==== 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 TRANSFERASE 08-NOV-05 2D61 . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.TANAKA,N.NAKAGAWA,H.TADA,T.YANO,R.MASUI,S.KURAMITSU . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.3 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 . 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 1 0 3 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 5 A M 0 0 182 0, 0.0 3,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -37.9 41.4 14.1 15.2 2 6 A F > + 0 0 167 1,-0.2 3,-1.0 2,-0.1 0, 0.0 0.324 360.0 103.3-100.3 7.7 39.3 16.1 12.6 3 7 A E T 3 S+ 0 0 166 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.885 87.0 36.4 -57.2 -45.4 41.0 19.5 13.0 4 8 A N T 3 S+ 0 0 140 -3,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.302 80.2 130.6 -95.7 9.6 43.0 19.4 9.8 5 9 A I < - 0 0 116 -3,-1.0 2,-0.2 1,-0.1 -3,-0.0 -0.431 53.7-131.6 -65.0 134.6 40.6 17.6 7.5 6 10 A T - 0 0 121 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.593 23.4 -99.2 -88.5 149.6 40.3 19.5 4.2 7 11 A T - 0 0 130 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.460 42.0-120.2 -67.3 131.0 37.0 20.3 2.5 8 12 A A - 0 0 77 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.421 29.6-102.9 -73.4 147.3 36.2 17.9 -0.2 9 13 A P - 0 0 124 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.409 45.0-100.2 -66.8 146.9 35.7 19.2 -3.8 10 14 A A - 0 0 87 1,-0.1 6,-0.0 -3,-0.1 -3,-0.0 -0.394 39.6-103.6 -68.9 144.8 32.1 19.4 -4.9 11 15 A D > - 0 0 61 1,-0.1 4,-2.1 -2,-0.1 5,-0.3 -0.520 23.8-132.6 -69.7 131.0 30.8 16.6 -7.1 12 16 A P T 4 S+ 0 0 71 0, 0.0 359,-0.3 0, 0.0 -1,-0.1 0.785 103.0 24.0 -55.3 -28.9 30.6 17.8 -10.8 13 17 A I T >4 S+ 0 0 12 2,-0.1 3,-1.3 357,-0.1 4,-0.5 0.857 127.4 41.5-101.6 -58.5 27.1 16.3 -11.0 14 18 A L T >> S+ 0 0 100 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.783 104.6 68.7 -63.3 -26.9 25.7 16.0 -7.5 15 19 A G H 3X S+ 0 0 9 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.768 87.1 66.6 -63.7 -25.6 27.0 19.5 -6.6 16 20 A L H <> S+ 0 0 12 -3,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.839 92.2 61.8 -64.0 -32.3 24.6 21.1 -9.0 17 21 A A H <> S+ 0 0 25 -3,-1.0 4,-2.0 -4,-0.5 -1,-0.2 0.886 103.1 49.7 -60.7 -39.0 21.7 20.0 -6.8 18 22 A D H < S+ 0 0 105 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.885 110.1 49.5 -68.2 -39.4 23.2 22.1 -4.0 19 23 A L H >< S+ 0 0 78 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.870 108.7 54.7 -67.2 -36.9 23.5 25.2 -6.2 20 24 A L H >< S+ 0 0 21 -4,-2.3 3,-1.8 1,-0.3 2,-0.8 0.952 106.2 48.9 -61.8 -52.2 19.9 24.7 -7.3 21 25 A R T 3< S+ 0 0 190 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 -0.115 111.8 52.0 -82.5 40.2 18.4 24.7 -3.8 22 26 A A T < S+ 0 0 88 -3,-1.0 2,-0.7 -2,-0.8 -1,-0.3 0.165 88.7 92.6-150.0 0.4 20.4 27.8 -3.0 23 27 A D < - 0 0 21 -3,-1.8 5,-0.1 1,-0.2 -1,-0.1 -0.913 48.7-176.3-108.3 109.5 19.2 29.8 -6.0 24 28 A E + 0 0 180 -2,-0.7 -1,-0.2 -3,-0.1 4,-0.2 0.951 51.2 111.1 -67.1 -51.0 16.2 32.0 -5.3 25 29 A R - 0 0 78 2,-0.1 3,-0.4 1,-0.1 -2,-0.1 0.063 67.0-140.8 -30.3 98.3 15.9 33.2 -8.9 26 30 A P S