==== 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 09-NOV-05 2D63 . 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) . 18441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 69.7 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 . 22 5.6 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 . 33 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 1 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 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 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 0 191 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.4 41.7 14.2 15.3 2 6 A F > + 0 0 165 1,-0.1 3,-1.3 2,-0.1 0, 0.0 0.389 360.0 104.2-101.3 3.0 39.6 16.0 12.7 3 7 A E T 3 S+ 0 0 154 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.875 87.0 34.9 -50.6 -48.9 41.2 19.4 13.1 4 8 A N T 3 S+ 0 0 158 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.299 81.1 133.0 -95.3 10.6 43.2 19.3 9.9 5 9 A I < - 0 0 119 -3,-1.3 2,-0.2 1,-0.1 -3,-0.0 -0.375 53.0-129.1 -62.5 137.5 40.8 17.5 7.6 6 10 A T - 0 0 119 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.616 22.8-101.2 -90.0 148.1 40.5 19.2 4.2 7 11 A T - 0 0 130 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.497 42.5-119.3 -67.7 126.7 37.2 20.2 2.6 8 12 A A - 0 0 80 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.383 29.1-106.7 -68.5 144.5 36.3 17.6 -0.1 9 13 A P - 0 0 125 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.421 41.2-101.0 -69.9 146.1 36.0 19.0 -3.6 10 14 A A - 0 0 89 1,-0.1 6,-0.0 -2,-0.1 4,-0.0 -0.347 34.3-110.3 -68.6 147.7 32.4 19.1 -5.0 11 15 A D > - 0 0 50 1,-0.1 4,-1.6 -3,-0.1 5,-0.2 -0.656 21.9-132.9 -78.7 130.7 31.2 16.4 -7.4 12 16 A P T 4 S+ 0 0 70 0, 0.0 359,-0.4 0, 0.0 -1,-0.1 0.730 100.3 21.6 -56.7 -24.6 30.8 17.8 -10.9 13 17 A I T >4 S+ 0 0 13 357,-0.1 3,-1.4 2,-0.1 4,-0.4 0.809 127.4 42.1-109.0 -56.7 27.4 16.2 -11.3 14 18 A L T >> S+ 0 0 104 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.791 107.4 65.6 -64.0 -27.0 25.9 15.4 -7.8 15 19 A G H 3X S+ 0 0 10 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.692 83.9 73.2 -68.9 -18.9 27.1 18.8 -6.6 16 20 A L H <> S+ 0 0 13 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.807 88.8 62.8 -64.3 -28.1 24.7 20.6 -9.0 17 21 A A H <> S+ 0 0 26 -3,-1.1 4,-1.6 -4,-0.4 -1,-0.2 0.923 102.3 48.3 -62.4 -45.2 21.9 19.5 -6.6 18 22 A D H X S+ 0 0 113 -4,-0.6 4,-2.1 -3,-0.2 -1,-0.2 0.915 111.8 48.9 -62.2 -45.0 23.4 21.5 -3.8 19 23 A L H X S+ 0 0 71 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.907 109.2 52.3 -61.9 -43.1 23.8 24.6 -6.0 20 24 A L H < S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 107.8 54.8 -60.7 -33.4 20.2 24.3 -7.2 21 25 A R H < S+ 0 0 203 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.946 110.5 43.0 -64.0 -51.6 19.2 24.2 -3.6 22 26 A A H < S+ 0 0 79 -4,-2.1 2,-0.5 -5,-0.1 -2,-0.2 0.825 89.4 99.2 -65.7 -35.0 20.9 27.4 -2.7 23 27 A D < - 0 0 20 -4,-2.3 5,-0.1 1,-0.2 -4,-0.0 -0.409 51.2-174.7 -60.4 110.6 19.7 29.2 -5.8 24 28 A E + 0 0 190 -2,-0.5 -1,-0.2 0, 0.0 -4,-0.0 0.581 42.2 120.9 -83.9 -11.5 16.7 31.2 -4.6 25 29 A R - 0 0 82 1,-0.1 3,-0.5 2,-0.1 -2,-0.0 -0.163 62.8-128.5 -56.5 147.3 15.8 32.5 -8.0 26 30 A P S S+ 0 0 132 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.995 90.6 35.9 -59.0 -83.3 12.3 31.6 -9.4 27 31 A G S S+ 0 0 66 2,-0.0 -2,-0.1 340,-0.0 2,-0.0 -0.256 74.3 163.2 -79.5 52.4 12.4 30.0 -12.9 28 32 A K - 0 0 73 -2,-1.6 2,-0.5 -3,-0.5 339,-0.2 -0.345 29.1-143.5 -66.5 149.0 15.6 27.9 -12.6 29 33 A I E -a 367 0A 14 337,-2.9 339,-3.1 336,-0.1 2,-0.9 -0.951 6.7-153.4-120.9 111.9 16.0 25.2 -15.2 30 34 A D E +a 368 0A 72 -2,-0.5 339,-0.1 337,-0.2 337,-0.1 -0.739 33.2 150.5 -89.2 103.7 17.6 22.0 -14.0 31 35 A L + 0 0 2 337,-2.2 345,-2.1 -2,-0.9 339,-0.4 -0.022 50.3 90.4-118.2 27.4 19.4 20.2 -16.9 32 36 A G + 0 0 0 337,-0.2 338,-0.2 343,-0.2 -18,-0.1 0.845 68.1 44.2 -88.1-100.9 22.0 18.6 -14.8 33 37 A M S S- 0 0 57 -20,-0.3 2,-1.8 1,-0.1 -1,-0.1 -0.151 88.7-108.6 -49.9 141.6 21.7 15.1 -13.1 34 38 A G + 0 0 12 -3,-0.0 2,-0.4 343,-0.0 -1,-0.1 -0.503 65.2 137.3 -80.0 76.9 20.3 12.6 -15.5 35 39 A V - 0 0 37 -2,-1.8 2,-0.2 312,-0.1 211,-0.1 -0.946 55.1-110.7-119.8 142.8 16.8 12.0 -14.1 36 40 A Y - 0 0 16 -2,-0.4 2,-0.3 210,-0.1 343,-0.1 -0.466 30.8-168.1 -73.2 141.0 13.7 11.6 -16.3 37 41 A N - 0 0 27 341,-1.1 6,-0.2 -2,-0.2 343,-0.1 -0.953 13.1-136.5-125.4 146.5 11.1 14.4 -16.1 38 42 A D > - 0 0 33 4,-2.5 3,-2.8 -2,-0.3 4,-0.1 -0.319 46.0 -79.3 -91.5-177.2 7.6 14.2 -17.6 39 43 A E T 3 S+ 0 0 91 1,-0.3 344,-0.3 2,-0.1 -1,-0.1 0.734 133.6 56.5 -53.9 -23.3 5.9 17.0 -19.6 40 44 A T T 3 S- 0 0 94 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.506 117.7-112.3 -88.2 -5.7 5.1 18.6 -16.3 41 45 A G S < S+ 0 0 33 -3,-2.8 2,-0.3 1,-0.3 -2,-0.1 0.766 78.2 123.5 79.9 24.4 8.8 18.7 -15.3 42 46 A K - 0 0 124 -4,-0.1 -4,-2.5 0, 0.0 -1,-0.3 -0.816 63.1-133.0-116.1 157.5 8.2 16.2 -12.5 43 47 A T - 0 0 65 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.797 38.0-169.8-111.0 86.5 9.9 12.9 -11.9 44 48 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.215 27.5-105.8 -75.7 163.6 6.9 10.6 -11.2 45 49 A V - 0 0 70 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.772 45.9-109.0 -86.9 130.3 6.8 7.0 -9.8 46 50 A L > - 0 0 9 -2,-0.5 4,-1.9 202,-0.4 5,-0.1 -0.218 18.2-127.4 -57.7 151.6 5.9 4.7 -12.7 47 51 A T H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.904 111.3 55.7 -68.6 -40.6 2.4 3.2 -12.5 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 108.3 50.0 -57.6 -38.0 3.8 -0.3 -12.8 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.910 108.1 50.9 -67.9 -44.5 6.0 0.4 -9.8 50 54 A K H X S+ 0 0 124 