57.8 -47.9 16.6 -8.7 41.1 108 108 A A H > S+ 0 0 27 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.901 113.8 46.9 -57.0 -40.7 19.9 -9.0 43.1 109 109 A C H >X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 3,-0.6 0.905 109.4 51.7 -73.1 -41.9 21.9 -8.2 40.0 110 110 A F H >< S+ 0 0 4 -4,-3.1 3,-1.3 1,-0.2 -1,-0.2 0.934 110.2 51.6 -52.3 -47.9 19.7 -5.3 38.9 111 111 A D H 3< S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.666 97.8 65.7 -70.8 -17.0 20.2 -3.8 42.4 112 112 A A H << S+ 0 0 17 -4,-0.8 -1,-0.3 -3,-0.6 2,-0.2 0.699 79.1 100.3 -74.7 -20.4 24.0 -4.2 42.2 113 113 A I S << S- 0 0 4 -3,-1.3 5,-0.1 -4,-0.6 -30,-0.1 -0.497 86.5-111.2 -66.9 131.2 24.0 -1.6 39.4 114 114 A S >> - 0 0 47 -2,-0.2 3,-1.3 -32,-0.2 4,-0.6 -0.361 19.2-124.4 -63.4 141.2 25.0 1.8 40.8 115 115 A L G >4 S+ 0 0 62 1,-0.3 3,-1.4 2,-0.2 22,-0.2 0.903 111.2 58.5 -53.6 -42.3 22.2 4.4 40.8 116 116 A A G 34 S+ 0 0 74 1,-0.3 -1,-0.3 20,-0.1 164,-0.1 0.751 114.3 36.5 -60.3 -26.4 24.4 6.8 38.8 117 117 A K G <4 S+ 0 0 26 -3,-1.3 -23,-2.9 1,-0.1 2,-2.2 0.291 82.9 111.9-109.2 7.9 24.7 4.2 36.0 118 118 A D X< + 0 0 1 -3,-1.4 3,-1.3 -4,-0.6 5,-0.1 -0.344 31.1 148.8 -81.1 60.9 21.2 2.7 36.2 119 119 A V T 3 + 0 0 0 -2,-2.2 -1,-0.2 1,-0.3 153,-0.2 0.618 68.4 55.6 -75.6 -14.5 20.2 4.2 32.8 120 120 A D T 3 S- 0 0 15 -26,-0.6 20,-1.3 -3,-0.3 -1,-0.3 0.467 107.9-128.7 -90.8 -6.6 17.8 1.3 32.1 121 121 A G < + 0 0 3 -3,-1.3 18,-0.2 18,-0.2 -2,-0.1 0.906 63.2 134.1 62.5 49.4 16.0 2.1 35.4 122 122 A V + 0 0 6 -12,-0.2 -11,-0.1 16,-0.1 -12,-0.1 0.536 32.3 104.2-106.9 -9.4 16.0 -1.4 37.0 123 123 A T S > S- 0 0 6 -13,-0.1 4,-2.1 -5,-0.1 5,-0.1 -0.407 71.5-129.4 -75.7 150.6 17.1 -0.8 40.6 124 124 A C H > S+ 0 0 1 2,-0.2 4,-2.8 -17,-0.2 5,-0.2 0.918 112.3 53.9 -58.3 -42.8 14.7 -0.9 43.5 125 125 A L H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 108.0 48.5 -59.2 -47.7 16.1 2.5 44.6 126 126 A G H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 112.5 49.6 -57.5 -41.7 15.5 4.0 41.2 127 127 A F H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.915 112.7 45.3 -65.2 -46.4 11.9 2.6 41.3 128 128 A G H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 6,-0.2 0.902 113.4 50.2 -64.5 -42.5 11.1 4.0 44.8 129 129 A R H <>S+ 0 0 53 -4,-2.6 5,-2.8 -5,-0.2 4,-0.4 0.932 112.8 46.4 -61.3 -46.9 12.7 7.4 43.9 130 130 A M H ><5S+ 0 0 26 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.933 112.2 51.6 -57.8 -47.2 10.6 7.6 40.7 131 131 A A H 3<5S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.814 112.8 45.0 -61.4 -33.6 7.5 6.5 42.7 132 132 A M T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.355 121.1-105.6 -94.9 4.9 8.1 9.2 45.3 133 133 A G T < 5S+ 0 0 43 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.573 72.5 139.7 86.2 10.8 8.8 11.9 42.7 134 134 A E < - 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0 0 29 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.661 32.2-124.2 -80.6 126.6 -2.4 12.8 25.3 155 155 A E + 0 0 125 -2,-0.4 -1,-0.1 1,-0.2 -5,-0.0 -0.563 42.3 159.0 -72.2 121.9 -4.5 13.9 28.3 156 156 A I > + 0 0 14 -2,-0.4 3,-2.3 25,-0.1 28,-0.2 0.771 38.0 99.1-111.6 -48.0 -3.5 11.7 31.3 157 157 A A T 3 S+ 0 0 27 1,-0.3 26,-0.3 26,-0.1 25,-0.2 -0.184 100.4 4.2 -46.7 121.9 -4.6 13.7 34.4 158 158 A G T 3 S+ 0 0 3 24,-3.4 318,-0.5 1,-0.3 -1,-0.3 0.329 99.3 126.6 84.0 -7.7 -8.0 12.3 35.7 159 159 A K < - 0 0 61 -3,-2.3 25,-2.9 316,-0.1 2,-1.0 -0.493 67.0-115.4 -78.9 152.2 -8.2 9.5 33.2 160 160 A H E -b 184 0A 16 23,-0.2 43,-2.5 41,-0.2 44,-1.6 -0.810 35.7-167.0 -88.5 102.6 -8.7 5.9 34.3 161 161 A A E -bc 185 204A 0 23,-2.9 25,-2.8 -2,-1.0 2,-0.5 -0.778 5.9-164.3 -89.5 132.2 -5.6 4.1 33.3 162 162 A V E -bc 186 205A 0 42,-2.9 44,-2.6 -2,-0.4 2,-0.6 -0.988 0.9-165.6-115.5 123.0 -5.6 0.3 33.4 163 163 A V E -bc 187 206A 0 23,-2.9 25,-3.1 -2,-0.5 2,-0.8 -0.944 6.6-156.4-106.7 117.4 -2.2 -1.4 33.3 164 164 A V E +bc 188 207A 2 42,-2.8 44,-2.2 -2,-0.6 25,-0.2 -0.868 68.0 32.2 -98.5 110.0 -2.4 -5.2 32.5 165 165 A G - 0 0 9 23,-2.7 23,-0.2 -2,-0.8 44,-0.1 -0.180 60.0-149.1 114.5 146.2 0.8 -6.7 33.9 166 166 A R + 0 0 56 5,-0.2 -1,-0.1 -2,-0.1 43,-0.1 -0.071 35.4 155.7-140.3 32.9 2.9 -5.8 36.9 167 167 A S > - 0 0 53 41,-0.4 5,-2.3 1,-0.1 3,-0.5 -0.206 52.7-112.2 -67.6 158.4 6.4 -6.8 36.0 168 168 A A T 5S+ 0 0 32 1,-0.2 -1,-0.1 3,-0.1 -29,-0.1 0.853 113.9 31.9 -60.0 -41.7 9.5 -5.2 37.6 169 169 A I T 5S+ 0 0 46 3,-0.1 -28,-0.3 4,-0.1 -1,-0.2 0.480 136.0 15.0 -97.3 -3.6 10.7 -3.4 34.5 170 170 A L T >5S+ 0 0 26 -3,-0.5 4,-2.7 -29,-0.1 5,-0.2 0.544 120.3 37.1-131.3 -78.5 7.4 -2.7 32.8 171 171 A G H >5S+ 0 0 0 37,-0.2 4,-2.2 1,-0.2 -5,-0.2 0.882 118.4 44.6 -56.8 -48.3 4.0 -3.0 34.5 172 172 A K H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.906 113.0 56.0 -61.3 -38.3 6.9 1.3 36.9 174 174 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.919 107.8 49.2 -53.5 -47.8 4.3 2.0 34.2 175 175 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.921 112.9 45.2 -58.7 -49.0 1.6 2.2 36.9 176 176 A M H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.862 112.0 52.3 -66.9 -37.1 3.6 4.5 39.1 177 177 A M H X S+ 0 0 20 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.898 111.4 46.2 -66.0 -41.3 4.5 6.8 36.2 178 178 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 -5,-0.2 -2,-0.2 