==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-OCT-11 3UF7 . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.P.GEORGE,T.J.LIBAN,R.REYES-LAMOTHE,J.L.KECK . 231 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 1 0 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 3 A N 0 0 102 0, 0.0 153,-0.0 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 160.7 -7.0 -42.8 28.4 2 4 A E + 0 0 192 2,-0.1 49,-0.1 49,-0.0 2,-0.1 0.134 360.0 127.4 -79.7 -6.5 -4.1 -40.3 29.0 3 5 A L - 0 0 39 150,-0.1 49,-2.5 47,-0.1 2,-0.3 -0.407 43.4-164.5 -60.0 140.5 -3.2 -41.2 25.5 4 6 A T > - 0 0 43 47,-0.2 4,-0.7 46,-0.1 3,-0.4 -0.831 34.2-113.3-116.8 162.7 -2.7 -38.5 23.0 5 7 A W H >> S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 3,-1.1 0.882 117.7 60.8 -57.2 -37.4 -2.5 -38.4 19.2 6 8 A H H 3> S+ 0 0 107 221,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.868 98.3 57.9 -60.6 -35.8 1.1 -37.5 19.6 7 9 A D H 34 S+ 0 0 89 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.738 121.6 24.2 -61.3 -28.2 1.7 -40.8 21.3 8 10 A V H << S+ 0 0 22 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.562 123.3 47.2-120.1 -11.1 0.4 -42.9 18.4 9 11 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.1 -3,-0.2 0.360 77.0 98.4-112.9 1.3 0.8 -40.7 15.3 10 12 A A T < S+ 0 0 24 -4,-0.9 4,-0.2 -5,-0.3 -1,-0.1 0.900 94.0 37.4 -60.3 -40.2 4.4 -39.4 15.6 11 13 A E T >4 S+ 0 0 122 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.834 110.3 61.0 -79.6 -30.4 5.8 -42.0 13.2 12 14 A E G >4 S+ 0 0 30 1,-0.3 3,-1.8 2,-0.2 6,-0.3 0.895 96.0 62.7 -62.5 -34.1 2.7 -41.8 11.0 13 15 A K G 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.662 102.5 51.3 -57.1 -26.5 3.7 -38.1 10.4 14 16 A Q G < S+ 0 0 137 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.398 83.2 116.0 -95.0 -1.1 6.9 -39.4 8.8 15 17 A Q S X> S- 0 0 76 -3,-1.8 4,-2.6 -4,-0.3 3,-0.6 -0.453 70.7-125.8 -74.9 143.4 5.3 -41.8 6.4 16 18 A P H 3> S+ 0 0 83 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.879 108.4 53.6 -55.1 -42.3 5.7 -41.1 2.7 17 19 A Y H 3> S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 121,-0.3 0.874 113.1 45.3 -64.0 -34.6 2.0 -41.1 1.8 18 20 A F H <> S+ 0 0 2 -3,-0.6 4,-2.5 -6,-0.3 5,-0.2 0.950 114.2 46.7 -72.1 -49.4 1.4 -38.5 4.6 19 21 A L H X S+ 0 0 76 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.889 112.2 51.5 -58.7 -42.2 4.3 -36.3 3.6 20 22 A N H X S+ 0 0 101 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.889 109.2 51.2 -63.9 -36.7 3.3 -36.5 -0.1 21 23 A T H X S+ 0 0 5 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.952 112.4 44.3 -65.1 -50.4 -0.3 -35.5 0.8 22 24 A L H X S+ 0 0 50 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.911 114.6 49.7 -61.1 -41.5 0.8 -32.4 2.9 23 25 A Q H X S+ 0 0 131 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.912 