==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JAN-05 1YIZ . COMPND 2 MOLECULE: KYNURENINE AMINOTRANSFERASE; GLUTAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; . AUTHOR Q.HAN,Y.G.GAO,H.ROBINSON,H.DING,S.WILSON,J.LI . 836 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 53 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 1 0 4 0 0 0 2 6 2 4 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 4 2 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 PARALLEL BRIDGES PER LADDER . 6 1 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 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 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 12 A K 0 0 228 0, 0.0 2,-0.3 0, 0.0 679,-0.0 0.000 360.0 360.0 360.0 122.5 37.3 -0.0 -3.2 2 13 A F - 0 0 56 1,-0.1 681,-0.0 0, 0.0 679,-0.0 -0.616 360.0-152.3 -79.7 133.3 33.7 -0.1 -1.9 3 14 A D - 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.313 54.4 -21.5 -77.1-153.4 31.6 2.9 -3.0 4 15 A L S S- 0 0 83 1,-0.1 -1,-0.2 6,-0.0 680,-0.1 -0.110 72.1-111.1 -51.0 157.3 28.6 4.4 -1.1 5 16 A P S S- 0 0 14 0, 0.0 -2,-0.1 0, 0.0 679,-0.1 0.993 74.5 -59.4 -56.1 -68.5 27.0 1.9 1.3 6 17 A K S S- 0 0 27 524,-0.1 3,-0.1 678,-0.1 524,-0.0 -0.193 101.6 -34.9 178.0 75.0 23.8 1.4 -0.7 7 18 A R S S+ 0 0 192 1,-0.3 2,-0.2 524,-0.1 -3,-0.0 0.753 108.8 126.3 71.8 24.3 21.6 4.4 -1.3 8 19 A Y - 0 0 25 520,-0.1 2,-0.8 0, 0.0 -1,-0.3 -0.711 68.8-105.0-113.1 160.8 22.7 5.7 2.1 9 20 A Q - 0 0 35 -2,-0.2 2,-1.7 120,-0.2 124,-0.1 -0.778 22.8-146.5 -91.5 108.6 24.2 8.9 3.3 10 21 A G - 0 0 22 -2,-0.8 2,-1.6 1,-0.1 3,-0.5 -0.573 15.7-170.0 -71.7 90.9 27.9 8.5 4.1 11 22 A S > + 0 0 17 -2,-1.7 3,-1.5 1,-0.2 -1,-0.1 -0.221 41.3 132.0 -83.0 49.9 27.9 11.0 7.0 12 23 A T T 3 + 0 0 95 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.593 60.0 76.6 -72.4 -11.7 31.7 11.0 7.2 13 24 A K T 3 + 0 0 118 -3,-0.5 -1,-0.3 4,-0.1 2,-0.2 0.426 63.1 140.0 -78.0 2.8 31.3 14.7 7.2 14 25 A S X> - 0 0 6 -3,-1.5 3,-0.9 1,-0.2 4,-0.7 -0.359 50.2-146.4 -49.1 110.6 30.3 14.2 10.9 15 26 A V H 3> S+ 0 0 0 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.712 86.2 71.1 -57.9 -32.2 32.1 17.2 12.4 16 27 A W H 3> S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.910 94.3 54.3 -58.1 -41.7 33.0 15.6 15.7 17 28 A V H <> S+ 0 0 56 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.937 111.3 41.6 -61.7 -48.5 35.6 13.2 14.2 18 29 A E H X S+ 0 0 59 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.828 116.9 49.4 -70.7 -26.8 