==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-SEP-07 2R5E . COMPND 2 MOLECULE: KYNURENINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; . AUTHOR Q.HAN,Y.G.GAO,H.ROBINSON,J.LI . 840 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 6.3 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 . 51 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 3 0 0 4 0 0 0 3 3 4 3 5 0 0 0 0 0 0 1 1 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 . 4 3 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 . 5 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 11 A N 0 0 45 0, 0.0 2,-0.7 0, 0.0 591,-0.0 0.000 360.0 360.0 360.0 -8.3 -27.0 8.0 -5.0 2 12 A K - 0 0 141 2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.923 360.0-154.3 -74.2 129.5 -28.2 4.7 -5.6 3 13 A F + 0 0 35 -2,-0.7 683,-0.1 529,-0.0 529,-0.0 -0.072 45.0 137.4-103.1 31.1 -28.4 4.2 -1.8 4 14 A D - 0 0 107 1,-0.2 3,-0.1 527,-0.1 -2,-0.1 -0.237 69.1 -70.1 -60.3 162.3 -28.0 0.4 -2.3 5 15 A L - 0 0 43 5,-0.1 -1,-0.2 1,-0.1 526,-0.1 -0.258 58.5-101.7 -53.1 143.2 -25.6 -1.3 0.2 6 16 A P > - 0 0 2 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.286 36.8-100.2 -62.1 157.7 -21.9 -0.6 -0.2 7 17 A K G > S+ 0 0 114 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.785 121.4 64.0 -51.6 -35.3 -19.8 -3.2 -1.9 8 18 A R G 3 S+ 0 0 23 1,-0.2 -1,-0.3 2,-0.1 128,-0.2 0.725 112.4 34.0 -53.5 -33.4 -18.6 -4.4 1.6 9 19 A Y G X S+ 0 0 7 -3,-2.2 3,-2.0 1,-0.1 -1,-0.2 0.187 80.7 124.5-114.2 14.3 -22.1 -5.5 2.4 10 20 A Q T < S+ 0 0 146 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.831 76.1 44.3 -51.2 -45.3 -23.3 -6.6 -1.0 11 21 A G T 3 S+ 0 0 66 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.704 88.3 143.1 -70.0 -11.9 -24.3 -10.2 -0.1 12 22 A S < + 0 0 43 -3,-2.0 2,-0.3 1,-0.1 -7,-0.1 0.120 19.1 164.5 -57.8 128.2 -26.1 -9.0 3.1 13 23 A T - 0 0 88 676,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.808 50.3 -74.7-120.6 167.4 -29.3 -10.6 4.4 14 24 A K - 0 0 109 -2,-0.3 675,-0.1 1,-0.1 -1,-0.0 -0.453 59.4-112.4 -57.9 133.8 -31.0 -10.4 7.8 15 25 A S > - 0 0 12 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.136 24.0-104.2 -65.1 162.5 -29.1 -12.6 10.3 16 26 A V H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.801 123.0 55.7 -50.2 -34.4 -30.6 -15.8 11.8 17 27 A W H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.954 103.4 45.8 -76.3 -53.0 -31.0 -13.7 14.9 18 28 A V H > S+ 0 0 25 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.910 119.1 48.0 -56.5 -33.8 -33.1 -10.8 13.5 19 29 A E H X S+ 0 0 53 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.938 115.5 40.2 -68.9 -46.6 -35.2 -13.5 11.9 20 30 A Y H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -3,-0.2 0.839 110.2 55.0 -80.8 -33.0 -35.7 -15.8 14.9 21 31 A I H X S+ 0 0 30 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.940 112.7 46.3 -58.9 -45.6 -36.3 -13.2 17.6 22 32 A Q H X S+ 0 0 112 -4,-1.2 4,-1.8 -5,-0.4 -2,-0.2 0.926 110.5 52.2 -64.2 -45.6 -39.1 -11.9 15.3 23 33 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.938 111.3 49.6 -46.8 -51.1 -40.3 -15.5 14.8 24 34 A A H X S+ 0 0 13 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.850 108.3 48.6 -66.8 -41.4 -40.4 -15.8 18.6 25 35 A A H < S+ 0 0 74 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.802 115.0 49.3 -63.5 -32.3 -42.3 -12.6 19.4 26 36 A Q H < S+ 0 0 124 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.947 123.2 24.5 -74.2 -52.6 -44.9 -13.6 16.8 27 37 A Y H < S- 0 0 102 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.570 89.6-144.1 -99.6 -10.4 -45.7 -17.2 17.7 28 38 A K < + 0 0 151 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.891 35.4 172.3 55.2 49.7 -44.7 -17.0 21.3 29 39 A P - 0 0 16 0, 0.0 2,-0.8 0, 0.0 344,-0.3 -0.262 50.9 -76.8 -80.5 171.0 -43.2 -20.6 21.5 30 40 A L E -a 373 0A 34 342,-4.5 344,-2.4 338,-0.1 2,-1.4 -0.663 60.1-136.7 -55.5 107.0 -41.3 -22.4 24.2 31 41 A N E +a 374 0A 37 -2,-0.8 344,-0.1 342,-0.2 -1,-0.1 -0.614 50.7 148.5 -86.6 88.1 -38.1 -20.5 23.3 32 42 A L + 0 0 3 342,-1.7 365,-1.6 -2,-1.4 344,-0.3 0.044 57.8 85.6 -98.6 26.1 -35.2 -23.0 23.3 33 43 A G S S+ 0 0 0 342,-0.3 343,-0.2 363,-0.2 3,-0.1 0.835 75.6 40.9 -89.4-102.5 -33.5 -20.9 20.6 34 44 A Q S S- 0 0 6 341,-0.2 2,-0.7 1,-0.1 363,-0.1 -0.170 94.8-104.7 -49.3 141.0 -31.3 -18.0 21.5 35 45 A G S S+ 0 0 0 806,-2.4 448,-0.2 -3,-0.0 -1,-0.1 -0.692 70.3 113.5 -83.6 111.7 -29.2 -18.8 24.6 36 46 A F - 0 0 14 -2,-0.7 2,-0.1 363,-0.2 363,-0.1 -0.905 63.6 -90.7-162.1 155.9 -30.4 -17.2 27.7 37 47 A P - 0 0 2 0, 0.0 363,-0.2 0, 0.0 4,-0.1 -0.468 15.0-145.4 -74.4 148.5 -31.9 -18.3 31.1 38 48 A D S S+ 0 0 33 361,-0.7 2,-0.2 -2,-0.1 362,-0.1 0.349 85.0 39.1 -77.1 -13.4 -35.6 -18.7 31.8 39 49 A Y S S- 0 0 40 360,-0.2 2,-0.0 439,-0.1 438,-0.0 -0.749 101.7 -56.3-139.3-176.6 -35.2 -17.5 35.4 40 50 A H - 0 0 88 -2,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.304 41.3-131.7 -81.3 147.8 -33.2 -15.0 37.3 41 51 A A - 0 0 12 1,-0.2 207,-0.1 437,-0.1 -1,-0.1 -0.262 58.5 -50.1 -77.5 173.6 -29.4 -14.5 37.4 42 52 A P >> - 0 0 23 0, 0.0 4,-1.2 0, 0.0 3,-1.1 -0.275 52.0-133.9 -54.8 133.3 -27.5 -14.2 40.8 43 53 A K H 3> S+ 0 0 133 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.774 98.2 67.6 -64.5 -31.2 -29.1 -11.5 42.9 44 54 A Y H 3> S+ 0 0 46 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.848 102.2 47.8 -61.6 -33.8 -25.9 -9.8 43.8 45 55 A A H <> S+ 0 0 1 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.918 111.9 47.5 -73.8 -44.5 -25.4 -8.6 40.2 46 56 A L H X S+ 0 0 11 -4,-1.2 4,-2.1 1,-0.2 3,-0.3 0.915 111.3 53.1 -61.3 -42.9 -29.0 -7.4 39.8 47 57 A N H X S+ 0 0 65 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.842 104.3 55.3 -59.1 -39.3 -28.7 -5.5 43.1 48 58 A A H X S+ 0 0 11 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.827 105.9 51.3 -68.3 -33.2 -25.5 -3.8 42.0 49 59 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.942 110.6 48.6 -65.9 -46.9 -27.3 -2.4 38.9 50 60 A A H X S+ 0 0 6 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.924 110.8 51.8 -55.7 -42.8 -30.1 -1.0 41.1 51 61 A A H < S+ 0 0 62 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.864 109.0 49.7 -63.8 -37.3 -27.5 0.5 43.4 52 62 A A H >< S+ 0 0 6 -4,-1.6 3,-1.0 2,-0.2 -1,-0.2 0.907 111.5 48.0 -70.0 -42.1 -25.7 2.2 40.4 53 63 A A H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.935 117.8 42.8 -59.7 -43.4 -29.1 3.6 39.2 54 64 A N T 3< S+ 0 0 87 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.312 87.9 138.9 -82.9 7.0 -29.8 4.8 42.7 55 65 A S < - 0 0 25 -3,-1.0 6,-0.1 1,-0.2 -3,-0.1 -0.233 54.4-143.6 -63.7 138.6 -26.3 6.1 43.4 56 66 A P S S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 404,-0.1 0.592 81.4 95.3 -64.6 -15.9 -25.7 9.5 45.2 57 67 A D > - 0 0 80 1,-0.2 3,-1.6 -5,-0.1 4,-0.3 -0.710 68.4-154.6 -81.4 114.5 -22.7 10.0 42.8 58 68 A P G > S+ 0 0 32 0, 0.0 3,-0.7 0, 0.0 401,-0.2 0.778 93.9 58.2 -61.7 -22.5 -24.0 12.1 39.9 59 69 A L G > S+ 0 0 80 1,-0.2 3,-1.5 2,-0.1 -2,-0.0 0.573 79.2 89.2 -83.7 -7.4 -21.3 10.6 37.7 60 70 A A G < S+ 0 0 16 -3,-1.6 -1,-0.2 1,-0.3 224,-0.2 0.782 99.8 33.4 -55.5 -30.2 -22.5 7.1 38.3 61 71 A N G < S+ 0 0 4 -3,-0.7 610,-1.7 -4,-0.3 611,-0.4 0.128 107.3 87.1-118.2 19.6 -24.8 7.6 35.2 62 72 A Q S < S- 0 0 3 -3,-1.5 394,-0.1 608,-0.3 607,-0.1 -0.652 91.8 -54.2-112.2 170.8 -22.5 9.8 33.1 63 73 A Y - 0 0 19 -2,-0.2 2,-0.3 392,-0.2 -1,-0.2 -0.014 54.0-166.5 -47.4 136.3 -19.8 9.0 30.6 64 74 A T - 0 0 19 214,-0.4 5,-0.1 606,-0.1 -1,-0.1 -0.772 42.1 -53.6-117.6 175.4 -17.0 