111.5 48.8 -65.9 -39.1 3.3 -31.4 0.2 24 26 A T H X S+ 0 0 52 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 112.5 47.0 -65.7 -46.7 0.7 -31.7 -2.6 25 27 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.938 113.7 49.0 -59.7 -46.0 -1.9 -29.7 -0.7 26 28 A A H X S+ 0 0 35 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.901 110.1 51.0 -60.9 -41.5 0.7 -27.0 0.1 27 29 A S H X S+ 0 0 67 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.884 110.4 49.7 -64.6 -38.5 1.9 -26.9 -3.5 28 30 A E H X>S+ 0 0 28 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.947 110.3 48.7 -65.4 -46.9 -1.7 -26.4 -4.7 29 31 A R H ><5S+ 0 0 60 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.932 112.2 50.8 -54.3 -47.6 -2.3 -23.6 -2.2 30 32 A Q H 3<5S+ 0 0 160 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 105.4 55.5 -59.5 -35.0 0.9 -21.9 -3.3 31 33 A S H 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.538 126.9 -98.4 -80.5 -6.8 -0.1 -22.2 -7.0 32 34 A G T <<5S+ 0 0 58 -3,-1.3 2,-0.4 -4,-0.6 -3,-0.2 0.513 74.1 143.7 104.7 8.2 -3.3 -20.3 -6.2 33 35 A V < - 0 0 46 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.665 50.7-128.8 -78.2 128.4 -5.8 -23.1 -5.9 34 36 A T - 0 0 79 -2,-0.4 94,-2.9 94,-0.1 2,-0.4 -0.719 33.6-177.5 -79.1 121.4 -8.3 -22.3 -3.1 35 37 A I E -A 127 0A 8 -2,-0.6 92,-0.2 92,-0.2 4,-0.1 -0.956 18.8-106.2-125.8 139.4 -8.5 -25.3 -0.8 36 38 A Y E S+A 126 0A 38 90,-2.8 90,-1.8 -2,-0.4 35,-0.1 -0.877 85.2 28.5-117.3 152.5 -10.7 -25.8 2.2 37 39 A P S S- 0 0 1 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.727 95.5-103.5 -70.9 175.7 -10.5 -25.8 5.1 38 40 A P >> - 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.251 35.0-106.0 -55.1 153.2 -7.6 -23.4 5.7 39 41 A Q G >4 S+ 0 0 111 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.852 119.2 58.8 -52.7 -41.8 -4.3 -25.1 6.6 40 42 A K G 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.701 111.4 42.8 -63.6 -19.4 -4.6 -24.0 10.3 41 43 A D G X4 S+ 0 0 9 -3,-2.2 3,-2.2 1,-0.1 4,-0.2 0.513 81.6 97.9-102.8 -12.0 -7.9 -25.9 10.6 42 44 A V T << S+ 0 0 10 -3,-0.9 3,-0.3 -4,-0.8 -2,-0.1 0.839 94.0 35.2 -52.7 -38.2 -7.2 -29.1 8.7 43 45 A F T >> S+ 0 0 6 182,-0.4 4,-1.6 -4,-0.4 3,-1.1 0.128 78.2 121.2-104.5 25.2 -6.5 -31.1 11.9 44 46 A N H <> + 0 0 7 -3,-2.2 4,-2.5 1,-0.3 5,-0.2 0.810 67.3 63.9 -63.5 -27.3 -9.0 -29.5 14.3 45 47 A A H 3> S+ 0 0 3 27,-1.0 4,-1.3 -3,-0.3 -1,-0.3 0.899 108.1 43.1 -60.3 -37.1 -10.9 -32.8 15.0 46 48 A F H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.830 112.4 53.0 -75.6 -35.9 -7.6 -34.0 16.6 47 49 A R H < S+ 0 0 109 -4,-1.6 3,-0.2 1,-0.2 -2,-0.2 0.896 116.3 38.3 -63.9 -43.3 -7.0 -30.7 18.4 48 50 A F H < S+ 0 0 24 -4,-2.5 2,-0.4 1,-0.2 68,-0.2 0.723 122.1 40.7 -87.5 -21.2 -10.5 -30.6 20.0 49 51 A T S < S- 0 0 1 -4,-1.3 -1,-0.2 -5,-0.2 5,-0.1 -0.880 75.7-155.8-134.1 