S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.067 79.2 55.3 -61.5 168.0 12.6 31.4 -10.0 27 31 A G S S+ 0 0 70 1,-0.2 -2,-0.1 340,-0.0 0, 0.0 0.583 74.8 166.7 81.1 8.8 12.3 30.0 -13.5 28 32 A K - 0 0 74 -3,-0.4 2,-0.5 -4,-0.2 -1,-0.2 -0.189 26.1-146.7 -56.6 147.9 15.4 27.9 -13.0 29 33 A I E -a 367 0A 11 337,-2.9 339,-3.3 333,-0.1 2,-0.8 -0.967 4.6-155.6-126.2 116.6 16.0 25.1 -15.5 30 34 A D E +a 368 0A 75 -2,-0.5 339,-0.1 337,-0.2 337,-0.1 -0.810 31.1 151.3 -96.2 108.8 17.7 21.9 -14.3 31 35 A L + 0 0 2 337,-2.7 345,-1.6 -2,-0.8 339,-0.4 -0.115 52.7 91.2-122.6 32.4 19.5 20.0 -17.1 32 36 A G + 0 0 0 337,-0.2 338,-0.2 343,-0.2 -18,-0.1 0.807 66.4 45.8 -91.8 -99.3 22.1 18.5 -14.8 33 37 A M S S- 0 0 65 -20,-0.3 2,-2.1 1,-0.2 -1,-0.1 -0.145 89.7-105.0 -52.2 140.8 21.7 15.1 -13.1 34 38 A G + 0 0 10 -3,-0.0 2,-0.4 343,-0.0 -1,-0.2 -0.451 69.0 135.8 -73.5 76.7 20.4 12.3 -15.3 35 39 A V - 0 0 35 -2,-2.1 2,-0.2 312,-0.1 211,-0.1 -0.968 53.4-118.1-124.6 140.0 16.8 12.0 -14.1 36 40 A Y - 0 0 14 -2,-0.4 2,-0.3 210,-0.1 343,-0.1 -0.490 27.5-171.1 -76.4 144.2 13.8 11.7 -16.4 37 41 A N - 0 0 31 341,-1.0 6,-0.2 -2,-0.2 2,-0.1 -0.962 14.2-136.8-130.4 148.0 11.1 14.4 -16.3 38 42 A D > - 0 0 41 4,-2.4 3,-3.0 -2,-0.3 4,-0.1 -0.350 48.2 -73.0 -95.2-176.2 7.7 14.1 -18.0 39 43 A E T 3 S+ 0 0 74 1,-0.3 344,-0.3 2,-0.1 -1,-0.0 0.685 134.9 53.6 -49.4 -21.0 5.9 16.9 -19.9 40 44 A T T 3 S- 0 0 94 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.547 116.0-111.7 -93.4 -10.1 5.2 18.6 -16.6 41 45 A G S < S+ 0 0 34 -3,-3.0 2,-0.3 1,-0.4 -2,-0.1 0.729 79.1 122.9 84.9 20.3 8.8 18.7 -15.4 42 46 A K - 0 0 136 -4,-0.1 -4,-2.4 2,-0.0 -1,-0.4 -0.768 60.8-138.5-112.1 161.0 8.1 16.2 -12.7 43 47 A T - 0 0 65 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.1 -0.796 34.5-171.9-120.2 83.0 9.6 12.8 -12.0 44 48 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 -8,-0.1 -0.224 30.7 -99.9 -74.5 163.3 6.6 10.6 -11.1 45 49 A V - 0 0 69 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.692 48.5-107.8 -80.6 133.1 6.6 7.0 -9.8 46 50 A L > - 0 0 7 202,-0.4 4,-2.1 -2,-0.4 5,-0.1 -0.275 19.1-128.5 -59.6 150.9 5.8 4.7 -12.6 47 51 A T H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 111.0 54.6 -68.3 -42.5 2.3 3.2 -12.5 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 109.4 49.9 -56.3 -38.4 3.7 -0.3 -12.9 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 108.0 50.5 -68.4 -45.1 5.9 0.4 -9.9 50 54 A K H X S+ 0 0 120 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.913 110.7 50.9 -58.9 -41.8 3.0 1.7 -7.7 51 55 A K H X S+ 0 0 98 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.853 109.7 49.8 -64.4 -35.4 1.0 -1.4 -8.5 52 56 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.874 109.6 51.2 -71.3 -35.4 4.0 -3.6 -7.5 53 57 A E H X S+ 0 0 48 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.857 107.9 52.6 -68.3 -34.6 4.3 -1.7 -4.2 54 58 A Q H X S+ 0 0 101 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.941 110.2 49.0 -63.1 -47.2 0.6 -2.3 -3.6 55 59 A Y H X S+ 0 0 118 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.914 111.0 48.9 -59.0 -46.7 1.2 -6.0 -4.2 56 60 A L H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.860 