6.8 31.7 65 75 A R > - 0 0 38 -2,-0.3 3,-1.2 3,-0.2 213,-0.4 -0.099 49.4-133.3 -50.4 130.6 -13.6 6.0 30.2 66 76 A G T 3 S+ 0 0 8 1,-0.3 3,-0.1 211,-0.1 -1,-0.1 0.785 101.9 48.4 -63.8 -35.7 -13.9 4.8 26.6 67 77 A F T 3 S- 0 0 22 1,-0.3 29,-2.4 210,-0.1 -1,-0.3 0.571 133.9 -42.2 -83.7 -9.4 -11.7 1.7 26.7 68 78 A G < - 0 0 1 -3,-1.2 -1,-0.3 27,-0.2 -3,-0.2 -0.398 65.0 -84.4 151.8 137.8 -13.4 0.5 29.9 69 79 A H > - 0 0 20 -3,-0.1 4,-2.6 -2,-0.1 3,-0.4 -0.339 45.5-125.9 -56.6 131.9 -14.8 1.8 33.2 70 80 A P H > S+ 0 0 60 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.897 107.5 51.5 -55.8 -44.3 -11.8 1.9 35.6 71 81 A R H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.867 113.9 46.4 -59.8 -37.7 -13.4 -0.3 38.4 72 82 A L H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.950 111.1 47.8 -71.5 -50.1 -14.3 -2.9 35.7 73 83 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.883 111.8 53.4 -60.0 -35.0 -10.9 -3.1 33.9 74 84 A Q H X S+ 0 0 97 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.954 111.1 44.3 -60.6 -51.6 -9.2 -3.4 37.3 75 85 A A H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.881 113.7 51.3 -61.2 -43.4 -11.5 -6.3 38.4 76 86 A L H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.935 111.3 47.2 -57.4 -48.2 -11.0 -8.0 34.9 77 87 A S H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 11,-0.4 0.924 110.7 52.5 -63.7 -39.3 -7.2 -7.6 35.2 78 88 A K H X S+ 0 0 124 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.904 115.5 41.6 -61.2 -42.0 -7.3 -9.0 38.8 79 89 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 3,-0.4 0.966 119.5 39.5 -68.8 -56.9 -9.2 -12.1 37.5 80 90 A Y H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 6,-0.2 0.783 106.4 64.4 -70.8 -25.4 -7.4 -12.8 34.3 81 91 A S H X>S+ 0 0 12 -4,-2.4 5,-1.6 -5,-0.3 4,-0.5 0.926 109.8 41.3 -60.6 -39.4 -4.0 -12.1 35.7 82 92 A Q H ><5S+ 0 0 123 -4,-0.9 3,-0.6 -3,-0.4 -2,-0.2 0.951 116.3 48.1 -75.1 -44.1 -4.6 -15.1 38.0 83 93 A L H 3<5S+ 0 0 68 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.855 121.0 35.1 -64.4 -38.5 -6.2 -17.3 35.4 84 94 A V H 3<5S- 0 0 8 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.436 105.7-126.0 -97.4 2.8 -3.5 -16.7 32.7 85 95 A D T <<5S+ 0 0 146 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.928 74.7 93.6 46.8 52.8 -0.6 -16.5 35.2 86 96 A R S - 0 0 71 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 -0.598 12.1-153.1 -70.7 116.3 -2.2 -4.2 32.6 90 100 A P T 4 S+ 0 0 20 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.740 