97.6 -10.8 -34.4 20.8 50 52 A E >> - 0 0 52 -2,-0.4 3,-1.6 -3,-0.2 4,-0.7 -0.354 30.6-107.5 -69.8 157.2 -7.7 -36.1 22.1 51 53 A L G >4 S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 -47,-0.2 0.889 119.0 47.5 -54.5 -47.7 -7.3 -39.9 21.6 52 54 A G G 34 S+ 0 0 7 -49,-2.5 -1,-0.3 1,-0.3 -48,-0.1 0.626 111.2 53.7 -70.7 -14.8 -7.9 -40.8 25.2 53 55 A D G <4 S+ 0 0 104 -3,-1.6 -1,-0.3 -50,-0.2 2,-0.2 0.448 75.9 123.0 -94.6 -7.7 -11.0 -38.5 25.3 54 56 A V << + 0 0 2 -3,-1.3 63,-0.2 -4,-0.7 3,-0.1 -0.425 20.2 155.9 -61.2 124.8 -12.8 -40.0 22.3 55 57 A K + 0 0 36 61,-3.1 103,-2.3 1,-0.4 2,-0.4 0.672 67.9 20.4-111.6 -40.1 -16.3 -41.2 23.3 56 58 A V E -bc 117 158B 0 60,-2.0 62,-3.1 101,-0.2 2,-0.5 -0.994 63.3-157.5-135.5 137.0 -18.1 -41.2 20.0 57 59 A V E -bc 118 159B 0 101,-2.8 103,-3.0 -2,-0.4 2,-0.5 -0.986 9.0-176.8-114.6 126.6 -16.8 -41.2 16.4 58 60 A I E -bc 119 160B 0 60,-2.6 62,-1.4 -2,-0.5 2,-0.3 -0.988 16.3-149.6-122.1 117.8 -18.9 -39.8 13.6 59 61 A L E +b 120 0B 2 101,-1.0 103,-0.4 -2,-0.5 62,-0.2 -0.681 17.8 175.5 -89.2 142.0 -17.4 -40.2 10.1 60 62 A G E -b 121 0B 8 60,-2.2 62,-1.6 -2,-0.3 173,-0.1 -0.643 23.7-136.9-117.6-173.8 -17.9 -37.9 7.2 61 63 A Q S S+ 0 0 32 171,-0.7 62,-2.6 1,-0.4 -1,-0.2 0.728 71.2 10.4-107.7 -82.5 -16.3 -37.9 3.7 62 64 A D S S- 0 0 2 170,-2.3 -1,-0.4 60,-0.1 62,-0.1 -0.737 73.4-108.4-101.0 156.3 -15.3 -34.5 2.4 63 65 A P - 0 0 5 0, 0.0 -27,-0.1 0, 0.0 11,-0.1 -0.383 52.5 -87.3 -63.5 153.0 -15.1 -31.0 3.9 64 66 A Y - 0 0 13 12,-0.2 6,-0.4 1,-0.1 62,-0.1 -0.366 40.0-145.6 -58.4 145.9 -17.7 -28.5 2.8 65 67 A H + 0 0 49 4,-0.1 64,-2.6 -3,-0.1 65,-0.2 0.243 61.2 90.4-114.6 18.5 -16.3 -26.9 -0.4 66 68 A G S >> S- 0 0 10 62,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.711 87.0 -72.9-110.1 163.8 -17.6 -23.3 -0.2 67 69 A P T 34 S- 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.196 110.8 -1.8 -61.8 132.9 -16.0 -20.1 1.3 68 70 A G T 34 S+ 0 0 45 2,-0.1 10,-0.4 1,-0.1 13,-0.1 0.510 106.6 101.3 74.9 8.0 -16.0 -19.9 5.1 69 71 A Q T <4 + 0 0 61 -3,-1.7 9,-1.6 8,-0.1 12,-0.1 0.968 63.1 58.1 -93.4 -66.8 -17.9 -23.2 5.6 70 72 A A < + 0 0 8 -4,-0.5 7,-0.1 -6,-0.4 -2,-0.1 -0.377 45.1 169.5 -68.8 145.6 -15.5 -26.0 6.6 71 73 A H - 0 0 0 2,-0.4 -1,-0.1 5,-0.3 3,-0.1 0.083 68.2 -76.9-146.1 29.1 -13.3 -25.7 9.7 72 74 A G S S+ 0 0 12 1,-0.3 -27,-1.0 4,-0.1 2,-0.4 0.560 100.2 100.9 91.9 9.9 -11.8 -29.1 10.2 73 75 A L S S- 0 0 4 3,-0.2 -2,-0.4 -29,-0.1 -1,-0.3 -0.983 74.4-113.1-121.1 137.9 -14.8 -31.0 11.7 74 76 A A S S+ 0 0 0 45,-2.0 2,-1.9 -2,-0.4 35,-0.1 -0.384 97.1 2.0 -56.1 146.4 -17.2 -33.3 9.9 75 77 A F S S+ 0 0 8 1,-0.1 -1,-0.2 33,-0.0 12,-0.2 -0.154 106.3 107.8 72.2 -38.4 -20.8 -31.9 9.6 76 78 A S - 0 0 0 -2,-1.9 -5,-0.3 7,-0.1 2,-0.3 -0.281 47.7-163.8 -76.4 150.6 -20.1 -28.6 11.3 77 79 A V - 0 0 1 30,-2.2 -7,-0.2 -7,-0.1 -8,-0.1 -0.922 32.6 -90.8-126.4 159.9 -19.9 -25.1 9.8 78 80 A R > - 0 0 75 -9,-1.6 3,-1.9 -10,-0.4 29,-0.3 -0.217 58.3 -82.4 -62.3 156.2 -18.4 -21.9 11.1 79 81 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.304 118.5 31.4 -57.2 141.1 -20.7 -19.5 13.0 80 82 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.174 91.3 116.5 95.0 -19.0 -22.8 -17.4 10.7 81 83 A I S < S- 0 0 47 -3,-1.9 26,-0.4 -13,-0.1 -1,-0.3 -0.638 75.2-102.6 -84.3 139.8 -23.0 -20.0 7.9 82 84 A A - 0 0 85 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 -0.245 46.8 -94.6 -57.6 146.7 -26.4 -21.5 7.0 83 85 A I - 0 0 46 1,-0.1 -1,-0.1 4,-0.1 -7,-0.1 -0.460 41.4-120.3 -68.7 125.5 -27.0 -24.9 8.4 84 86 A P > - 0 0 13 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.370 22.5-116.3 -63.0 148.3 -26.1 -27.6 5.8 85 87 A P H > S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.829 114.7 52.8 -59.7 -35.9 -29.0 -29.9 4.9 86 88 A S H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.902 111.5 47.1 -63.5 -40.4 -27.4 -33.0 6.3 87 89 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.874 107.6 56.9 -69.1 -36.4 -26.9 -31.2 9.7 88 90 A L H X S+ 0 0 49 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.921 106.7 49.2 -58.3 -40.6 -30.5 -30.0 9.5 89 91 A N H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.896 108.8 52.1 -66.7 -39.4 -31.6 -33.6 9.3 90 92 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.927 109.5 50.8 -57.9 -43.9 -29.4 -34.5 12.3 91 93 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.851 108.5 51.8 -62.6 -36.7 -31.1 -31.6 14.2 92 94 A K H X S+ 0 0 65 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.933 111.1 46.2 -65.7 -43.4 -34.5 -32.9 13.3 93 95 A E H X S+ 0 0 4 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.914 113.7 50.4 -61.6 -44.9 -33.6 -36.4 14.5 94 96 A L H >X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 3,-1.3 0.926 109.1 49.8 -59.4 -46.3 -32.1 -34.8 17.7 95 97 A E H 3< S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.857 111.7 50.3 -66.6 -30.1 -35.3 -32.7 18.4 96 98 A N H 3< S+ 0 0 127 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.556 125.3 23.8 -76.9 -12.6 -37.4 -35.8 17.9 97 99 A T H << S+ 0 0 37 -3,-1.3 -2,-0.2 -4,-0.6 -3,-0.2 0.694 101.4 74.4-127.5 -33.2 -35.4 -38.0 20.4 98 100 A I S >< S- 0 0 28 -4,-2.8 3,-2.1 -5,-0.2 -1,-0.1 -0.782 83.4-116.0 -94.9 122.7 -33.4 -36.0 23.0 99 101 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.316 96.9 6.2 -58.6 129.2 -35.5 -34.5 25.8 100 102 A G T 3 S+ 0 0 80 1,-0.3 2,-0.4 -5,-0.1 -5,-0.1 0.538 88.4 144.2 75.7 9.3 -35.4 -30.7 25.7 101 103 A F < - 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0 0 1 9,-0.1 9,-0.4 -62,-0.1 2,-0.3 -0.943 57.1-176.3-141.9 162.0 -9.1 -31.1 2.3 126 128 A V E -A 36 0A 0 -90,-1.8 -90,-2.8 -2,-0.3 2,-0.3 -0.980 30.7-111.6-154.1 143.9 -11.0 -30.2 -0.9 127 129 A R E > -A 35 0A 71 3,-0.5 3,-2.4 -2,-0.3 -92,-0.2 -0.623 57.8 -82.8 -74.8 142.1 -10.6 -27.8 -3.8 128 130 A A T 3 S- 0 0 35 -94,-2.9 -62,-0.2 -2,-0.3 -1,-0.1 -0.131 109.5 -3.4 -47.5 127.9 -13.2 -25.1 -3.8 129 131 A G T 3 S+ 0 0 51 -64,-2.6 2,-0.6 1,-0.1 -1,-0.3 0.405 108.3 105.2 76.6 -4.4 -16.5 -26.2 -5.4 130 132 A Q X - 0 0 103 -3,-2.4 3,-1.8 -65,-0.2 -3,-0.5 -0.804 59.3-149.8-123.2 90.6 -15.2 -29.6 -6.3 131 133 A A T 3 S+ 0 0 38 -2,-0.6 -5,-0.1 1,-0.3 -67,-0.1 -0.254 83.8 10.9 -58.9 142.5 -16.3 -32.6 -4.3 132 134 A H T > S+ 0 0 56 1,-0.1 3,-1.7 100,-0.1 4,-0.4 0.484 83.8 134.0 69.1 9.7 -13.8 -35.5 -4.1 133 135 A S T < S+ 0 0 19 -3,-1.8 3,-0.2 1,-0.3 -7,-0.1 0.735 78.0 36.6 -65.2 -23.7 -11.1 -33.4 -5.6 134 136 A H T > S+ 0 0 0 -9,-0.4 3,-1.6 -4,-0.2 5,-0.4 0.232 85.4 103.0-109.1 14.2 -8.5 -34.5 -3.0 135 137 A A T < S+ 0 0 41 -3,-1.7 5,-0.3 1,-0.3 -2,-0.1 0.824 74.6 62.0 -62.1 -28.4 -9.8 -38.1 -2.7 136 138 A S T 3 S+ 0 0 108 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.466 91.9 81.3 -81.3 -2.1 -6.8 -39.3 -4.9 137 139 A L S < S- 0 0 40 -3,-1.6 3,-0.3 -116,-0.0 4,-0.2 0.047 102.0 -89.1 -81.6-159.1 -4.3 -38.1 -2.2 138 140 A G S > S+ 0 0 8 -121,-0.3 4,-2.1 1,-0.2 5,-0.1 0.208 91.6 106.9-103.1 15.3 -3.4 -40.0 0.9 139 141 A W H > S+ 0 0 3 -5,-0.4 4,-2.9 1,-0.2 5,-0.2 0.890 79.1 52.3 -63.4 -38.2 -6.0 -38.8 3.3 140 142 A E H > S+ 0 0 40 -5,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.894 108.4 52.1 -65.6 -34.4 -8.0 -42.0 3.3 141 143 A T H > S+ 0 0 70 2,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.941 112.3 47.0 -62.2 -44.9 -4.8 -43.9 4.1 142 144 A F H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 113.6 45.3 -61.5 -50.0 -4.3 -41.5 7.1 143 145 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 -21,-0.4 -1,-0.2 0.838 108.1 58.0 -74.0 -24.3 -7.9 -41.8 8.3 144 146 A D H X S+ 0 0 80 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.938 108.9 46.9 -57.7 -46.2 -7.8 -45.6 7.9 145 147 A K H X S+ 0 0 70 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.924 109.5 53.2 -65.6 -39.8 -4.8 -45.5 10.3 146 148 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.941 111.2 45.7 -58.6 -48.5 -6.6 -43.2 12.7 147 149 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.929 112.0 52.1 -62.4 -42.0 -9.7 -45.5 12.9 148 150 A S H X S+ 0 0 43 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 109.4 50.2 -61.3 -38.9 -7.3 -48.5 13.3 149 151 A L H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.889 110.3 48.2 -69.8 -36.4 -5.5 -46.8 16.2 150 152 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.950 112.9 49.8 -64.8 -45.9 -8.8 -46.0 18.0 151 153 A N H < S+ 0 0 27 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 118.9 38.3 -54.6 -45.4 -9.9 -49.6 17.5 152 154 A Q H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.917 123.7 