107.9 54.5 -63.6 -36.6 4.2 -6.1 -1.8 57 61 A L H < S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 113.7 41.6 -65.3 -36.9 2.3 -4.3 0.9 58 62 A E H < S+ 0 0 136 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.785 126.2 31.8 -82.5 -27.3 -0.5 -6.8 0.8 59 63 A N H < S+ 0 0 86 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.633 84.3 106.3-109.5 -16.0 1.7 -9.9 0.5 60 64 A E < + 0 0 64 -4,-2.6 3,-0.1 -5,-0.2 -4,-0.0 -0.495 35.7 175.2 -66.6 129.7 5.0 -9.3 2.3 61 66 A T + 0 0 138 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.494 60.7 19.5-113.3 -6.1 5.1 -11.3 5.6 62 67 A T - 0 0 93 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.992 45.1-152.8-158.8 157.2 8.7 -10.6 6.8 63 68 A K + 0 0 164 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.089 48.5 149.2-115.5 16.6 11.6 -8.2 6.4 64 69 A N - 0 0 120 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.217 60.1 -77.5 -54.4 140.9 14.1 -10.9 7.4 65 70 A Y - 0 0 191 1,-0.1 2,-0.2 220,-0.0 -1,-0.1 0.043 42.0-135.5 -40.2 138.5 17.6 -10.5 5.8 66 71 A L - 0 0 49 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.481 39.9 -85.0 -87.0 168.2 18.0 -11.5 2.2 67 72 A G > - 0 0 44 3,-0.4 3,-2.1 -2,-0.2 -1,-0.2 -0.219 48.2 -95.3 -67.4 168.0 21.1 -13.6 1.3 68 73 A I T 3 S+ 0 0 53 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.852 127.4 48.8 -54.6 -36.0 24.2 -11.6 0.6 69 74 A D T 3 S- 0 0 46 1,-0.3 30,-2.8 29,-0.1 -1,-0.3 0.407 108.5-133.5 -86.9 2.3 23.5 -11.8 -3.2 70 75 A G < - 0 0 5 -3,-2.1 -3,-0.4 28,-0.2 -1,-0.3 -0.415 55.6 -0.2 87.4-159.4 19.9 -10.6 -2.8 71 76 A I > - 0 0 22 1,-0.1 4,-1.8 -2,-0.1 3,-0.2 -0.582 57.2-148.3 -74.9 119.5 16.6 -11.9 -4.3 72 77 A P H > S+ 0 0 72 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.890 97.3 52.2 -54.8 -44.5 17.2 -15.0 -6.5 73 78 A E H > S+ 0 0 84 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.898 106.3 55.7 -59.3 -41.5 14.3 -14.2 -8.9 74 79 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 107.8 48.6 -55.8 -45.9 15.8 -10.7 -9.3 75 80 A G H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.904 112.3 48.7 -62.6 -40.8 19.1 -12.2 -10.4 76 81 A R H X S+ 0 0 128 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.939 111.6 47.1 -65.2 -48.9 17.3 -14.5 -12.9 77 82 A C H X S+ 0 0 18 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.863 111.8 53.6 -60.8 -36.3 15.2 -11.8 -14.4 78 83 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.931 107.7 48.5 -64.4 -46.8 18.3 -9.7 -14.7 79 84 A Q H X>S+ 0 0 25 -4,-2.2 4,-2.7 1,-0.2 5,-0.5 0.871 111.1 50.7 -62.5 -37.5 20.3 -12.3 -16.5 80 85 A E H X5S+ 0 0 82 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.860 110.6 49.9 -67.8 -35.0 17.4 -12.9 -19.0 81 86 A L H <5S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 117.6 39.9 -70.1 -38.8 17.3 -9.2 -19.6 82 87 A L H <5S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.1 147,-0.2 0.953 131.1 19.3 -76.1 -53.2 21.0 -8.9 -20.3 83 88 A F H <5S- 0 0 10 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.632 110.1-100.8 -98.1 -16.5 21.8 -12.1 -22.2 84 89 A G ><< - 0 0 6 -4,-1.2 3,-2.0 -5,-0.5 6,-0.2 0.101 33.6 -82.7 104.7 