37.7 15.8 12.5 19 30 A Y H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.844 108.7 52.0 -80.6 -32.5 37.4 18.2 15.5 20 31 A I H X S+ 0 0 86 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.924 112.2 47.2 -63.9 -42.3 38.4 15.5 17.9 21 32 A Q H X S+ 0 0 130 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.889 110.3 52.9 -63.6 -41.1 41.4 14.8 15.7 22 33 A L H X S+ 0 0 14 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.934 109.0 49.1 -60.6 -46.0 42.2 18.5 15.6 23 34 A A H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.892 110.1 50.5 -65.6 -37.9 42.1 18.8 19.4 24 35 A A H < S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.7 48.0 -64.7 -36.1 44.4 15.8 19.9 25 36 A Q H < S+ 0 0 144 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.869 127.7 21.7 -77.8 -32.4 46.9 17.2 17.4 26 37 A Y H < S- 0 0 112 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.577 86.7-145.1-109.8 -9.5 47.1 20.8 18.8 27 38 A K < + 0 0 179 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.922 34.8 173.9 42.9 58.3 45.9 20.2 22.4 28 39 A P - 0 0 21 0, 0.0 2,-1.0 0, 0.0 344,-0.2 -0.291 49.8 -78.8 -81.1 174.1 44.1 23.6 22.6 29 40 A L E -a 372 0A 24 342,-3.5 344,-2.5 338,-0.1 2,-0.7 -0.696 62.3-136.5 -66.9 107.6 41.9 24.9 25.4 30 41 A N E +a 373 0A 36 -2,-1.0 3,-0.2 342,-0.2 344,-0.1 -0.631 46.0 156.0 -87.0 111.3 38.9 22.9 24.3 31 42 A L + 0 0 0 342,-1.9 365,-2.0 -2,-0.7 344,-0.2 0.064 67.6 73.4-111.3 18.8 35.5 24.6 24.3 32 43 A G + 0 0 8 342,-0.2 -1,-0.1 363,-0.2 342,-0.1 0.434 63.4 95.5-111.7 -0.6 34.1 22.2 21.7 33 44 A Q S S- 0 0 59 -3,-0.2 -2,-0.1 340,-0.1 -1,-0.1 0.939 71.8-140.1 -62.8 -57.3 33.6 19.0 23.6 34 45 A G S S+ 0 0 6 1,-0.4 -1,-0.1 301,-0.1 447,-0.1 0.561 72.5 70.2 101.2 20.3 29.9 19.2 24.6 35 46 A F S S- 0 0 18 363,-0.1 -1,-0.4 300,-0.1 -2,-0.1 -0.963 91.6 -79.7-153.7 162.8 30.2 17.7 28.2 36 47 A P - 0 0 3 0, 0.0 363,-0.2 0, 0.0 4,-0.1 -0.395 22.1-146.1 -70.0 149.1 31.7 18.9 31.5 37 48 A D S S+ 0 0 18 361,-0.6 2,-0.2 2,-0.1 362,-0.1 0.130 84.6 54.4 -98.1 19.7 35.5 18.6 32.0 38 49 A Y S S- 0 0 48 360,-0.2 2,-0.2 438,-0.1 437,-0.0 -0.762 99.8 -63.1-137.7-174.0 34.8 17.9 35.7 39 50 A H - 0 0 92 -2,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.449 37.6-131.4 -88.3 147.0 32.8 15.3 37.6 40 51 A A - 0 0 10 1,-0.2 207,-0.1 -2,-0.2 5,-0.1 -0.234 59.3 -49.0 -77.4 169.9 29.0 14.7 37.7 41 52 A P >> - 0 0 23 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.149 51.4-134.9 -46.8 126.8 27.0 14.3 41.0 42 53 A K H 3> S+ 0 0 