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.911 111.0 49.5 -60.2 -41.1 3.1 1.7 -7.7 51 55 A K H X S+ 0 0 104 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.898 111.2 49.1 -65.3 -39.5 1.1 -1.5 -8.5 52 56 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.933 109.6 51.1 -65.0 -44.1 4.1 -3.6 -7.5 53 57 A E H X S+ 0 0 49 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.830 108.6 53.2 -61.9 -31.4 4.5 -1.7 -4.3 54 58 A Q H X S+ 0 0 104 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.952 108.3 49.8 -65.5 -50.4 0.8 -2.3 -3.6 55 59 A Y H X S+ 0 0 118 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.917 111.4 48.2 -54.2 -48.4 1.4 -6.0 -4.2 56 60 A L H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.878 106.9 56.4 -62.9 -38.7 4.3 -6.1 -1.8 57 61 A L H < S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.0 40.1 -60.4 -39.1 2.4 -4.2 0.9 58 62 A E H < S+ 0 0 131 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.819 126.6 31.2 -81.4 -31.7 -0.3 -6.9 0.9 59 63 A N H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.703 84.0 106.1-104.4 -21.7 1.9 -10.0 0.5 60 64 A E < + 0 0 64 -4,-2.8 3,-0.1 -5,-0.2 -4,-0.0 -0.416 35.5 174.5 -61.8 130.3 5.2 -9.3 2.3 61 66 A T + 0 0 140 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.441 61.0 21.2-115.8 -4.5 5.3 -11.3 5.6 62 67 A T - 0 0 94 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.989 44.6-154.5-158.7 159.8 8.8 -10.6 6.7 63 68 A K + 0 0 161 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.010 47.0 152.5-120.8 19.1 11.8 -8.2 6.3 64 69 A N - 0 0 121 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.190 58.5 -77.7 -53.0 144.4 14.3 -10.9 7.3 65 70 A Y - 0 0 199 1,-0.1 2,-0.1 220,-0.0 -1,-0.1 -0.017 44.0-133.2 -43.8 140.7 17.8 -10.5 5.8 66 71 A L - 0 0 48 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.457 37.9 -86.1 -87.4 170.0 18.2 -11.5 2.2 67 72 A G > - 0 0 43 3,-0.5 3,-2.0 -2,-0.1 -1,-0.2 -0.278 48.2 -96.8 -69.5 166.9 21.2 -13.6 1.2 68 73 A I T 3 S+ 0 0 47 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.852 127.0 48.7 -54.5 -37.1 24.5 -11.7 0.5 69 74 A D T 3 S- 0 0 49 1,-0.3 30,-2.5 29,-0.1 -1,-0.3 0.389 109.8-131.2 -87.0 5.0 23.7 -11.8 -3.2 70 75 A G < - 0 0 6 -3,-2.0 -3,-0.5 28,-0.2 -1,-0.3 -0.431 56.8 -1.4 87.4-159.2 20.1 -10.6 -2.8 71 76 A I > - 0 0 25 1,-0.1 4,-1.8 -2,-0.1 3,-0.2 -0.602 56.7-147.4 -75.9 118.3 16.8 -11.9 -4.3 72 77 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.877 98.6 53.4 -52.8 -42.5 17.4 -15.0 -6.5 73 78 A E H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.916 105.5 54.5 -59.5 -45.1 14.5 -14.1 -8.8 74 79 A F H > S+ 0 0 1 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 108.1 50.6 -54.2 -46.0 15.9 -10.6 -9.3 75 80 A G H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.910 111.1 46.6 -60.6 -45.4 19.2 -12.2 -10.4 