90.8 48.3 -64.0 -24.2 -5.8 -3.1 33.1 91 101 A M T 4 S+ 0 0 78 2,-0.1 -2,-0.0 1,-0.1 -17,-0.0 0.849 127.0 17.1 -83.8 -37.9 -5.2 0.1 31.1 92 102 A T T 4 S+ 0 0 35 -3,-0.1 172,-0.2 1,-0.1 -1,-0.1 0.532 125.3 48.3-116.5 -11.6 -3.5 -1.1 28.0 93 103 A E S < S+ 0 0 31 -4,-2.2 166,-1.6 165,-0.1 2,-0.4 0.278 101.3 61.8-120.6 7.9 -4.3 -4.9 27.8 94 104 A V E -B 258 0B 4 -4,-0.2 2,-0.4 164,-0.2 164,-0.2 -0.996 57.0-172.4-131.4 136.4 -8.0 -5.0 28.5 95 105 A L E -B 257 0B 0 162,-2.6 162,-2.2 -2,-0.4 2,-0.4 -0.971 13.9-146.6-129.7 126.5 -10.7 -3.5 26.3 96 106 A V E +B 256 0B 1 -29,-2.4 160,-0.3 -2,-0.4 2,-0.2 -0.720 26.6 176.8 -92.2 138.5 -14.4 -3.4 27.4 97 107 A T E -B 255 0B 0 158,-2.8 158,-2.4 -2,-0.4 2,-1.6 -0.774 45.2 -83.3-137.8 167.0 -16.9 -3.7 24.5 98 108 A V S > S- 0 0 7 -2,-0.2 4,-1.8 156,-0.2 156,-0.3 -0.646 99.8 -46.8 -77.9 86.4 -20.7 -3.9 23.8 99 109 A G H > S- 0 0 0 -2,-1.6 4,-1.2 2,-0.2 156,-0.6 0.071 82.7 -67.4 71.9 171.5 -20.9 -7.7 24.4 100 110 A A H > S+ 0 0 0 154,-0.3 4,-2.6 1,-0.2 5,-0.2 0.785 132.3 73.2 -57.6 -25.6 -18.4 -10.2 23.0 101 111 A Y H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.945 99.2 38.2 -55.1 -56.6 -20.1 -9.1 19.7 102 112 A E H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.2 -1,-0.2 0.771 111.9 60.7 -72.1 -22.0 -18.4 -5.7 19.6 103 113 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.952 109.9 42.0 -64.8 -45.6 -15.2 -7.4 20.9 104 114 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.918 113.9 53.3 -64.7 -41.1 -15.2 -9.6 17.8 105 115 A Y H X S+ 0 0 0 -4,-2.3 4,-3.2 589,-0.3 5,-0.3 0.954 111.2 43.6 -57.8 -52.2 -16.2 -6.7 15.6 106 116 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.789 114.6 52.1 -65.6 -33.0 -13.3 -4.4 16.8 107 117 A T H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.917 114.9 40.1 -67.0 -46.4 -10.9 -7.4 16.5 108 118 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 3,-0.4 0.941 119.8 43.7 -74.2 -45.8 -11.9 -8.2 12.9 109 119 A Q H < S+ 0 0 2 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.898 116.4 51.0 -62.0 -35.7 -12.2 -4.6 11.7 110 120 A G H < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.719 124.3 23.6 -74.8 -21.2 -8.9 -3.9 13.6 111 121 A H H < S+ 0 0 0 -4,-1.2 2,-0.6 -3,-0.4 -1,-0.2 0.332 100.9 85.2-131.7 0.4 -6.9 -6.8 12.1 112 122 A V < + 0 0 0 -4,-1.6 2,-0.2 -3,-0.1 25,-0.1 -0.953 51.0 179.2-116.6 114.0 -8.5 -7.8 8.8 113 123 A D > - 0 0 37 -2,-0.6 3,-2.1 1,-0.1 22,-0.1 -0.529 47.5 -61.6-100.0 171.1 -7.4 -5.9 5.6 114 124 A E T 3 S+ 0 0 100 