128 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.807 100.7 63.6 -57.1 -34.5 28.7 11.8 43.2 43 54 A Y H 3> S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.829 104.2 48.9 -59.6 -36.0 25.5 10.0 44.1 44 55 A A H <> S+ 0 0 2 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.955 113.3 43.7 -70.4 -51.9 25.1 9.0 40.4 45 56 A L H X S+ 0 0 13 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.929 113.5 52.6 -55.8 -45.3 28.7 7.7 40.0 46 57 A N H X S+ 0 0 67 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.890 105.0 57.0 -61.1 -32.8 28.4 6.0 43.3 47 58 A A H X S+ 0 0 12 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.878 105.5 49.2 -65.0 -40.1 25.2 4.3 42.0 48 59 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.948 110.6 50.2 -63.9 -47.5 27.0 2.9 39.0 49 60 A A H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.934 109.9 51.1 -56.9 -43.3 29.7 1.5 41.2 50 61 A A H < S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 108.5 51.6 -64.6 -35.1 27.1 -0.1 43.5 51 62 A A H >< S+ 0 0 6 -4,-1.8 3,-1.0 2,-0.2 -1,-0.2 0.885 109.5 49.2 -67.9 -39.4 25.4 -1.7 40.5 52 63 A A H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 118.1 41.2 -64.6 -34.7 28.7 -3.2 39.4 53 64 A N T 3< S+ 0 0 92 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.210 86.7 141.0 -97.4 13.2 29.3 -4.5 42.9 54 65 A S < - 0 0 25 -3,-1.0 5,-0.1 1,-0.2 6,-0.1 -0.239 54.5-139.0 -63.2 143.0 25.7 -5.6 43.5 55 66 A P S S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 403,-0.1 0.573 84.5 91.9 -73.0 -7.0 25.1 -8.9 45.4 56 67 A D > - 0 0 78 1,-0.2 3,-2.1 -5,-0.1 4,-0.3 -0.802 67.4-156.6 -90.9 116.5 22.3 -9.6 42.9 57 68 A P G > S+ 0 0 31 0, 0.0 3,-1.1 0, 0.0 400,-0.2 0.822 93.4 61.9 -63.2 -26.4 23.7 -11.6 40.0 58 69 A L G > S+ 0 0 81 1,-0.2 3,-1.1 2,-0.2 -2,-0.0 0.563 80.0 87.2 -77.1 -3.5 20.8 -10.3 37.8 59 70 A A G < S+ 0 0 20 -3,-2.1 -1,-0.2 1,-0.3 224,-0.2 0.775 99.8 32.5 -63.2 -27.5 22.1 -6.7 38.4 60 71 A N G < S+ 0 0 4 -3,-1.1 609,-2.1 -4,-0.3 610,-0.4 0.105 106.2 87.5-120.6 22.4 24.4 -7.2 35.4 61 72 A Q S < S- 0 0 3 -3,-1.1 393,-0.1 607,-0.3 606,-0.0 -0.717 93.0 -52.1-111.7 171.8 22.3 -9.5 33.2 62 73 A Y - 0 0 48 -2,-0.2 2,-0.2 391,-0.1 -1,-0.2 0.017 55.6-156.3 -43.2 134.3 19.6 -8.7 30.6 63 74 A T - 0 0 19 214,-0.4 5,-0.1 605,-0.2 -1,-0.1 -0.727 38.8 -66.0-115.5 171.4 16.9 -6.4 31.7 64 75 A R - 0 0 44 -2,-0.2 4,-0.1 3,-0.2 375,-0.1 0.609 54.6-127.5 -23.9 -87.5 13.3 -6.0 30.4 65 76 A G S S+ 0 0 1 374,-0.0 3,-0.2 371,-0.0 -1,-0.1 -0.269 99.4 50.4 