==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-OCT-07 3B46 . COMPND 2 MOLECULE: AMINOTRANSFERASE BNA3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.WOGULIS . 849 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 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 . 1 0.1 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 . 67 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 32.4 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 5 2 1 2 0 0 3 2 3 4 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 3 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 4 0 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 . 4 0 0 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 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 18 A P 0 0 74 0, 0.0 2,-1.2 0, 0.0 635,-0.0 0.000 360.0 360.0 360.0 161.6 10.4 -0.4 -22.8 2 19 A K + 0 0 181 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.636 360.0 176.9 -96.6 77.6 8.6 -0.3 -19.5 3 20 A V - 0 0 35 -2,-1.2 2,-0.7 637,-0.0 637,-0.1 -0.641 27.9-135.5 -83.8 135.1 5.0 -0.8 -20.5 4 21 A V - 0 0 80 -2,-0.4 2,-0.1 604,-0.1 3,-0.1 -0.835 29.9-165.6 -88.4 117.0 2.5 -1.1 -17.8 5 22 A A - 0 0 3 -2,-0.7 538,-0.3 1,-0.2 537,-0.1 -0.325 41.1 -56.5 -93.4 179.8 0.3 -4.0 -18.7 6 23 A N >> - 0 0 26 536,-2.5 4,-2.0 1,-0.2 3,-1.0 -0.373 47.3-137.6 -57.4 132.3 -3.1 -5.0 -17.3 7 24 A K H 3> S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.782 99.8 70.7 -64.0 -27.8 -2.7 -5.4 -13.6 8 25 A Y H 34 S+ 0 0 48 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.839 108.7 33.1 -59.6 -33.2 -4.8 -8.5 -13.7 9 26 A F H <4 S+ 0 0 9 -3,-1.0 3,-0.4 533,-0.2 -2,-0.2 0.844 118.8 49.5 -91.5 -39.3 -1.9 -10.3 -15.5 10 27 A T H < S+ 0 0 57 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.797 111.8 49.5 -71.4 -27.8 1.1 -8.7 -13.9 11 28 A S S < S+ 0 0 78 -4,-2.5 2,-0.6 1,-0.2 -1,-0.2 0.614 103.6 62.3 -87.4 -11.1 -0.2 -9.2 -10.4 12 29 A N + 0 0 91 -3,-0.4 -1,-0.2 -5,-0.2 -4,-0.0 -0.737 58.6 145.3-116.2 80.9 -1.0 -13.0 -10.9 13 30 A T + 0 0 125 -2,-0.6 -1,-0.1 -3,-0.2 -2,-0.1 0.568 27.3 120.8 -93.2 -12.9 2.4 -14.5 -11.7 14 31 A A - 0 0 84 -3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 -0.234 68.1-111.5 -62.1 137.8 2.1 -17.9 -10.0 15 32 A K - 0 0 79 1,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.323 35.4-134.9 -62.9 147.4 2.5 -21.1 -12.1 16 33 A D > - 0 0 64 1,-0.0 4,-2.3 0, 0.0 5,-0.2 -0.418 29.7 -89.7 -95.4 180.0 -0.8 -22.9 -12.4 17 34 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.775 124.0 50.2 -65.1 -28.0 -1.3 -26.7 -12.0 18 35 A W H > S+ 0 0 78 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.945 112.2 46.9 -74.6 -47.2 -0.7 -27.6 -15.6 19 36 A S H > S+ 0 0 49 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.888 117.5 42.8 -59.6 -43.3 2.5 -25.7 -15.8 20 37 A L H X S+ 0 0 15 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.897 114.9 49.3 -71.7 -41.3 3.7 -27.2 -12.5 21 38 A T H X S+ 0 0 11 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.846 109.4 52.9 -66.8 -34.2 2.5 -30.7 -13.4 22 39 A N H X S+ 0 0 112 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.858 108.2 50.6 -70.8 -33.8 4.2 -30.5 -16.8 23 40 A E H X S+ 0 0 69 -4,-1.3 4,-2.3 -5,-0.2 5,-0.2 0.937 111.2 47.3 -67.3 -48.2 7.5 -29.5 -15.3 24 41 A A H X S+ 0 0 13 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.940 115.8 44.4 -58.1 -49.8 7.5 -32.4 -12.8 25 42 A A H X S+ 0 0 17 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.957 108.6 60.5 -54.4 -53.0 6.5 -34.9 -15.5 26 43 A A H < S+ 0 0 72 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.886 116.1 31.1 -38.6 -55.6 9.2 -33.2 -17.7 27 44 A K H < S+ 0 0 152 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 105.4 69.9 -79.3 -38.4 11.9 -34.2 -15.2 28 45 A A H < S+ 0 0 5 -4,-2.9 2,-4.6 1,-0.2 -1,-0.2 0.703 71.1 93.3 -59.2 -18.5 10.5 -37.4 -13.8 29 46 A A < 0 0 53 -4,-1.2 -1,-0.2 -3,-0.4 346,-0.1 -0.283 360.0 360.0 -71.6 61.1 11.2 -39.1 -17.1 30 47 A N 0 0 149 -2,-4.6 -1,-0.1 345,-0.2 -3,-0.0 -0.668 360.0 360.0-157.5 360.0 14.5 -39.9 -15.4 31 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 32 51 A N > 0 0 32 0, 0.0 3,-1.9 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -10.0 11.5 -44.0 -14.7 33 52 A Q T 3 + 0 0 175 1,-0.3 3,-0.1 3,-0.0 -3,-0.1 -0.489 360.0 30.2 -68.5 143.8 14.0 -44.7 -17.5 34 53 A G T 3 S+ 0 0 96 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.323 112.1 89.8 86.9 -10.3 12.8 -47.7 -19.4 35 54 A R S < S- 0 0 90 -3,-1.9 2,-0.4 3,-0.0 -1,-0.3 -0.875 71.7-137.0-121.2 150.3 9.3 -46.6 -18.6 36 55 A E - 0 0 121 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.877 31.8-109.6-104.8 139.5 7.0 -44.3 -20.5 37 56 A L - 0 0 45 -2,-0.4 2,-0.6 1,-0.1 342,-0.2 -0.451 25.6-142.3 -68.0 141.6 5.1 -41.8 -18.4 38 57 A I E -a 379 0A 4 340,-2.7 342,-2.6 -2,-0.1 2,-0.7 -0.933 15.3-155.8-108.1 112.4 1.3 -42.5 -18.3 39 58 A N E +a 380 0A 36 -2,-0.6 3,-0.1 340,-0.2 342,-0.1 -0.802 35.0 152.3 -99.4 109.1 -0.7 -39.3 -18.4 40 59 A L + 0 0 0 340,-1.9 363,-2.5 -2,-0.7 342,-0.3 0.076 64.2 84.0-113.2 17.6 -4.2 -39.3 -16.9 41 60 A G + 0 0 4 340,-0.2 2,-0.6 361,-0.2 -1,-0.1 0.599 62.5 97.7 -94.2 -15.0 -3.9 -35.6 -16.2 42 61 A Q - 0 0 63 361,-0.2 363,-0.3 338,-0.1 4,-0.1 -0.671 61.4-156.1 -80.1 117.7 -4.9 -34.4 -19.7 43 62 A G + 0 0 15 -2,-0.6 2,-0.3 361,-0.1 -1,-0.1 