1,-0.3 23,-0.2 -2,-0.2 -1,-0.1 -0.338 124.8 9.6 -56.1 125.0 -8.5 -6.4 2.0 115 125 A G T 3 S+ 0 0 39 21,-2.1 -1,-0.3 1,-0.3 22,-0.1 0.277 88.9 143.4 88.3 -10.4 -7.5 -9.8 0.8 116 126 A D < - 0 0 29 -3,-2.1 22,-3.2 1,-0.1 2,-0.5 -0.399 48.8-128.3 -61.4 130.8 -6.5 -11.1 4.3 117 127 A E E -cd 138 173B 11 55,-2.4 57,-2.9 20,-0.2 58,-1.5 -0.711 24.1-171.1 -86.6 129.6 -7.4 -14.8 4.8 118 128 A V E -cd 139 175B 0 20,-2.5 22,-3.0 -2,-0.5 2,-0.5 -0.971 13.5-144.2-119.4 124.8 -9.3 -15.7 7.9 119 129 A I E -cd 140 176B 0 56,-2.4 58,-2.1 -2,-0.5 2,-0.4 -0.796 16.8-170.3 -97.1 132.0 -9.9 -19.3 8.8 120 130 A I E -cd 141 177B 0 20,-2.3 22,-1.6 -2,-0.5 2,-0.6 -0.975 17.0-136.3-123.4 132.9 -13.2 -20.1 10.4 121 131 A I E -c 142 0B 17 56,-0.7 20,-0.1 -2,-0.4 39,-0.0 -0.797 38.1-104.5 -94.6 116.9 -14.1 -23.5 12.1 122 132 A E E S+c 143 0B 0 20,-2.5 22,-3.3 -2,-0.6 260,-0.1 -0.634 103.7 45.3 -88.2 150.1 -17.6 -24.8 11.2 123 133 A P S S- 0 0 2 0, 0.0 2,-0.3 0, 0.0 259,-0.2 0.582 92.9-179.2 -68.3 140.7 -20.1 -24.9 12.6 124 134 A F - 0 0 2 257,-2.1 -2,-0.1 -2,-0.1 2,-0.1 -0.845 40.0 -95.4-117.2 146.1 -19.3 -21.3 13.5 125 135 A F > - 0 0 0 -2,-0.3 3,-1.8 58,-0.1 4,-0.4 -0.403 51.8-118.8 -53.5 131.1 -21.0 -18.6 15.6 126 136 A D T 3 S+ 0 0 11 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.663 101.9 62.8 -64.7 -21.6 -22.7 -16.8 12.9 127 137 A C T 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.723 84.7 79.5 -74.4 -17.0 -21.2 -13.3 13.0 128 138 A Y H <> S+ 0 0 5 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.928 94.5 43.8 -57.2 -50.6 -17.7 -14.5 12.2 129 139 A E H > S+ 0 0 44 -3,-0.4 4,-2.5 -4,-0.4 5,-0.3 0.973 114.4 45.1 -62.2 -59.4 -18.3 -14.8 8.5 130 140 A P H > S+ 0 0 38 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.867 113.5 53.1 -57.2 -30.9 -20.2 -11.6 7.8 131 141 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 6,-0.2 0.947 109.9 46.5 -65.5 -47.6 -17.7 -9.7 10.0 132 142 A V H <>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.3 3,-0.3 0.939 114.0 48.8 -57.3 -47.3 -14.7 -11.0 8.1 133 143 A K H ><5S+ 0 0 108 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.869 108.6 53.4 -63.7 -40.4 -16.4 -10.2 4.7 134 144 A A H 3<5S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.811 104.9 54.8 -60.6 -34.9 -17.2 -6.7 5.9 135 145 A A T 3<5S- 0 0 0 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.491 123.5-107.2 -78.5 0.0 -13.6 -6.1 6.7 136 146 A G T < 5S+ 0 0 15 -3,-1.2 -21,-2.1 1,-0.3 -3,-0.2 0.443 75.4 142.8 84.2 4.1 -12.7 -7.1 3.1 137 147 A