166.3 -57.7 13.6 -4.6 26.9 66 77 A F S S- 0 0 27 1,-0.3 29,-2.6 210,-0.1 2,-0.1 0.476 132.2 -42.0 -78.7 -4.2 11.4 -1.5 26.7 67 78 A G - 0 0 2 27,-0.2 -1,-0.3 210,-0.1 -3,-0.2 -0.392 67.7 -77.7 144.5 139.9 13.2 -0.3 29.8 68 79 A H >> - 0 0 28 -3,-0.2 4,-2.7 1,-0.1 3,-1.0 -0.371 44.2-130.6 -53.3 124.5 14.5 -1.4 33.2 69 80 A P H 3> S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.894 106.7 51.7 -51.8 -43.6 11.4 -1.5 35.5 70 81 A R H 3> S+ 0 0 92 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.839 114.5 44.9 -64.6 -28.6 13.1 0.5 38.3 71 82 A L H <> S+ 0 0 0 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.917 112.2 47.4 -77.1 -50.0 13.9 3.2 35.7 72 83 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.880 110.8 54.5 -66.6 -31.4 10.6 3.4 33.8 73 84 A Q H X S+ 0 0 99 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.947 112.3 42.7 -60.0 -48.5 8.8 3.6 37.2 74 85 A A H X S+ 0 0 7 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.888 112.9 53.5 -66.4 -40.7 10.9 6.6 38.2 75 86 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 5,-0.4 0.934 110.3 46.3 -58.0 -50.2 10.6 8.2 34.8 76 87 A S H X S+ 0 0 15 -4,-2.7 4,-2.3 -5,-0.2 11,-0.4 0.916 110.7 54.6 -62.3 -38.7 6.8 7.9 34.9 77 88 A K H X S+ 0 0 124 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.920 114.4 39.3 -60.1 -44.8 6.8 9.3 38.5 78 89 A L H >X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 3,-0.7 0.980 120.5 40.5 -68.7 -59.6 8.8 12.4 37.5 79 90 A Y H 3X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.808 105.3 66.8 -67.9 -27.1 7.2 13.2 34.1 80 91 A S H 3X>S+ 0 0 10 -4,-2.3 5,-1.6 -5,-0.4 4,-0.7 0.891 106.9 41.6 -59.1 -38.6 3.7 12.4 35.3 81 92 A Q H <<5S+ 0 0 133 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.893 113.7 53.4 -73.1 -37.2 4.0 15.4 37.6 82 93 A L H <5S+ 0 0 50 -4,-1.6 -2,-0.2 1,-0.2 143,-0.2 0.839 119.9 31.4 -68.4 -36.2 5.7 17.6 35.0 83 94 A V H <5S- 0 0 1 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.498 104.4-125.4-101.4 -2.5 3.0 17.0 32.4 84 95 A D T <5S+ 0 0 140 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.914 75.7 107.3 57.9 47.1 0.1 16.7 34.9 85 96 A R S - 0 0 68 -2,-0.5 4,-2.6 1,-0.2 5,-0.1 -0.562 15.7-153.5 -68.9 115.1 2.0 4.5 32.0 89 100 A P T 4 S+ 0 0 23 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.773 90.8 43.0 -62.2 -27.3 5.5 3.3 32.9 90 101 A M T 4 S+ 0 0 67 2,-0.1 -2,-0.1 1,-0.1 -24,-0.0 0.800 128.9 19.8 -91.0 -32.6 5.2 0.2 30.8 91 102 A T T 4 S+ 0 0 33 1,-0.1 172,-0.2 -3,-0.1 -1,-0.1 0.587 