==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 22-FEB-07 2OYT . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.BIANCHET,KROSKY D.J.,J.T STIVERS,L.M.AMZEL . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.6 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 1 0 1 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 0 1 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 82 A M 0 0 233 0, 0.0 2,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 122.9 -8.7 -10.9 -10.9 2 83 A E - 0 0 135 2,-0.5 4,-0.1 1,-0.0 40,-0.0 -0.588 360.0 -62.6-142.6-158.4 -5.7 -12.2 -9.0 3 84 A F S S+ 0 0 74 -2,-0.2 2,-0.4 2,-0.1 45,-0.3 0.890 110.9 57.6 -68.0 -44.0 -2.6 -11.5 -6.8 4 85 A F S S- 0 0 26 43,-0.1 -2,-0.5 45,-0.0 2,-0.1 -0.722 86.7-122.1 -87.2 135.6 -0.7 -9.5 -9.4 5 86 A G > - 0 0 16 -2,-0.4 4,-2.6 40,-0.3 3,-0.3 -0.467 33.9-111.2 -64.6 149.9 -2.1 -6.3 -11.0 6 87 A E H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.882 113.1 46.3 -57.6 -48.2 -2.2 -6.8 -14.8 7 88 A S H > S+ 0 0 19 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.797 114.9 48.1 -67.0 -31.3 0.5 -4.2 -15.8 8 89 A W H > S+ 0 0 2 -3,-0.3 4,-0.8 40,-0.3 3,-0.3 0.906 110.9 50.3 -74.3 -44.9 2.9 -5.5 -13.2 9 90 A K H >X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 3,-0.9 0.909 106.8 56.3 -57.5 -45.9 2.3 -9.1 -14.2 10 91 A K H 3< S+ 0 0 145 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 115.8 36.0 -53.7 -38.5 3.0 -8.2 -17.8 11 92 A H H 3< S+ 0 0 72 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.391 125.2 37.6-103.7 2.0 6.4 -6.7 -17.0 12 93 A L H X< S+ 0 0 3 -3,-0.9 3,-2.0 -4,-0.8 4,-0.3 0.451 84.8 94.3-127.2 -8.6 7.5 -9.1 -14.2 13 94 A S G >< S+ 0 0 51 -4,-2.0 3,-1.0 1,-0.3 4,-0.5 0.686 70.9 75.3 -63.7 -20.2 6.2 -12.5 -15.4 14 95 A G G 3 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.648 91.4 58.1 -64.0 -15.9 9.6 -13.3 -17.0 15 96 A E G X S+ 0 0 28 -3,-2.0 3,-1.4 1,-0.1 6,-0.4 0.742 86.5 78.1 -81.4 -26.4 10.8 -13.9 -13.5 16 97 A F T < S+ 0 0 64 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.1 0.813 94.4 45.0 -58.9 -38.3 8.3 -16.7 -12.7 17 98 A G T 3 S+ 0 0 65 -4,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.506 88.1 110.0 -86.0 -6.2 10.1 -19.5 -14.7 18 99 A K S X> S- 0 0 91 -3,-1.4 4,-1.7 -4,-0.1 3,-1.0 -0.500 77.0-121.7 -74.1 138.1 13.5 -18.6 -13.3 19 100 A P H 3> S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.815 109.7 55.9 -45.9 -43.8 15.0 -21.2 -10.8 20 101 A Y H 3> S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.862 108.2 48.5 -60.9 -37.0 15.4 -18.6 -8.0 21 102 A F H <> S+ 0 0 17 -3,-1.0 4,-2.7 -6,-0.4 -1,-0.2 0.884 110.5 49.3 -73.9 -39.6 11.7 -17.8 -8.1 22 103 A I H X S+ 0 0 99 