34.9 -74.2 -46.4 -6.5 -50.9 18.9 153 155 A H H < S+ 0 0 61 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.539 110.8 57.0 -99.1 -6.7 -5.8 -48.4 21.8 154 156 A R < - 0 0 21 -4,-1.9 2,-0.4 -5,-0.3 -102,-0.1 -0.771 64.1-144.7-118.4 164.3 -9.2 -47.6 23.2 155 157 A E S S+ 0 0 98 -2,-0.3 23,-0.2 1,-0.1 22,-0.1 -0.990 73.4 8.4-125.0 137.6 -12.1 -49.6 24.6 156 158 A G S S+ 0 0 11 21,-2.9 2,-0.2 -2,-0.4 22,-0.2 0.710 72.8 161.7 77.7 23.4 -15.8 -49.0 24.3 157 159 A V - 0 0 1 20,-0.2 22,-2.8 -7,-0.1 2,-0.6 -0.544 36.6-130.3 -75.8 144.1 -15.9 -46.2 21.7 158 160 A V E -cd 56 179B 0 -103,-2.3 -101,-2.8 -2,-0.2 2,-0.5 -0.847 20.3-162.8 -93.3 124.3 -19.3 -45.6 20.0 159 161 A F E -cd 57 180B 0 20,-2.7 22,-2.9 -2,-0.6 2,-0.7 -0.956 4.8-161.8-107.8 122.8 -18.9 -45.4 16.2 160 162 A L E -cd 58 181B 0 -103,-3.0 -101,-1.0 -2,-0.5 2,-0.7 -0.923 11.8-170.2-103.5 105.2 -21.9 -43.9 14.3 161 163 A L E - d 0 182B 1 20,-3.0 22,-2.0 -2,-0.7 2,-0.6 -0.891 3.3-174.1-107.5 106.2 -21.4 -45.0 10.7 162 164 A W E - d 0 183B 3 -2,-0.7 4,-0.5 -103,-0.4 23,-0.2 -0.894 49.7 -0.9-111.2 116.1 -23.8 -43.2 8.4 163 165 A G S > S- 0 0 11 20,-2.7 4,-2.2 -2,-0.6 5,-0.2 -0.019 92.4 -71.7 91.5 164.9 -24.0 -44.2 4.7 164 166 A S H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.868 126.3 54.1 -61.8 -42.7 -22.1 -46.8 2.7 165 167 A H H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.942 112.3 43.1 -61.6 -48.3 -18.8 -45.0 2.6 166 168 A A H > S+ 0 0 5 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.883 112.1 54.1 -65.5 -39.1 -18.6 -44.7 6.4 167 169 A Q H < S+ 0 0 53 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.917 110.2 46.7 -64.9 -38.7 -19.8 -48.2 7.0 168 170 A K H >< S+ 0 0 163 -4,-2.4 3,-1.7 1,-0.2 4,-0.3 0.921 109.0 55.3 -67.3 -38.7 -17.1 -49.6 4.7 169 171 A K H 3< S+ 0 0 16 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.824 111.5 45.1 -61.0 -35.0 -14.5 -47.4 6.5 170 172 A G T >< S+ 0 0 5 -4,-1.6 3,-1.5 1,-0.2 -1,-0.3 0.324 77.9 106.6 -92.9 10.8 -15.6 -49.0 9.8 171 173 A A T < S+ 0 0 84 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.743 77.0 57.4 -62.1 -25.0 -15.6 -52.6 8.7 172 174 A I T 3 S+ 0 0 96 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.620 78.4 114.2 -72.1 -25.9 -12.4 -53.3 10.6 173 175 A I S < S- 0 0 9 -3,-1.5 2,-0.7 1,-0.1 7,-0.1 -0.285 75.0-115.8 -62.7 139.0 -13.7 -52.3 14.0 174 176 A D > - 0 0 61 1,-0.2 4,-1.7 2,-0.1 -1,-0.1 -0.610 24.1-159.1 -75.0 113.9 -14.0 -54.9 16.7 175 177 A K T 4 S+ 0 0 115 -2,-0.7 5,-0.2 1,-0.2 -1,-0.2 0.453 87.9 50.0 -81.1 -2.5 -17.7 -55.0 17.4 176 178 A Q T 4 S+ 0 0 186 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.759 114.8 41.8 -95.4 -37.6 -17.3 -56.7 20.8 177 179 A R T 4 S+ 0 0 75 -22,-0.1 -21,-2.9 -21,-0.0 2,-0.2 0.727 125.6 30.5 -78.0 -25.4 -14.7 -54.2 22.1 178 180 A H S < S- 0 0 1 -4,-1.7 2,-0.6 -22,-0.2 -20,-0.2 -0.754 82.5-115.0-128.1 171.8 -16.5 -51.1 20.6 179 181 A H E -d 158 0B 58 -22,-2.8 -20,-2.7 -2,-0.2 2,-0.5 -0.933 30.4-170.0-118.3 106.2 -20.1 -50.2 19.9 180 182 A V E -d 159 0B 19 -2,-0.6 2,-0.4 -5,-0.2 -20,-0.2 -0.876 4.2-176.8-105.6 123.9 -20.8 -49.8 16.2 181 183 A L E -d 160 0B 26 -22,-2.9 -20,-3.0 -2,-0.5 2,-0.4 -0.961 7.8-162.2-119.7 134.1 -24.2 -48.4 15.0 182 184 A K E +d 161 0B 107 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.0 -0.905 19.3 147.6-121.6 145.7 -25.1 -48.0 11.4 183 185 A A E -d 162 0B 8 -22,-2.0 -20,-2.7 -2,-0.4 12,-0.1 -0.969 50.3 -78.1-156.7 169.2 -27.7 -46.0 9.5 184 186 A P - 0 0 33 0, 0.0 14,-0.1 0, 0.0 6,-0.1 -0.244 64.0 -83.1 -63.9 162.3 -28.2 -44.3 6.2 185 187 A H - 0 0 12 -23,-0.2 10,-0.2 1,-0.1 8,-0.2 -0.374 32.4-126.5 -64.4 144.6 -26.5 -40.9 5.7 186 188 A P S S+ 0 0 0 0, 0.0 -97,-0.2 0, 0.0 5,-0.1 0.577 73.0 119.5 -72.5 -6.5 -28.4 -37.9 7.0 187 189 A S S >> S- 0 0 7 1,-0.1 4,-2.6 3,-0.1 3,-2.4 -0.214 81.3-114.5 -50.0 146.8 -28.2 -36.2 3.6 188 190 A P T 34 S+ 0 0 69 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.776 115.6 69.6 -50.9 -24.1 -31.6 -35.4 2.0 189 191 A L T 34 S+ 0 0 127 1,-0.2 -2,-0.1 2,-0.1 -4,-0.0 0.712 123.0 4.3 -67.9 -21.1 -30.5 -38.0 -0.6 190 192 A S T X4 S+ 0 0 3 -3,-2.4 3,-2.2 -5,-0.2 5,-0.4 0.496 95.1 102.4-140.3 -8.2 -30.8 -40.8 1.9 191 193 A A G >X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.3 4,-1.4 0.811 81.5 58.2 -61.4 -33.8 -32.2 -39.7 5.3 192 194 A H G 345S+ 0 0 161 -4,-0.3 -1,-0.3 1,-0.3 -3,-0.0 0.513 91.1 73.1 -74.5 -2.9 -35.8 -41.1 4.6 193 195 A R G <45S- 0 0 180 -3,-2.2 -1,-0.3 -8,-0.2 -2,-0.2 0.370 134.4 -53.4 -89.0 4.7 -34.3 -44.5 4.1 194 196 A G T <45S+ 0 0 31 -3,-1.4 -2,-0.2 -4,-0.1 -3,-0.1 0.427 110.2 102.3 140.0 -2.8 -33.7 -44.9 7.8 195 197 A F T ><5S+ 0 0 0 -4,-1.4 3,-2.4 -5,-0.4 4,-0.4 0.949 77.5 70.1 -66.8 -52.5 -31.6 -42.1 9.2 196 198 A F T 3 + 0 0 51 -4,-0.4 4,-2.5 1,-0.1 3,-0.2 0.696 36.6 149.7 60.6 28.7 -32.1 -43.0 17.4 200 202 A H H > + 0 0 7 -5,-0.2 4,-2.4 1,-0.2 5,-0.2 0.790 62.8 56.1 -66.9 -31.1 -28.3 -43.0 17.4 201 203 A F H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 112.8 41.5 -70.2 -40.9 -27.8 -40.0 19.6 202 204 A V H > S+ 0 0 23 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 114.6 52.5 -66.2 -45.1 -29.9 -41.5 22.4 203 205 A L H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.901 107.0 51.9 -62.7 -38.5 -28.3 -44.9 21.8 204 206 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.932 111.8 47.4 -59.9 -43.9 -24.8 -43.5 22.1 205 207 A N H X S+ 0 0 21 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.877 108.6 53.8 -68.0 -36.2 -25.8 -41.8 25.4 206 208 A Q H X S+ 0 0 90 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.925 109.9 48.7 -63.9 -41.2 -27.4 -45.1 26.8 207 209 A W H X S+ 0 0 51 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.954 