141.3 18.5 -13.2 -23.7 85 90 A K T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.853 125.8 34.5 -41.9 -58.1 15.9 -15.9 -22.7 86 91 A G T 3 S+ 0 0 68 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 -0.011 86.5 152.6 -94.7 33.2 17.6 -18.8 -24.4 87 92 A S <> - 0 0 21 -3,-2.0 4,-2.0 1,-0.1 3,-0.3 -0.314 47.6-139.2 -65.2 142.2 21.1 -17.7 -23.8 88 93 A A H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 6,-0.2 0.821 101.8 64.5 -68.6 -32.3 23.8 -20.4 -23.5 89 94 A L H 4>S+ 0 0 6 1,-0.2 5,-2.7 2,-0.2 6,-0.6 0.876 107.9 41.2 -58.8 -39.1 25.4 -18.5 -20.6 90 95 A I H >45S+ 0 0 42 -3,-0.3 3,-1.7 3,-0.2 -2,-0.2 0.942 114.1 50.0 -74.6 -49.5 22.3 -19.1 -18.6 91 96 A N H 3<5S+ 0 0 116 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.874 113.8 46.0 -57.6 -39.6 21.8 -22.7 -19.6 92 97 A D T 3<5S- 0 0 98 -4,-2.9 173,-0.5 -5,-0.1 -1,-0.3 0.430 109.4-128.1 -83.6 2.4 25.4 -23.6 -18.9 93 98 A K T < 5 + 0 0 120 -3,-1.7 -3,-0.2 -5,-0.2 175,-0.1 0.898 61.7 141.8 51.5 48.1 25.0 -21.7 -15.6 94 99 A R < + 0 0 38 -5,-2.7 168,-2.0 -6,-0.2 2,-0.4 0.443 49.7 74.2 -95.5 -2.6 28.1 -19.6 -16.2 95 100 A A E -B 261 0B 6 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.929 53.5-173.7-120.9 139.7 26.7 -16.4 -14.7 96 101 A R E -B 260 0B 69 164,-2.5 164,-3.1 -2,-0.4 2,-0.4 -0.994 11.3-158.1-127.6 133.9 26.1 -15.4 -11.1 97 102 A T E -B 259 0B 11 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.946 5.9-162.6-120.8 130.2 24.4 -12.2 -10.2 98 103 A A E -B 258 0B 0 160,-2.3 160,-2.4 -2,-0.4 2,-0.3 -0.937 22.6-130.3-109.4 126.1 24.5 -10.2 -7.0 99 104 A Q E -B 257 0B 2 -30,-2.8 158,-0.3 -2,-0.5 156,-0.0 -0.591 37.6-175.8 -70.5 132.1 21.8 -7.7 -6.3 100 105 A T E -B 256 0B 0 156,-2.3 156,-1.8 -2,-0.3 2,-1.7 -0.791 38.2 -90.6-130.3 170.0 23.5 -4.4 -5.3 101 106 A P S > S- 0 0 33 0, 0.0 4,-1.0 0, 0.0 154,-0.3 -0.605 91.8 -46.6 -82.7 84.1 22.6 -0.9 -4.1 102 107 A G H > S- 0 0 0 -2,-1.7 4,-1.7 152,-0.4 154,-0.3 -0.023 78.2 -68.5 81.1 172.7 22.4 0.8 -7.5 103 108 A G H > S+ 0 0 8 152,-0.3 4,-2.1 2,-0.2 5,-0.2 0.849 134.9 56.4 -68.3 -33.4 24.6 0.7 -10.5 104 109 A T H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 105.5 51.5 -63.1 -43.0 27.2 2.6 -8.5 105 110 A G H X S+ 0 0 12 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.892 107.7 52.7 -59.3 -40.3 27.1 -0.1 -5.9 106 111 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.892 109.5 48.0 -63.2 -41.6 27.6 -2.7 -8.6 107 112 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.880 112.0 49.9 -67.3 -37.7 30.7 -0.9 -9.9 108 113 A R H X S+ 0 0 78 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.898 110.9 48.5 -67.2 -42.1 32.2 -0.6 -6.4 109 114 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.892 112.1 49.5 -65.7 -38.1 31.6 -4.3 -5.7 110 115 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.926 111.5 50.4 -66.1 -42.6 33.3 -5.2 -9.0 111 116 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.956 111.9 44.8 -59.8 -54.5 36.2 -2.9 -8.1 112 117 A D H X S+ 0 0 40 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.916 113.4 52.1 -56.4 -45.9 36.8 -4.3 -4.7 113 118 A F H X S+ 0 0 14 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.908 