0.162 67.7 77.8 -79.6 20.5 -8.6 -33.5 -19.6 44 63 A F S S- 0 0 46 359,-0.1 -2,-0.1 452,-0.0 451,-0.1 -0.937 90.1 -86.0-131.1 154.2 -9.0 -34.1 -23.4 45 64 A F - 0 0 0 -2,-0.3 361,-0.2 1,-0.1 -2,-0.1 -0.183 20.3-155.0 -57.8 143.5 -9.4 -37.2 -25.6 46 65 A S S S+ 0 0 36 359,-1.4 2,-0.2 2,-0.1 -1,-0.1 0.554 75.5 62.7 -94.5 -9.4 -6.2 -39.0 -26.9 47 66 A Y S S- 0 0 53 358,-0.2 447,-0.1 1,-0.1 -2,-0.0 -0.488 90.8 -82.2-110.9 178.8 -8.1 -40.3 -29.9 48 67 A S - 0 0 31 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.398 44.1-100.7 -82.3 154.9 -9.9 -39.0 -33.0 49 68 A P - 0 0 3 0, 0.0 206,-0.2 0, 0.0 -1,-0.1 -0.215 63.9 -71.6 -63.2 164.3 -13.5 -37.7 -33.3 50 69 A P >> - 0 0 25 0, 0.0 4,-1.6 0, 0.0 3,-1.5 -0.343 48.0-115.4 -59.7 145.4 -15.9 -40.3 -34.8 51 70 A Q H 3> S+ 0 0 107 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.833 114.2 61.3 -52.2 -34.4 -15.2 -40.8 -38.5 52 71 A F H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.884 104.2 50.8 -62.8 -32.6 -18.6 -39.4 -39.5 53 72 A A H <> S+ 0 0 0 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.923 109.7 49.3 -66.6 -46.4 -17.6 -36.1 -37.8 54 73 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.926 110.9 49.9 -60.1 -45.0 -14.4 -36.0 -39.7 55 74 A K H X S+ 0 0 108 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.908 107.6 52.7 -62.9 -42.6 -16.1 -36.7 -43.0 56 75 A E H X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.882 109.7 50.3 -60.3 -37.4 -18.7 -33.9 -42.5 57 76 A A H X S+ 0 0 1 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.908 110.0 48.9 -68.6 -40.9 -15.9 -31.4 -41.8 58 77 A Q H < S+ 0 0 36 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.903 113.4 47.7 -65.2 -38.9 -14.0 -32.4 -45.0 59 78 A K H >< S+ 0 0 132 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.941 106.7 57.1 -64.1 -48.2 -17.3 -32.1 -47.1 60 79 A A H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.849 99.2 59.7 -52.4 -38.5 -18.1 -28.7 -45.5 61 80 A L T 3< S+ 0 0 4 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 95.2 64.1 -66.3 -18.5 -14.7 -27.4 -46.7 62 81 A D T < S+ 0 0 92 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.535 82.9 87.9 -82.4 -5.6 -15.7 -28.1 -50.3 63 82 A I S X> S- 0 0 77 -3,-1.8 3,-1.8 -4,-0.3 4,-0.5 -0.824 75.8-145.4 -97.9 103.6 -18.5 -25.6 -50.1 64 83 A P G >4 S+ 0 0 61 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.785 93.4 39.8 -29.1 -66.2 -17.1 -22.2 -51.1 65 84 A M G >4 S+ 0 0 72 1,-0.3 3,-1.8 2,-0.2 409,-0.1 0.647 99.3 74.2 -69.5 -17.3 -19.0 -19.9 -48.8 66 85 A V G <4 S+ 0 0 4 -3,-1.8 -1,-0.3 1,-0.3 226,-0.2 0.663 92.2 59.7 -69.3 -11.1 -18.8 -22.3 -45.9 67 86 A N G << S+ 0 0 0 -3,-1.7 