125.4 45.9-113.8 -12.4 3.4 1.4 27.6 92 103 A E S < S+ 0 0 38 -4,-2.6 166,-1.7 1,-0.1 2,-0.3 0.167 104.6 63.8-121.0 16.2 4.0 5.2 27.5 93 104 A V E -B 257 0B 4 164,-0.2 2,-0.4 -4,-0.2 164,-0.2 -0.989 57.9-172.9-138.8 134.0 7.7 5.2 28.3 94 105 A L E -B 256 0B 0 162,-2.4 162,-1.8 -2,-0.3 2,-0.3 -0.985 13.8-147.6-132.1 118.4 10.6 3.8 26.2 95 106 A V E +B 255 0B 1 -29,-2.6 2,-0.3 -2,-0.4 160,-0.3 -0.692 27.3 175.0 -84.7 137.5 14.2 3.6 27.4 96 107 A T E -B 254 0B 0 158,-2.3 158,-3.1 -2,-0.3 2,-2.0 -0.873 46.9 -82.9-138.5 166.4 16.7 3.9 24.6 97 108 A V S > S- 0 0 8 -2,-0.3 4,-1.4 156,-0.2 156,-0.3 -0.527 100.0 -45.6 -74.7 85.5 20.5 4.1 24.0 98 109 A G H > S- 0 0 0 -2,-2.0 4,-1.3 154,-0.2 156,-0.6 0.077 80.7 -70.3 74.3 168.9 20.6 7.9 24.7 99 110 A A H > S+ 0 0 0 154,-0.3 4,-2.6 1,-0.2 5,-0.2 0.787 131.5 71.2 -57.5 -29.1 18.2 10.5 23.3 100 111 A Y H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.945 100.3 39.6 -56.7 -49.6 20.0 9.6 20.1 101 112 A E H X S+ 0 0 0 -4,-1.4 4,-3.1 -3,-0.3 -1,-0.2 0.815 111.1 59.6 -75.6 -25.0 18.4 6.2 19.7 102 113 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.931 108.0 45.7 -61.8 -45.7 15.1 7.6 20.9 103 114 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.925 112.7 51.0 -61.1 -45.5 15.3 9.9 18.0 104 115 A Y H X S+ 0 0 2 -4,-2.3 4,-2.8 588,-0.3 5,-0.3 0.944 111.3 46.4 -58.3 -48.7 16.3 7.0 15.7 105 116 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.885 114.2 49.0 -62.5 -38.2 13.4 4.9 16.9 106 117 A T H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.922 116.9 39.4 -68.4 -46.4 10.9 7.8 16.5 107 118 A I H X S+ 0 0 6 -4,-2.7 4,-1.2 1,-0.2 3,-0.2 0.891 118.1 48.2 -74.8 -36.3 12.0 8.7 13.0 108 119 A Q H < S+ 0 0 4 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.820 116.5 43.8 -68.0 -33.9 12.5 5.1 11.8 109 120 A G H < S+ 0 0 1 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.597 124.9 30.5 -92.3 -6.9 9.1 4.1 13.2 110 121 A H H < S+ 0 0 1 -4,-0.9 2,-0.5 -3,-0.2 -2,-0.2 0.364 103.1 77.5-131.0 3.2 7.0 7.1 12.0 111 122 A V < + 0 0 0 -4,-1.2 2,-0.2 -5,-0.1 25,-0.1 -0.970 56.0 175.3-120.0 118.9 8.7 8.3 8.7 112 123 A D > - 0 0 9 -2,-0.5 3,-2.3 1,-0.1 22,-0.1 -0.585 47.0 -54.7-113.5 177.1 8.1 6.3 5.5 113 124 A E T 3 S+ 0 0 122 1,-0.3 23,-0.2 -2,-0.2 -1,-0.1 -0.304 125.3 8.5 -54.3 126.5 9.1 6.8 1.9 114 125 A G T 3 S+ 0 0 45 21,-2.4 -1,-0.3 1,-0.3 22,-0.2 0.227 89.7 140.8 88.5 -12.3 8.1 10.2 0.7 115 126 A D < - 0 0 36 -3,-2.3 22,-3.1 19,-0.2 2,-0.3 -0.442 48.2-132.3 -66.1 136.9 7.0 11.5 4.1 116 127 