110.5 50.0 -59.5 -49.3 -24.1 -46.9 26.0 208 210 A L H <>S+ 0 0 2 -4,-2.4 5,-2.9 1,-0.2 4,-0.4 0.926 112.1 47.4 -58.6 -45.1 -22.1 -44.2 27.8 209 211 A E H ><5S+ 0 0 116 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.902 109.8 53.1 -66.1 -35.7 -24.3 -44.3 30.9 210 212 A Q H 3<5S+ 0 0 154 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.0 52.0 -67.3 -28.9 -24.1 -48.2 30.9 211 213 A R T 3<5S- 0 0 113 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.512 122.5-110.5 -77.8 -9.9 -20.3 -47.8 30.8 212 214 A G T < 5S+ 0 0 70 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.687 78.3 124.7 82.7 22.8 -20.5 -45.4 33.8 213 215 A E < - 0 0 66 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.684 68.4 -92.0-110.7 165.1 -19.5 -42.3 31.8 214 216 A T - 0 0 98 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.0 -0.505 42.7-121.4 -77.3 141.7 -21.2 -39.0 31.3 215 217 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.321 30.2 -97.6 -74.5 163.4 -23.6 -38.7 28.2 216 218 A I - 0 0 6 -15,-0.2 2,-0.9 -100,-0.0 -11,-0.1 -0.674 22.5-138.6 -78.2 134.5 -23.1 -36.2 25.4 217 219 A D - 0 0 97 -2,-0.4 -102,-0.1 -106,-0.1 -1,-0.0 -0.862 19.3-164.3 -88.1 106.3 -25.1 -33.0 25.6 218 220 A W + 0 0 1 -2,-0.9 -1,-0.1 2,-0.1 -106,-0.1 0.501 56.4 104.4 -78.2 -5.9 -26.0 -32.8 21.9 219 221 A M S S- 0 0 54 -108,-0.1 2,-0.2 -125,-0.0 -2,-0.1 -0.686 72.0-135.5 -73.9 116.0 -27.2 -29.1 22.0 220 222 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 -111,-0.1 -0.491 15.2-148.0 -77.7 149.0 -24.3 -27.2 20.4 221 223 A V - 0 0 89 -2,-0.2 -110,-0.4 -117,-0.1 -111,-0.1 -0.931 9.3-128.4-121.0 133.8 -23.0 -24.0 21.9 222 224 A L 0 0 73 -2,-0.4 -113,-0.0 1,-0.1 -116,-0.0 -0.535 360.0 360.0 -74.6 140.0 -21.5 -20.9 20.2 223 225 A P 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -112,-0.0 0.174 360.0 360.0 -79.7 360.0 -18.1 -19.7 21.6 224 !* 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 0.0 225 175 B D 0 0 101 0, 0.0 -182,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.4 -0.6 -26.7 12.4 226 176 B I - 0 0 54 -184,-0.1 2,-0.5 1,-0.1 -186,-0.0 -0.942 360.0-154.6-112.9 116.0 -0.4 -30.4 13.2 227 177 B P 0 0 29 0, 0.0 -221,-0.3 0, 0.0 -222,-0.2 -0.036 360.0 360.0 -84.4 35.4 -1.5 -31.3 16.8 228 178 B F 0 0 11 -2,-0.5 -215,-0.1 -223,-0.1 -219,-0.1 0.245 360.0 360.0-158.4 360.0 0.6 -34.5 17.0 229 !* 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 0.0 230 175 C D 0 0 159 0, 0.0 -41,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.1 -22.5 -40.0 -4.0 231 176 C I + 0 0 34 1,-0.1 -170,-0.1 -42,-0.0 -169,-0.1 -0.724 360.0 166.5-131.8 89.7 -22.6 -38.2 -0.7 232 177 C P 0 0 19 0, 0.0 -170,-2.3 0, 0.0 -171,-0.7 0.785 360.0 360.0 -71.4 -26.9 -19.6 -36.0 0.1 233 178 C F 0 0 61 -172,-0.2 -159,-0.0 -173,-0.1 -48,-0.0 -0.918 360.0 360.0-173.8 360.0 -21.5 -34.2 2.9