76 81 A R H X S+ 0 0 127 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.925 112.6 48.7 -65.1 -45.6 17.6 -14.5 -12.9 77 82 A C H X S+ 0 0 21 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.864 110.6 53.5 -62.3 -34.1 15.4 -11.8 -14.4 78 83 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.906 107.9 48.8 -67.4 -41.9 18.5 -9.6 -14.7 79 84 A Q H X>S+ 0 0 24 -4,-2.0 4,-2.8 2,-0.2 5,-0.6 0.872 110.5 50.8 -67.0 -36.7 20.5 -12.3 -16.6 80 85 A E H X5S+ 0 0 75 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.917 109.9 50.4 -66.3 -41.3 17.6 -12.8 -19.0 81 86 A L H <5S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 118.2 39.6 -62.2 -40.5 17.3 -9.1 -19.7 82 87 A L H <5S+ 0 0 2 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.948 131.2 19.1 -76.6 -52.4 21.1 -8.9 -20.3 83 88 A F H <5S- 0 0 12 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.652 112.6 -94.0 -98.2 -17.7 21.9 -12.0 -22.3 84 89 A G ><< - 0 0 8 -4,-1.7 3,-2.6 -5,-0.6 6,-0.2 0.140 35.3 -88.6 108.4 134.4 18.6 -13.2 -23.7 85 90 A K T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.771 126.2 35.1 -42.1 -42.4 16.0 -15.7 -22.4 86 91 A G T 3 S+ 0 0 65 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.065 86.0 151.8-106.8 27.6 17.6 -18.7 -24.1 87 92 A S <> - 0 0 25 -3,-2.6 4,-1.9 1,-0.1 3,-0.3 -0.200 50.1-134.7 -59.4 144.5 21.2 -17.6 -23.7 88 93 A A H > S+ 0 0 56 1,-0.2 4,-3.1 2,-0.2 6,-0.2 0.835 104.7 64.8 -67.4 -33.0 23.9 -20.3 -23.5 89 94 A L H 4>S+ 0 0 4 1,-0.2 5,-2.6 2,-0.2 6,-0.6 0.871 106.4 42.6 -57.9 -38.6 25.5 -18.4 -20.6 90 95 A I H >45S+ 0 0 42 -3,-0.3 3,-1.4 -6,-0.2 -2,-0.2 0.933 114.7 48.8 -74.4 -46.4 22.4 -19.1 -18.5 91 96 A N H 3<5S+ 0 0 107 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.877 113.9 45.7 -61.7 -39.4 22.0 -22.7 -19.6 92 97 A D T 3<5S- 0 0 99 -4,-3.1 173,-0.4 -5,-0.1 -1,-0.3 0.384 108.8-127.4 -84.9 5.3 25.6 -23.5 -18.9 93 98 A K T < 5 + 0 0 142 -3,-1.4 -3,-0.2 -5,-0.2 175,-0.1 0.898 61.8 142.8 49.7 48.6 25.3 -21.7 -15.6 94 99 A R < + 0 0 40 -5,-2.6 168,-2.1 -6,-0.2 2,-0.4 0.424 50.7 71.3 -96.0 -0.4 28.4 -19.6 -16.4 95 100 A A E -B 261 0B 6 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.942 53.2-173.9-125.3 142.0 27.0 -16.4 -14.8 96 101 A R E -B 260 0B 74 164,-2.5 164,-3.2 -2,-0.4 2,-0.4 -0.988 11.8-157.2-129.0 138.7 26.3 -15.3 -11.2 97 102 A T E -B 259 0B 12 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.966 5.5-162.6-124.8 131.7 24.5 -12.1 -10.2 98 103 A A E -B 258 0B 0 160,-2.5 160,-2.4 -2,-0.4 2,-0.3 -0.932 23.2-129.3-109.8 130.0 24.7 -10.2 -7.0 99 104 A Q E -B 257 0B 2 -30,-2.5 158,-0.3 -2,-0.5 156,-0.0 -0.631 37.6-173.9 -74.4 132.3 22.0 -7.6 -6.3 100 105 A T E -B 256 0B 1 156,-2.2 2,-1.9 -2,-0.3 156,-1.9 -0.849 38.0 -93.2-130.2 164.9 23.6 -4.3 -5.4 101 106 A P E > S-B 255 0B 33 0, 0.0 4,-0.9 0, 0.0 154,-0.3 -0.559 93.7 -44.7 -77.8 85.2 22.8 -0.8 -4.1 102 107 A G H > S- 0 0 0 -2,-1.9 4,-1.6 152,-0.6 154,-0.3 0.055 77.6 -72.6 78.4 168.3 22.5 0.8 -7.5 103 108 A G H > S+ 0 0 8 152,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.852 134.1 57.6 -66.5 -33.5 24.8 0.5 -10.6 104 109 A T H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 105.2 50.8 -62.8 -40.4 27.3 2.6 -8.7 105 110 A G H X S+ 0 0 14 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.877 108.0 53.0 -62.9 -37.3 27.3 0.0 -5.9 106 111 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.879 107.2 51.9 -64.6 -39.4 27.9 -2.7 -8.6 107 112 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.891 110.4 47.9 -64.5 -41.6 30.9 -0.8 -9.9 108 113 A R H X S+ 0 0 91 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.904 111.5 49.7 -66.0 -43.2 32.4 -0.5 -6.4 109 114 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.931 112.0 48.8 -62.2 -43.9 31.9 -4.2 -5.7 110 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.926 112.7 48.8 -60.4 -44.5 33.5 -5.1 -9.0 111 116 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.918 112.2 46.0 -62.5 -47.2 36.4 -2.8 -8.3 112 117 A D H X S+ 0 0 36 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.916 113.9 51.3 -62.1 -42.1 37.0 -4.2 -4.8 113 118 A F H X S+ 0 0 14 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.938 113.3 43.2 -59.5 -51.0 36.7 -7.7 -6.2 114 119 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 6,-0.3 0.933 112.1 53.0 -62.1 -48.4 39.2 -7.1 -9.0 115 120 A A H < S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 119.0 33.6 -58.4 -36.7 41.7 -5.3 -6.8 116 121 A K H < S+ 0 0 169 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.738 126.8 34.2 -94.8 -23.7 41.9 -8.0 -4.1 117 122 A N H < S+ 0 0 64 -4,-2.1 2,-0.2 -5,-0.2 -3,-0.2 0.500 111.6 45.5-113.2 -4.4 41.4 -11.2 -6.2 118 123 A T S < S- 0 0 55 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.754 77.9-112.8-130.9 178.8 43.1 -10.6 -9.6 119 124 A S + 0 0 91 -2,-0.2 -4,-0.1 53,-0.0 -5,-0.1 0.433 68.3 136.0 -90.9 -1.6 46.3 -9.2 -11.1 120 125 A V + 0 0 9 -6,-0.3 -2,-0.1 1,-0.2 53,-0.1 -0.181 17.2 159.6 -49.6 132.9 44.3 -6.4 -12.6 121 126 A K + 0 0 135 1,-0.3 22,-2.1 51,-0.2 2,-0.4 0.545 56.7 47.7-129.1 -24.2 46.2 -3.1 -12.2 122 129 A R E -c 143 0B 34 50,-0.2 52,-2.3 20,-0.2 2,-0.4 -0.955 53.9-164.5-129.1 145.7 44.6 -0.8 -14.8 123 133 A V E -cd 144 174B 0 20,-2.4 22,-2.5 -2,-0.4 2,-0.5 -0.992 15.5-146.3-125.2 128.7 41.2 0.1 -16.0 124 134 A W E +cd 145 175B 2 50,-3.2 52,-3.3 -2,-0.4 2,-0.3 -0.853 20.1 178.6-100.4 126.9 40.6 1.8 -19.4 125 135 A V E -c 146 0B 5 20,-2.7 22,-2.0 -2,-0.5 52,-0.1 -0.865 30.2 -98.3-122.4 158.2 37.7 4.3 -19.7 126 136 A S E -c 147 0B 0 -2,-0.3 22,-0.2 50,-0.2 23,-0.1 -0.243 40.9 -95.7 -74.2 161.5 36.6 6.4 -22.6 127 137 A N E S+c 148 0B 75 20,-1.4 23,-1.7 1,-0.1 22,-0.6 -0.975 114.4 