A E E -cd 137 172B 18 55,-2.0 57,-2.9 20,-0.2 58,-1.5 -0.710 21.8-172.8 -91.2 140.6 8.0 15.2 4.7 117 128 A V E -cd 138 174B 0 20,-2.4 22,-2.9 -2,-0.3 2,-0.4 -0.987 15.7-141.7-132.9 120.0 9.7 16.2 7.9 118 129 A I E -cd 139 175B 0 56,-2.2 58,-2.1 -2,-0.4 2,-0.4 -0.698 17.4-166.0 -90.2 136.9 10.3 19.8 8.7 119 130 A I E -cd 140 176B 0 20,-2.8 22,-1.8 -2,-0.4 2,-0.5 -0.979 13.4-138.3-121.9 131.2 13.6 20.5 10.4 120 131 A I E -c 141 0B 16 56,-0.6 20,-0.1 -2,-0.4 39,-0.0 -0.812 36.7-102.4 -93.3 127.1 14.5 23.8 12.2 121 132 A E E S+c 142 0B 0 20,-2.7 22,-3.2 -2,-0.5 2,-0.1 -0.713 104.3 46.2 -95.2 147.3 18.0 25.1 11.6 122 133 A P S S- 0 0 2 0, 0.0 2,-0.3 0, 0.0 259,-0.2 0.527 92.7-172.7 -66.2 135.7 20.6 25.1 13.2 123 134 A F - 0 0 4 257,-2.6 -2,-0.1 -2,-0.1 2,-0.1 -0.764 32.3 -96.3-107.0 150.5 19.6 21.4 13.8 124 135 A F > - 0 0 20 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.442 50.7-106.3 -57.0 137.1 21.1 18.8 16.0 125 136 A D T 3 S+ 0 0 23 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.733 111.5 48.4 -37.6 -53.6 23.5 16.8 13.8 126 137 A C T 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.1 5,-0.3 0.578 85.5 87.0 -76.2 -12.8 21.5 13.6 13.4 127 138 A Y H <> S+ 0 0 10 -3,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.937 93.5 41.2 -57.3 -52.3 18.1 15.1 12.4 128 139 A E H > S+ 0 0 46 -3,-0.5 4,-2.6 -4,-0.4 5,-0.2 0.953 116.6 45.3 -64.4 -52.1 18.8 15.3 8.6 129 140 A P H > S+ 0 0 10 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.894 112.6 51.7 -61.3 -36.9 20.6 11.9 8.1 130 141 A M H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 6,-0.2 0.948 111.2 47.4 -62.6 -47.5 18.0 10.0 10.2 131 142 A V H <>S+ 0 0 1 -4,-1.9 5,-2.2 -5,-0.3 3,-0.4 0.950 114.1 47.3 -56.2 -48.6 15.2 11.4 8.2 132 143 A K H ><5S+ 0 0 96 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.911 109.1 53.8 -60.7 -43.0 17.0 10.7 4.9 133 144 A A H 3<5S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.4 54.8 -60.8 -29.5 17.8 7.1 6.0 134 145 A A T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.419 121.6-107.6 -84.8 1.5 14.1 6.6 6.7 135 146 A G T < 5S+ 0 0 25 -3,-1.9 -21,-2.4 1,-0.3 -3,-0.2 0.501 75.3 138.5 85.4 5.8 13.2 7.6 3.1 136 147 A G < - 0 0 8 -5,-2.2 -1,-0.3 -6,-0.2 -20,-0.2 -0.303 54.5-123.6 -83.6 168.3 11.7 10.9 4.3 137 148 A I E -c 116 0B 100 -22,-3.1 -20,-2.4 -3,-0.1 2,-0.1 -0.932 24.8-141.0-115.5 109.6 12.1 14.3 2.7 138 149 A P E -c 117 0B 18 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.424 10.9-162.3 -71.8 143.7 13.5 17.0 