0.902 112.0 52.0 -65.9 -40.0 0.9 7.1 35.2 179 179 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.917 106.4 53.2 -60.3 -44.8 -0.0 7.7 38.8 180 180 A Q H 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.0 55.9 -60.0 -30.9 2.6 10.5 39.0 181 181 A A T 3<5S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.188 124.9-106.2 -86.7 15.1 0.8 12.0 35.9 182 182 A N T < 5S+ 0 0 44 -3,-2.0 -24,-3.4 1,-0.2 -3,-0.2 0.648 71.1 143.3 68.3 21.5 -2.4 12.0 37.9 183 183 A A < - 0 0 0 -5,-2.2 2,-0.5 -26,-0.3 -1,-0.2 -0.577 59.1-116.6 -73.1 149.7 -4.2 9.1 36.2 184 184 A T E -b 160 0A 2 -25,-2.9 -23,-2.9 -28,-0.2 2,-0.5 -0.849 43.3-147.7 -80.1 126.9 -6.4 7.0 38.4 185 185 A V E -bD 161 470A 0 285,-1.5 285,-2.9 -2,-0.5 2,-0.5 -0.899 23.9-173.9-116.8 123.9 -4.4 3.7 38.0 186 186 A T E -bD 162 469A 0 -25,-2.8 -23,-2.9 -2,-0.5 2,-0.6 -0.960 13.5-156.8-109.2 127.6 -5.7 0.1 38.1 187 187 A I E -bD 163 468A 0 281,-2.9 281,-1.5 -2,-0.5 2,-0.2 -0.930 12.8-173.4-109.6 118.1 -3.1 -2.6 38.0 188 188 A C E +b 164 0A 0 -25,-3.1 -23,-2.7 -2,-0.6 2,-0.2 -0.696 8.9 162.4-108.7 162.5 -4.1 -6.0 36.7 189 189 A H > - 0 0 16 -2,-0.2 3,-2.1 -25,-0.2 6,-0.1 -0.851 57.6 -60.7-161.6-171.8 -2.3 -9.3 36.6 190 190 A S T 3 S+ 0 0 113 1,-0.3 -2,-0.0 -2,-0.2 -26,-0.0 0.631 129.3 52.6 -66.3 -15.2 -2.8 -13.1 36.2 191 191 A R T 3 S+ 0 0 140 275,-0.1 2,-0.3 251,-0.0 -1,-0.3 0.310 77.1 120.9-101.4 7.3 -5.0 -13.2 39.4 192 192 A T < - 0 0 20 -3,-2.1 3,-0.4 1,-0.1 250,-0.1 -0.574 50.5-157.3 -69.4 131.2 -7.4 -10.5 38.2 193 193 A Q S S+ 0 0 135 248,-0.5 -1,-0.1 -2,-0.3 2,-0.1 0.811 80.4 28.0 -88.7 -36.2 -10.9 -12.0 38.1 194 194 A N > + 0 0 97 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 -0.491 68.2 156.3-125.3 63.6 -12.9 -9.8 35.7 195 195 A L H > S+ 0 0 27 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.884 72.8 53.1 -57.2 -44.6 -10.1 -8.5 33.4 196 196 A P H > S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 107.7 52.0 -59.3 -43.0 -12.5 -7.8 30.5 197 197 A E H > S+ 0 0 89 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.907 113.5 43.6 -56.5 -46.3 -14.8 -5.7 32.7 198 198 A L H >< S+ 0 0 9 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.894 111.3 52.4 -71.2 -41.3 -11.9 -3.5 33.9 199 199 A V H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.2 22,-0.5 0.892 102.3 61.4 -61.2 -39.0 -10.3 -3.1 30.5 200 200 A K H 3< S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 104.8 48.2 -60.0 -24.8 -13.7 -1.9 29.2 201 201 A Q T << S+ 0 0 66 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.3 0.474 86.7 117.4 -92.1 -2.0 -13.6 1.0 31.7 202 202 A A < - 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