23.3-122.3 113.7 37.4 10.1 -23.2 128 138 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.635 96.0 161.3 -83.3 172.3 35.2 11.7 -22.2 129 139 A S - 0 0 24 -2,-0.1 -2,-0.0 -4,-0.1 -4,-0.0 -0.851 50.2 -68.9-142.1 179.5 33.6 9.5 -19.6 130 140 A W >> - 0 0 45 53,-0.3 3,-2.0 -2,-0.3 4,-0.5 -0.621 48.7-135.0 -71.6 120.0 31.3 9.5 -16.7 131 141 A P H >> S+ 0 0 53 0, 0.0 4,-1.2 0, 0.0 3,-0.5 0.788 98.7 61.6 -49.7 -35.5 33.4 11.2 -14.0 132 142 A N H 3> S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.682 88.2 75.3 -69.9 -14.8 32.6 8.8 -11.1 133 143 A H H <> S+ 0 0 0 -3,-2.0 4,-2.0 2,-0.2 5,-0.3 0.963 100.1 40.3 -59.6 -51.7 34.2 6.0 -13.1 134 144 A K H <>S+ 0 0 0 -4,-2.0 5,-2.2 -5,-0.2 3,-0.7 0.885 112.0 55.9 -67.3 -36.8 38.2 2.5 -9.4 138 148 A N H ><5S+ 0 0 76 -4,-2.5 3,-1.7 -5,-0.3 -1,-0.2 0.870 101.6 57.7 -61.7 -37.0 40.8 4.9 -7.9 139 149 A S H 3<5S+ 0 0 66 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 103.4 53.6 -64.9 -25.9 39.3 4.3 -4.5 140 150 A A T <<5S- 0 0 20 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.404 124.5-104.5 -87.3 1.1 39.9 0.6 -4.9 141 151 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.624 78.8 131.7 87.0 13.9 43.6 1.3 -5.7 142 152 A L < - 0 0 6 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.803 54.0-127.3-100.5 140.2 43.3 0.7 -9.4 143 154 A E E -c 122 0B 103 -22,-2.1 -20,-2.4 -2,-0.4 2,-0.4 -0.626 18.9-142.9 -87.3 146.6 44.8 3.1 -11.9 144 155 A V E -c 123 0B 30 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.917 15.6-174.7-112.6 133.4 42.6 4.5 -14.7 145 156 A R E -c 124 0B 71 -22,-2.5 -20,-2.7 -2,-0.4 2,-0.3 -0.915 18.9-129.5-122.8 150.2 43.8 5.2 -18.3 146 157 A E E -c 125 0B 109 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.768 12.2-159.4-105.3 146.8 41.8 6.9 -21.0 147 158 A Y E -c 126 0B 2 -22,-2.0 -20,-1.4 -2,-0.3 15,-0.1 -0.958 33.3 -99.7-122.3 140.9 41.2 5.8 -24.6 148 159 A A E +c 127 0B 29 13,-0.4 18,-0.1 -2,-0.4 17,-0.1 -0.179 57.0 141.2 -54.7 149.6 40.1 8.1 -27.5 149 160 A Y + 0 0 14 -22,-0.6 9,-2.4 1,-0.4 2,-0.3 0.343 45.7 58.1-153.8 -60.5 36.4 7.9 -28.3 150 161 A Y E -H 157 0C 30 -23,-1.7 2,-0.9 7,-0.2 -1,-0.4 -0.708 59.3-146.1 -94.1 137.7 34.6 11.2 -29.2 151 162 A D E >> -H 156 0C 35 5,-2.9 4,-1.8 -2,-0.3 5,-1.0 -0.859 11.5-166.5-101.3 97.8 35.6 13.4 -32.1 152 163 A A T 45S+ 0 0 73 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.753 84.5 51.5 -56.0 -28.3 34.7 16.9 -30.8 153 164 A E T 45S+ 0 0 176 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.896 121.3 28.0 -79.4 -41.6 35.0 18.4 -34.3 154 165 A N T 45S- 0 0 113 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.434 98.8-129.3 -99.8 -0.1 32.8 16.0 -36.2 155 166 A H T <5S+ 0 0 57 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.905 71.8 102.5 54.3 45.3 30.5 15.1 -33.2 156 167 A T E + 0 0 51 -9,-2.4 4,-2.3 -2,-0.6 3,-0.3 -0.660 22.5 175.6 -90.8 80.6 36.4 8.3 -33.9 159 170 A F H > S+ 0 0 40 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.827 75.0 54.7 -56.2 -36.6 36.7 4.5 -34.3 160 171 A D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 109.8 45.8 -66.2 -42.1 40.2 4.7 -35.7 161 172 A A H > S+ 0 0 24 -3,-0.3 4,-2.4 2,-0.2 -13,-0.4 0.893 110.3 56.4 -67.0 -38.6 41.5 6.7 -32.7 162 173 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.969 109.2 43.8 -56.3 -58.1 39.7 4.3 -30.4 163 174 A I H X S+ 0 0 34 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.927 115.1 48.8 -53.8 -50.6 41.5 1.2 -31.7 164 175 A N H < S+ 0 0 113 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.842 110.0 52.3 -61.0 -34.1 44.9 3.0 -31.8 165 176 A S H >< S+ 0 0 31 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.930 109.8 49.3 -66.4 -45.1 44.4 4.2 -28.2 166 177 A L H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.576 88.3 80.7 -72.1 -12.3 43.6 0.7 -27.0 167 178 A N T 3< S+ 0 0 73 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 0.709 87.5 60.8 -67.5 -15.9 46.6 -0.9 -28.7 168 179 A E T < S+ 0 0 119 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.3 0.457 83.6 102.2 -86.9 -1.9 48.5 0.4 -25.6 169 180 A A < - 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0 0 58 0, 0.0 4,-0.7 0, 0.0 -187,-0.0 -0.516 33.4-153.5 -71.2 128.8 18.1 -3.4 0.2 288 300 A A H > S+ 0 0 35 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 0.881 75.5 67.8 -72.0 -45.0 15.0 -5.5 -0.6 289 301 A H H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 102.1 43.0 -46.8 -59.3 12.3 -3.0 -1.6 290 302 A G H > S+ 0 0 1 -37,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.925 118.5 43.1 -55.9 -51.4 13.7 -1.7 -4.9 291 303 A A H X S+ 0 0 1 -4,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.825 110.8 56.7 -66.2 -32.8 14.8 -5.1 -6.2 292 304 A S H X S+ 0 0 16 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.893 105.9 51.2 -65.2 -39.2 11.6 -6.7 -5.1 293 305 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.941 111.9 46.9 -61.6 -47.5 9.6 -4.2 -7.1 294 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.928 113.3 47.0 -61.5 -47.3 11.8 -5.0 -10.2 295 307 A A H X S+ 0 0 7 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.890 111.5 52.0 -63.2 -39.7 11.5 -8.8 -9.8 296 308 A T H < S+ 0 0 23 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.926 113.3 44.0 -62.0 -46.1 7.7 -8.5 -9.3 297 309 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 7,-0.4 0.940 114.7 47.2 -65.1 -49.9 7.2 -6.5 -12.4 298 310 A L H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.762 113.1 48.7 -66.6 -25.8 9.5 -8.6 -14.7 299 311 A S T 3< S+ 0 0 84 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 0.372 99.8 75.4 -96.9 6.0 8.0 -11.9 -13.6 300 312 A N <> - 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