618,-3.0 -4,-0.5 619,-0.5 0.426 98.3 76.4 -93.6 -0.1 -15.2 -21.0 -45.8 68 87 A Q S < S- 0 0 0 -3,-1.8 405,-0.0 616,-0.3 407,-0.0 -0.613 100.7 -58.3-107.4 169.5 -16.4 -17.4 -45.2 69 88 A Y - 0 0 36 -2,-0.2 616,-0.2 1,-0.1 -1,-0.2 -0.082 52.1-140.5 -42.9 135.4 -17.7 -15.6 -42.1 70 89 A S - 0 0 6 216,-0.4 5,-0.1 614,-0.2 -1,-0.1 -0.536 38.2 -78.3 -94.3 166.0 -20.9 -17.1 -40.7 71 90 A P > - 0 0 71 0, 0.0 3,-2.1 0, 0.0 215,-0.3 -0.386 53.2-109.1 -60.0 147.2 -23.8 -14.9 -39.4 72 91 A T T 3 S+ 0 0 44 1,-0.3 214,-0.2 213,-0.1 3,-0.1 0.816 117.4 46.2 -52.3 -37.9 -22.7 -13.7 -35.9 73 92 A R T 3 S- 0 0 62 1,-0.3 28,-2.2 27,-0.1 -1,-0.3 0.493 126.8 -82.5 -84.3 -3.1 -25.2 -15.8 -34.0 74 93 A G < - 0 0 3 -3,-2.1 -1,-0.3 26,-0.2 214,-0.1 -0.534 53.5 -53.8 127.4 165.7 -24.3 -18.9 -36.0 75 94 A R >> - 0 0 39 -2,-0.2 4,-2.6 1,-0.1 3,-0.7 -0.617 45.7-130.0 -77.4 134.9 -24.9 -20.8 -39.3 76 95 A P H 3> S+ 0 0 75 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.911 108.0 60.1 -52.0 -40.1 -28.7 -21.4 -39.8 77 96 A S H 3> S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.892 110.3 39.8 -55.7 -42.7 -27.8 -25.0 -40.5 78 97 A L H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.884 113.8 52.2 -75.8 -39.4 -26.3 -25.5 -37.0 79 98 A I H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.873 112.5 49.5 -62.5 -34.0 -28.9 -23.4 -35.2 80 99 A N H X S+ 0 0 94 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.884 107.6 50.8 -72.4 -38.4 -31.4 -25.7 -37.0 81 100 A S H X S+ 0 0 8 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.857 113.8 47.1 -67.1 -31.8 -29.7 -28.9 -35.9 82 101 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.893 109.2 52.5 -75.4 -39.3 -29.7 -27.6 -32.4 83 102 A I H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 11,-0.2 0.967 112.9 46.2 -57.8 -48.3 -33.4 -26.5 -32.5 84 103 A K H < S+ 0 0 110 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.1 45.5 -58.3 -47.2 -34.2 -30.1 -33.7 85 104 A L H < S+ 0 0 18 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.873 121.5 33.5 -67.1 -43.3 -32.0 -31.7 -31.0 86 105 A Y H X S+ 0 0 5 -4,-3.0 4,-3.0 1,-0.2 6,-0.2 0.678 96.2 80.8 -92.4 -17.9 -33.1 -29.6 -28.0 87 106 A S T <>S+ 0 0 25 -4,-2.4 5,-0.8 -5,-0.3 -1,-0.2 0.902 97.2 45.8 -55.6 -42.5 -36.8 -28.9 -28.8 88 107 A P T 45S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.894 113.6 50.6 -65.8 -38.5 -37.8 -32.4 -27.5 89 108 A I T 45S+ 0 0 65 -4,-0.5 -2,-0.2 2,-0.1 2,-0.2 0.907 116.7 39.9 -64.3 -50.5 -35.7 -32.0 -24.4 90 109 A Y T <5S- 0 0 4 -4,-3.0 145,-0.1 2,-0.2 4,-0.0 -0.507 98.7-125.9 -83.7 169.5 -37.1 -28.6 -23.6 91 110 A N T 5S+ 0 0 158 -2,-0.2 2,-0.3 2,-0.0 -4,-0.1 -0.286 