G < - 0 0 8 -5,-2.5 -1,-0.3 -6,-0.2 -20,-0.2 -0.199 52.4-124.3 -76.2 165.1 -11.3 -10.4 4.4 138 148 A I E -c 117 0B 77 -22,-3.2 -20,-2.5 -3,-0.1 2,-0.2 -0.936 23.3-140.6-112.7 108.0 -11.5 -13.8 2.7 139 149 A P E -c 118 0B 25 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.501 13.1-166.2 -74.7 137.4 -13.1 -16.5 4.9 140 150 A R E -c 119 0B 76 -22,-3.0 -20,-2.3 -2,-0.2 2,-0.3 -0.979 15.3-156.2-124.2 111.1 -11.5 -20.0 4.7 141 151 A F E +c 120 0B 41 -2,-0.5 -20,-0.2 -22,-0.2 -22,-0.0 -0.648 20.7 176.0-100.5 147.1 -13.7 -22.7 6.3 142 152 A I E -c 121 0B 0 -22,-1.6 -20,-2.5 -2,-0.3 2,-0.3 -0.964 25.3-134.8-140.9 125.6 -13.1 -26.2 7.8 143 153 A P E -c 122 0B 3 0, 0.0 18,-0.4 0, 0.0 2,-0.4 -0.614 6.8-133.1 -83.6 139.9 -15.8 -28.2 9.5 144 154 A L - 0 0 8 -22,-3.3 16,-0.2 -2,-0.3 14,-0.1 -0.723 34.0-169.9 -70.9 135.5 -15.7 -30.1 12.7 145 155 A K E -H 159 0C 101 14,-2.0 14,-2.5 -2,-0.4 2,-0.2 -0.993 24.8-109.8-135.7 140.1 -17.2 -33.6 11.9 146 156 A P E -H 158 0C 52 0, 0.0 12,-0.2 0, 0.0 11,-0.1 -0.471 16.6-156.0 -73.6 135.2 -18.3 -36.4 14.3 147 157 A N S S+ 0 0 98 10,-1.9 2,-0.3 -2,-0.2 11,-0.1 0.229 75.7 57.0 -95.3 15.6 -16.0 -39.5 14.1 148 158 A K - 0 0 93 9,-0.1 2,-0.3 0, 0.0 5,-0.1 -0.985 64.8-159.2-145.2 145.1 -18.7 -41.7 15.4 149 159 A T + 0 0 132 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.818 51.0 45.4-120.7 164.3 -22.2 -42.6 14.3 150 160 A G S S- 0 0 61 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.934 94.5 -0.4 74.1 103.3 -25.3 -44.0 16.1 151 161 A G S S- 0 0 35 175,-0.0 2,-0.6 2,-0.0 -1,-0.2 -0.829 110.4 -12.7 112.2-133.5 -26.6 -43.1 19.5 152 162 A T + 0 0 82 -2,-0.4 178,-0.2 176,-0.2 2,-0.2 -0.974 66.4 179.5-111.2 116.0 -25.3 -40.5 21.9 153 163 A I E -i 330 0D 21 176,-1.1 178,-2.4 -2,-0.6 2,-0.3 -0.436 25.3-113.1 -99.6 179.3 -21.9 -39.2 21.0 154 164 A S E > -i 331 0D 33 176,-0.2 3,-2.0 -2,-0.2 4,-0.3 -0.849 20.2-119.6-111.9 155.7 -19.8 -36.6 22.8 155 165 A S G > S+ 0 0 0 176,-2.3 3,-1.4 -2,-0.3 32,-0.2 0.794 114.6 70.9 -63.6 -24.4 -18.8 -33.1 21.5 156 166 A A G 3 S+ 0 0 34 175,-0.3 -1,-0.3 1,-0.2 34,-0.1 0.765 88.8 64.0 -55.9 -24.9 -15.2 -34.5 22.0 157 167 A D G < S+ 0 0 33 -3,-2.0 -10,-1.9 -11,-0.1 2,-0.7 0.667 80.1 89.5 -80.3 -14.5 -16.1 -36.7 18.9 158 168 A W E < +H 146 0C 5 -3,-1.4 2,-0.3 -4,-0.3 -14,-0.1 -0.745 65.4 168.6 -82.4 117.6 -16.5 -33.7 16.6 159 169 A V E -H 145 0C 45 -14,-2.5 -14,-2.0 -2,-0.7 2,-0.2 -0.905 34.2-117.3-138.7 157.8 -13.0 -33.2 15.2 160 170 A L - 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