113.1 43.7 -56.1 -48.4 36.5 -7.9 -6.0 114 119 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 6,-0.3 0.894 110.4 55.4 -65.7 -44.4 39.0 -7.3 -8.8 115 120 A A H < S+ 0 0 39 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 119.2 29.2 -59.6 -42.4 41.5 -5.4 -6.6 116 121 A K H < S+ 0 0 140 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.466 127.2 39.1-103.3 2.8 41.9 -8.2 -4.0 117 122 A N H < S+ 0 0 54 -4,-1.0 2,-0.2 -3,-0.3 -3,-0.2 0.503 111.6 42.1-125.9 -9.3 41.2 -11.3 -6.0 118 123 A T S < S- 0 0 56 -4,-1.7 -1,-0.0 -5,-0.2 0, 0.0 -0.783 77.9-113.2-131.9 177.1 42.9 -10.8 -9.4 119 124 A S + 0 0 92 -2,-0.2 -4,-0.1 -3,-0.1 -5,-0.1 0.378 68.9 134.3 -91.5 3.3 46.1 -9.4 -10.8 120 125 A V + 0 0 14 -6,-0.3 -2,-0.1 1,-0.2 53,-0.1 -0.254 17.2 158.4 -55.8 135.6 44.2 -6.5 -12.4 121 126 A K + 0 0 133 1,-0.3 22,-2.2 51,-0.2 2,-0.4 0.522 56.2 51.8-132.0 -22.9 45.9 -3.2 -11.9 122 129 A R E -c 143 0B 18 50,-0.2 52,-2.4 20,-0.2 2,-0.4 -0.945 54.0-166.6-126.5 144.2 44.6 -1.0 -14.7 123 133 A V E -cd 144 174B 0 20,-2.2 22,-2.4 -2,-0.4 2,-0.5 -0.996 15.1-146.9-126.6 126.0 41.1 -0.1 -15.9 124 134 A W E -cd 145 175B 3 50,-3.0 52,-3.2 -2,-0.4 2,-0.3 -0.820 19.7-179.6 -97.0 131.3 40.6 1.6 -19.2 125 135 A V E -c 146 0B 7 20,-2.7 22,-2.1 -2,-0.5 52,-0.1 -0.924 30.0 -98.9-128.5 153.6 37.7 4.1 -19.5 126 136 A S E -c 147 0B 2 -2,-0.3 22,-0.2 20,-0.2 23,-0.1 -0.248 41.7 -99.4 -69.1 156.4 36.5 6.2 -22.5 127 137 A N E S+c 148 0B 80 20,-1.5 23,-1.6 1,-0.2 22,-0.7 -0.961 111.7 23.6-119.4 108.3 37.4 9.9 -22.9 128 138 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.597 90.4 147.3 -89.0 175.5 35.0 11.3 -21.9 129 139 A S - 0 0 21 -2,-0.1 -4,-0.0 -4,-0.1 5,-0.0 -0.913 59.0 -55.3-153.2 177.0 33.0 9.2 -19.4 130 140 A W > - 0 0 49 53,-0.5 3,-1.8 -2,-0.3 4,-0.5 -0.448 53.7-133.4 -59.0 124.9 30.8 9.4 -16.4 131 141 A P T 3> S+ 0 0 53 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.799 100.5 63.3 -55.1 -31.5 33.1 11.3 -13.9 132 142 A N H 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.638 85.8 76.9 -71.5 -13.1 32.4 8.9 -11.0 133 143 A H H <> S+ 0 0 1 -3,-1.8 4,-2.0 2,-0.2 5,-0.3 0.960 97.7 41.8 -60.5 -52.3 34.0 6.0 -13.0 134 144 A K H > S+ 0 0 101 -4,-0.5 4,-2.3 -3,-0.5 5,-0.2 0.914 114.9 53.0 -61.2 -42.5 37.6 7.2 -12.3 135 145 A S H X S+ 0 0 66 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.855 109.0 48.0 -62.2 -40.7 36.7 8.0 -8.7 136 146 A V H X S+ 0 0 10 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.947 115.1 42.7 -68.6 -49.4 35.2 4.5 -8.0 137 147 A F H ><>S+ 0 0 2 -4,-2.0 5,-2.3 1,-0.2 3,-0.6 0.886 113.3 52.6 -66.0 -37.4 38.1 2.5 -9.4 138 148 A N H ><5S+ 0 0 62 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 0.872 103.3 58.8 -63.9 -36.9 40.7 4.7 -7.9 139 149 A S H 3<5S+ 0 0 63 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 103.1 53.0 -63.7 -25.9 39.0 4.3 -4.5 140 150 A A T <<5S- 0 0 18 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.454 126.0-102.9 -87.6 -1.4 39.6 0.5 -4.8 141 151 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.650 79.0 132.5 90.1 16.6 43.3 1.1 -5.5 142 152 A L < - 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