75.6 101.5-116.3 52.7 -40.8 -28.9 -24.3 92 111 A T S - 0 0 125 -12,-0.0 3,-2.0 -8,-0.0 4,-0.2 -0.648 38.3 -89.0-118.9 177.9 -36.6 -20.8 -32.5 96 115 A A G > S+ 0 0 55 1,-0.3 3,-1.9 -2,-0.2 -2,-0.1 0.834 122.7 65.2 -57.2 -35.6 -33.4 -19.1 -33.6 97 116 A E G 3 S+ 0 0 112 1,-0.3 -1,-0.3 168,-0.0 175,-0.1 0.618 97.8 54.4 -64.3 -16.1 -33.9 -16.5 -30.9 98 117 A N G < S+ 0 0 8 -3,-2.0 168,-1.9 167,-0.1 2,-0.3 0.406 106.2 61.7 -97.5 2.1 -33.4 -19.2 -28.3 99 118 A V E < +B 265 0B 0 -3,-1.9 2,-0.3 166,-0.2 166,-0.2 -0.955 51.6 172.8-131.1 147.5 -30.0 -20.4 -29.7 100 119 A T E -B 264 0B 1 164,-1.1 164,-3.0 -2,-0.3 2,-0.4 -0.955 22.7-137.5-154.9 133.6 -26.6 -18.9 -30.2 101 120 A V E -B 263 0B 1 -28,-2.2 162,-0.3 -2,-0.3 2,-0.3 -0.751 23.4-175.4 -94.0 135.1 -23.4 -20.5 -31.4 102 121 A T E -B 262 0B 1 160,-2.1 160,-3.0 -2,-0.4 2,-2.3 -0.812 41.2 -94.5-127.3 168.2 -20.1 -19.6 -29.7 103 122 A T S > S- 0 0 0 -2,-0.3 4,-0.5 158,-0.2 158,-0.3 -0.459 97.0 -39.5 -84.5 70.0 -16.4 -20.4 -30.2 104 123 A G H > S- 0 0 0 -2,-2.3 4,-1.1 2,-0.1 158,-0.4 -0.083 77.2 -79.9 94.3 164.1 -16.5 -23.3 -27.7 105 124 A A H > S+ 0 0 0 156,-0.3 4,-2.3 2,-0.2 5,-0.2 0.872 125.1 58.4 -67.4 -38.0 -18.2 -23.5 -24.4 106 125 A N H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 111.0 39.1 -61.2 -47.5 -15.5 -21.5 -22.6 107 126 A E H X S+ 0 0 0 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.743 112.7 59.3 -75.1 -18.4 -15.9 -18.4 -24.7 108 127 A G H X S+ 0 0 0 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.882 107.9 45.2 -71.5 -37.6 -19.6 -19.0 -24.7 109 128 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.896 111.8 51.4 -69.9 -41.4 -19.6 -18.7 -20.9 110 129 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.875 108.0 53.4 -62.2 -37.9 -17.4 -15.7 -21.1 111 130 A S H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.850 108.3 50.3 -65.8 -34.8 -19.9 -14.2 -23.6 112 131 A C H X S+ 0 0 0 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.941 113.0 45.8 -67.0 -45.7 -22.6 -14.9 -21.0 113 132 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 3,-0.2 0.876 112.9 49.4 -65.4 -39.8 -20.6 -13.1 -18.3 114 133 A M H < S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.7 52.1 -70.8 -34.1 -19.7 -10.2 -20.5 115 134 A G H < S+ 0 0 0 -4,-1.7 317,-2.6 -5,-0.2 -1,-0.2 0.732 120.7 33.3 -75.2 -18.9 -23.2 -9.5 -21.6 116 135 A L H < S+ 0 0 4 -4,-1.0 2,-0.2 315,-0.3 -2,-0.2 0.732 95.8 93.3-108.7 -25.0 -24.5 -9.5 -18.1 117 136 A L < - 0 0 3 -4,-2.4 2,-0.3 -5,-0.1 316,-0.1 -0.499 42.0-173.5 -85.4 141.5 -21.9 -8.0 -15.7 118 137 A N > - 0 0 21 -2,-0.2 3,-2.8 314,-0.1 63,-0.1 -0.928 50.3 -77.0-121.9 146.9 -21.3 -4.4 -14.5 119 138 