5.0 139 150 A R E -c 118 0B 97 -22,-2.9 -20,-2.8 -2,-0.1 2,-0.3 -0.956 14.8-152.0-127.9 114.4 12.2 20.5 4.8 140 151 A F E +c 119 0B 13 -2,-0.5 -20,-0.2 -22,-0.2 -22,-0.1 -0.650 21.9 170.7 -98.0 144.1 14.4 23.1 6.4 141 152 A I E -c 120 0B 0 -22,-1.8 -20,-2.7 -2,-0.3 2,-0.3 -0.961 25.3-137.7-142.6 124.0 13.6 26.5 8.0 142 153 A P E -c 121 0B 15 0, 0.0 2,-0.5 0, 0.0 18,-0.4 -0.652 9.4-129.3 -90.1 144.9 16.3 28.5 9.9 143 154 A L - 0 0 11 -22,-3.2 16,-0.2 -2,-0.3 14,-0.1 -0.792 34.9-166.5 -75.1 122.3 16.1 30.4 13.1 144 155 A K B -H 158 0C 114 14,-2.8 14,-2.7 -2,-0.5 244,-0.0 -0.946 13.1-121.4-122.6 139.1 17.5 33.9 12.4 145 156 A P - 0 0 22 0, 0.0 2,-0.6 0, 0.0 12,-0.2 -0.187 10.8-129.1 -72.6 166.7 18.6 36.6 14.8 146 157 A N - 0 0 82 3,-0.1 2,-1.6 0, 0.0 3,-0.2 -0.743 29.3-177.0-109.5 77.9 17.4 40.1 15.2 147 158 A K + 0 0 105 -2,-0.6 5,-0.1 1,-0.2 4,-0.0 -0.606 60.1 76.0 -86.0 87.5 20.7 42.0 15.2 148 159 A T S S+ 0 0 134 -2,-1.6 -1,-0.2 3,-0.2 3,-0.1 -0.003 70.6 82.9 179.1 41.4 19.6 45.6 15.7 149 160 A G S S- 0 0 58 1,-0.4 2,-0.3 -3,-0.2 -3,-0.1 -0.312 97.1-103.7-150.8 57.1 18.7 45.7 19.5 150 161 A G S S+ 0 0 58 2,-0.0 -1,-0.4 -3,-0.0 2,-0.0 -0.400 95.1 16.4 59.6-115.8 22.0 46.2 21.3 151 162 A T S S- 0 0 118 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.2 -0.181 83.9-121.9 -75.2 176.3 23.0 42.9 22.8 152 163 A I E -i 329 0D 9 176,-0.6 178,-2.6 -5,-0.1 2,-0.3 -0.981 20.2-171.1-135.0 138.3 21.5 39.6 21.6 153 164 A S E > -i 330 0D 30 -2,-0.4 3,-2.2 176,-0.2 4,-0.4 -0.826 40.1-112.7-114.8 155.9 19.7 36.8 23.4 154 165 A S G > S+ 0 0 0 176,-2.4 3,-1.2 -2,-0.3 32,-0.1 0.768 117.0 69.7 -58.8 -23.3 18.7 33.4 22.0 155 166 A A G 3 S+ 0 0 36 175,-0.3 -1,-0.3 1,-0.2 34,-0.1 0.741 89.9 62.0 -64.1 -22.6 15.1 34.7 22.2 156 167 A D G < S+ 0 0 53 -3,-2.2 2,-0.8 2,-0.1 -1,-0.2 0.588 82.5 90.0 -79.8 -14.6 16.1 37.1 19.4 157 168 A W < + 0 0 2 -3,-1.2 2,-0.3 -4,-0.4 -14,-0.1 -0.770 66.1 165.6 -82.1 110.7 16.7 34.1 17.1 158 169 A V B -H 144 0C 45 -14,-2.7 -14,-2.8 -2,-0.8 2,-0.3 -0.841 36.4-118.4-132.3 166.1 13.3 33.5 15.6 159 170 A L - 0 0 32 -2,-0.3 2,-0.7 -16,-0.2 -16,-0.1 -0.719 32.5-113.1 -95.9 147.5 11.4 31.7 12.8 160 171 A D > - 0 0 90 -18,-0.4 4,-3.0 -2,-0.3 5,-0.1 -0.740 25.0-157.7 -80.4 115.9 9.5 33.4 10.0 161 172 A N H > S+ 0 0 89 -2,-0.7 4,-3.3 2,-0.2 5,-0.3 0.911 91.7 51.7 -65.8 -40.2 5.9 32.4 10.7 162 173 A N H > S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 113.4 45.6 -59.7 -45.9 4.8 33.0 7.1 163 174 A E H > S+ 0 0 72 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.885 113.9 50.2 -59.3 -43.6 7.7 30.8 5.9 164 175 A L H >X S+ 0 0 1 -4,-3.0 4,-0.8 1,-0.2 3,-0.7 0.932 110.9 46.4 -64.9 -48.1 6.8 28.2 8.6 165 176 A E H >< S+ 0 0 89 -4,-3.3 3,-0.6 1,-0.2 -1,-0.2 0.851 109.5 55.7 -61.2 -37.3 3.1 28.0 7.7 166 177 A A H 3< S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.691 101.2 59.6 -69.2 -21.0 3.9 27.7 4.0 167 178 A L H << S+ 0 0 24 -4,-0.8 2,-0.4 -3,-0.7 -1,-0.2 0.748 91.1 83.5 -80.7 -25.4 6.1 24.7 4.8 168 179 A F << + 0 0 5 -4,-0.8 2,-0.3 -3,-0.6 32,-0.0 -0.665 51.6 139.9 -83.9 130.9 3.3 22.7 6.2 169 180 A N > - 0 0 38 -2,-0.4 3,-2.0 34,-0.1 -2,-0.0 -0.887 68.7 -74.7-149.1-173.0 0.9 20.7 4.0 170 181 A E T 3 S+ 0 0 144 1,-0.3 -2,-0.0 -2,-0.3 33,-0.0 0.753 126.5 60.9 -60.8 -19.4 -0.9 17.4 4.0 171 182 A K T 3 S+ 0 0 128 -56,-0.1 -55,-2.0 2,-0.0 2,-0.5 0.618 77.3 107.4 -81.7 -10.2 2.4 15.7 3.1 172 183 A T E < +d 116 0B 4 -3,-2.0 -55,-0.2 1,-0.2 3,-0.1 -0.560 38.1 168.1 -70.6 118.2 4.0 16.9 6.4 173 184 A K E + 0 0 29 -57,-2.9 33,-2.8 -2,-0.5 2,-0.3 0.767 60.8 8.4 -96.5 -35.0 4.3 13.8 8.6 174 185 A M E -de 117 206B 0 -58,-1.5 -56,-2.2 31,-0.2 2,-0.4 -0.981 49.5-158.7-152.5 149.4 6.5 15.2 11.3 175 186 A I E -de 118 207B 0 31,-1.9 33,-2.7 -2,-0.3 2,-0.6 -0.992 18.3-147.8-131.4 129.2 8.1 18.3 12.7 176 187 A I E -de 119 208B 5 -58,-2.1 -56,-0.6 -2,-0.4 2,-0.4 -0.846 16.6-175.1-102.1 125.5 11.1 18.0 15.0 177 188 A I E - e 0 209B 1 31,-3.1 33,-3.7 -2,-0.6 2,-0.4 -0.917 11.5-160.1-116.9 148.3 11.6 20.6 17.7 178 189 A N E - e 0 210B 9 -2,-0.4 33,-0.2 31,-0.2 8,-0.1 -0.939 13.5-162.3-132.7 106.1 14.5 21.1 20.1 179 190 A T S S+ 0 0 5 31,-1.3 2,-0.2 -2,-0.4 8,-0.1 -0.977 83.9 32.3-137.8 122.5 13.9 23.1 23.2 180 191 A P S S- 0 0 0 0, 0.0 33,-0.4 0, 0.0 -1,-0.2 0.520 112.7-125.2 -61.2 144.3 16.1 24.2 24.8 181 192 A H > - 0 0 11 5,-2.5 4,-2.7 -2,-0.2 152,-0.1 -0.475 15.9-111.0 -77.4 138.2 17.8 24.5 21.5 182 193 A N T 4 S- 0 0 11 1,-0.3 152,-0.0 -2,-0.2 -1,-0.0 -0.965 96.1 -5.3-103.5 118.7 21.3 23.1 20.6 183 194 A P T 4 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 155,-0.2 -0.969 132.4 55.2-105.9 12.3 23.4 25.1 20.1 184 195 A L T 4 S- 0 0 1 -62,-0.2 154,-0.3 153,-0.1 -2,-0.2 0.846 84.2-139.9 -69.2 -32.9 21.5 28.5 20.4 185 196 A G < + 0 0 2 -4,-2.7 147,-1.0 1,-0.3 148,-0.7 0.484 42.5 163.2 79.8 11.2 20.1 27.7 23.8 186 197 A K - 0 0 10 146,-0.2 -5,-2.5 145,-0.2 2,-0.6 -0.401 29.2-150.3 -60.3 134.7 16.8 29.3 22.7 187 198 A V - 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