A A T 3 S+ 0 0 95 -2,-0.3 23,-0.2 1,-0.3 22,-0.1 -0.113 122.8 22.1 -42.7 133.2 -18.2 -3.4 -12.5 120 139 A G T 3 S+ 0 0 32 21,-1.6 -1,-0.3 1,-0.3 23,-0.1 -0.044 89.5 138.1 96.0 -34.1 -18.8 -4.6 -8.9 121 140 A D < - 0 0 25 -3,-2.8 22,-2.2 21,-0.1 2,-0.3 0.008 46.8-131.5 -43.6 151.8 -21.3 -7.3 -9.8 122 141 A E E -cd 143 180B 19 57,-3.4 59,-2.7 20,-0.2 60,-1.3 -0.873 19.0-171.3-113.7 146.2 -21.0 -10.6 -8.0 123 142 A V E -cd 144 182B 0 20,-2.6 22,-3.3 -2,-0.3 2,-0.4 -0.996 14.1-144.9-137.0 127.5 -20.9 -14.1 -9.5 124 143 A I E -cd 145 183B 0 58,-2.2 60,-2.7 -2,-0.4 2,-0.3 -0.773 17.3-176.9 -96.2 138.2 -21.1 -17.3 -7.4 125 144 A V E -cd 146 184B 0 20,-2.7 22,-1.4 -2,-0.4 2,-0.4 -0.958 22.8-123.7-131.1 149.3 -19.2 -20.4 -8.4 126 145 A F E -c 147 0B 8 58,-0.6 4,-0.1 -2,-0.3 20,-0.1 -0.773 38.5 -94.8 -96.5 136.4 -19.1 -23.8 -6.7 127 146 A E E S+c 148 0B 0 20,-0.7 22,-1.8 -2,-0.4 261,-0.1 -0.740 110.6 46.2 -92.8 142.1 -15.8 -25.5 -5.6 128 147 A P S S- 0 0 1 0, 0.0 64,-0.2 0, 0.0 260,-0.2 0.472 96.1-176.3 -71.7 130.9 -14.1 -27.4 -7.1 129 148 A F - 0 0 14 258,-1.9 2,-0.5 -2,-0.1 -2,-0.1 -0.490 34.0 -94.9 -98.5 168.0 -14.7 -25.0 -9.9 130 149 A F >> - 0 0 28 -2,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.719 36.6-130.1 -81.5 124.9 -13.6 -25.0 -13.6 131 150 A D T >4 S+ 0 0 47 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.838 102.7 59.1 -44.2 -45.6 -10.4 -23.0 -13.8 132 151 A Q T 3> S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.725 89.6 75.1 -61.6 -23.1 -11.6 -20.7 -16.7 133 152 A Y H <> S+ 0 0 4 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.881 90.4 55.4 -56.0 -43.5 -14.5 -19.4 -14.6 134 153 A I H S+ 0 0 10 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.887 114.1 58.0 -66.7 -34.0 -10.7 -15.1 -15.1 136 155 A N H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.943 113.0 39.6 -58.7 -46.4 -13.8 -15.0 -17.2 137 156 A I H ><>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.2 3,-1.1 0.972 120.8 42.8 -67.8 -52.5 -15.8 -13.4 -14.3 138 157 A E H ><5S+ 0 0 66 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.836 107.6 58.8 -66.0 -33.6 -13.0 -11.1 -13.1 139 158 A L H 3<5S+ 0 0 30 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.707 102.6 57.2 -68.5 -16.1 -11.9 -10.0 -16.6 140 159 A C T <<5S- 0 0 20 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.006 129.3 -96.8-100.2 26.1 -15.5 -8.8 -17.0 141 160 A G T < 5S+ 0 0 40 -3,-1.5 -21,-1.6 1,-0.2 -3,-0.2 0.592 82.0 142.3 69.7 11.6 -15.2 -6.6 -14.0 142 161 A G < - 0 0 10 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.417 48.1-137.2 -88.6 161.9 -16.9 -9.2 -11.8 143 162 A K E -c 122 0B 113 -22,-2.2 -20,-2.6 -2,-0.1 2,-0.4 -0.965 22.8-133.8-115.3 126.0 -16.3 -10.4 -8.2 144 163 A V E -c 123 0B 14 -2,-0.5 2,-0.5 -22,-0.2 -20,-0.2 -0.654 14.1-162.3 -86.7 133.5 -16.3 -14.1 -7.6 145 164 A V E -c 124 0B 27 -22,-3.3 -20,-2.7 -2,-0.4 2,-0.6 -0.952 10.5-150.3-115.2 126.3 -18.2 -15.6 -4.6 146 165 A Y E +c 125 0B 50 -2,-0.5 -20,-0.2 -22,-0.2 -22,-0.1 -0.834 22.1 167.5-106.8 107.9 -17.2 -19.2 -3.5 147 166 A V E -c 126 0B 2 -22,-1.4 -20,-0.7 -2,-0.6 -2,-0.0 -0.961 35.1-125.1-114.0 120.7 -19.7 -21.7 -1.9 148 167 A P E -c 127 0B 14 0, 0.0 2,-0.9 0, 0.0 20,-0.6 -0.120 6.2-130.7 -65.4 157.4 -18.3 -25.3 -1.8 149 168 A I E -H 167 0C 1 -22,-1.8 18,-0.2 18,-0.1 -23,-0.0 -0.912 44.5-134.9-104.7 92.6 -19.7 -28.6 -3.0 150 169 A N E -H 166 0C 59 16,-2.1 16,-2.1 -2,-0.9 3,-0.1 -0.299 10.2-126.8 -61.1 132.5 -19.1 -30.4 0.3 151 170 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.006 35.4 -90.5 -66.9 174.4 -17.5 -33.9 0.3 152 171 A P > - 0 0 6 0, 0.0 3,-3.2 0, 0.0 4,-0.2 -0.783 27.3-130.3 -90.4 140.8 -19.1 -36.8 2.1 153 172 A K G > S+ 0 0 202 -2,-0.4 3,-0.5 1,-0.3 11,-0.0 0.906 115.3 55.6 -50.4 -37.1 -17.9 -37.1 5.7 154 173 A E G >> S+ 0 0 71 1,-0.2 3,-1.7 2,-0.1 4,-1.2 0.407 74.8 122.7 -73.8 -0.7 -17.3 -40.7 4.6 155 174 A L G <4 S+ 0 0 17 -3,-3.2 -1,-0.2 1,-0.3 5,-0.2 0.716 74.4 37.0 -34.8 -43.1 -15.1 -39.5 1.7 156 175 A D G <4 S+ 0 0 73 -3,-0.5 -1,-0.3 -4,-0.2 3,-0.1 -0.081 110.1 52.6-115.3 42.7 -12.1 -41.5 2.7 157 176 A Q T <4 S+ 0 0 149 -3,-1.7 2,-0.3 1,-0.5 -2,-0.1 0.498 114.4 12.8-135.2 -30.0 -13.2 -44.8 4.1 158 177 A R S < S- 0 0 80 -4,-1.2 -1,-0.5 173,-0.0 2,-0.2 -0.914 92.7 -77.9-143.9 167.0 -15.4 -46.2 1.4 159 178 A N - 0 0 63 -2,-0.3 174,-0.2 172,-0.2 2,-0.2 -0.509 52.6-149.0 -70.8 136.3 -16.3 -45.5 -2.2 160 179 A T B -i 333 0D 1 172,-1.7 174,-2.1 -2,-0.2 2,-0.2 -0.586 1.1-130.8-106.0 168.1 -18.7 -42.5 -2.4 161 180 A R - 0 0 119 172,-0.2 3,-0.4 -2,-0.2 4,-0.1 -0.526 25.4-109.0-108.4 177.5 -21.4 -41.5 -4.8 162 181 A G S > S+ 0 0 0 1,-0.2 3,-2.8 -2,-0.2 32,-0.1 0.977 114.9 55.1 -72.4 -56.3 -22.2 -38.3 -6.7 163 182 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.2 32,-0.1 34,-0.0 0.489 95.6 73.2 -58.8 1.6 -25.3 -37.3 -4.7 164 183 A E T 3 S+ 0 0 25 -3,-0.4 2,-0.6 -12,-0.1 -1,-0.3 0.539 81.5 73.8 -91.0 -12.4 -23.1 -37.5 -1.6 165 184 A W S < S- 0 0 0 -3,-2.8 2,-0.3 -4,-0.1 -15,-0.1 -0.916 77.8-179.4 -97.2 125.7 -21.2 -34.3 -2.4 166 185 A T E -H 150 0C 60 -16,-2.1 -16,-2.1 -2,-0.6 2,-0.4 -0.938 31.7-127.2-136.4 158.2 -23.7 -31.6 -1.6 167 186 A I E -H 149 0C 8 -2,-0.3 2,-1.8 -18,-0.2 -18,-0.1 -0.811 26.5-127.1 -98.6 137.9 -24.2 -27.8 -1.7 168 187 A D > - 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