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.925 114.2 46.6 -62.8 -43.6 10.6 -21.4 -8.1 23 104 A K H X S+ 0 0 147 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.825 111.8 52.3 -67.6 -33.6 12.9 -22.0 -5.1 24 105 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.958 111.2 44.4 -63.7 -53.9 11.6 -18.8 -3.4 25 106 A M H X S+ 0 0 78 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.838 113.3 52.6 -62.5 -34.8 7.9 -19.8 -3.7 26 107 A G H X S+ 0 0 40 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.907 108.6 50.4 -64.5 -43.7 8.8 -23.3 -2.6 27 108 A F H X S+ 0 0 33 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.908 110.4 48.6 -61.3 -46.4 10.5 -21.9 0.5 28 109 A V H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.911 110.3 52.0 -60.9 -44.4 7.5 -19.7 1.4 29 110 A A H X S+ 0 0 49 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.904 111.2 46.9 -57.2 -45.2 5.1 -22.7 1.0 30 111 A E H X S+ 0 0 98 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.892 111.5 51.4 -65.0 -42.4 7.3 -24.8 3.3 31 112 A E H >X S+ 0 0 16 -4,-2.4 4,-2.8 1,-0.2 3,-0.8 0.895 105.8 55.1 -58.9 -43.9 7.5 -22.0 5.9 32 113 A R H 3< S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.733 104.2 56.2 -64.0 -23.1 3.7 -21.6 5.8 33 114 A K H 3< S+ 0 0 154 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.759 121.8 24.4 -77.9 -26.3 3.3 -25.3 6.7 34 115 A H H << S+ 0 0 122 -4,-0.8 2,-0.3 -3,-0.8 -2,-0.2 0.579 127.2 26.0-118.6 -14.8 5.5 -25.0 9.9 35 116 A Y S < S- 0 0 113 -4,-2.8 2,-0.6 -5,-0.2 -1,-0.1 -0.871 83.7 -95.2-138.6 169.7 5.2 -21.4 10.9 36 117 A T - 0 0 84 -2,-0.3 94,-3.1 94,-0.1 2,-0.4 -0.847 45.0-164.8 -87.5 124.7 2.9 -18.4 10.7 37 118 A V E -A 129 0A 9 -2,-0.6 92,-0.2 92,-0.2 30,-0.0 -0.927 15.4-107.4-116.8 136.6 4.1 -16.3 7.7 38 119 A Y E S+A 128 0A 31 90,-2.9 90,-2.1 -2,-0.4 35,-0.1 -0.869 83.9 26.7-116.1 149.3 3.1 -12.7 6.9 39 120 A P S S- 0 0 0 0, 0.0 34,-0.1 0, 0.0 5,-0.1 0.737 92.9-103.9 -77.4 176.7 1.4 -11.3 5.0 40 121 A P >> - 0 0 47 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.266 39.0-104.9 -53.5 151.3 -1.3 -13.8 3.9 41 122 A P G >4 S+ 0 0 64 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.828 120.4 55.3 -51.5 -39.6 -0.6 -15.3 0.4 42 123 A H G 34 S+ 0 0 106 1,-0.2 3,-0.0 2,-0.1 31,-0.0 0.567 110.8 46.3 -72.4 -8.5 -3.3 -13.2 -1.2 43 124 A Q G X4 S+ 0 0 29 -3,-2.3 3,-1.1 1,-0.1 -1,-0.2 0.383 81.4 93.5-116.0 1.3 -1.8 -10.0 0.2 44 125 A V T << S+ 0 0 6 -3,-0.9 3,-0.3 -4,-0.5 -2,-0.1 0.877 96.1 37.6 -58.8 -38.5 1.9 -10.5 -0.7 45 126 A F T > S+ 0 0 9 -4,-0.4 3,-2.3 1,-0.2 -40,-0.3 0.014 73.6 122.7-108.6 27.6 1.6 -8.6 -4.0 46 127 A T G X + 0 0 9 -3,-1.1 3,-2.3 1,-0.3 4,-0.3 0.811 65.8 72.6 -57.1 -31.7 -0.9 -5.8 -2.9 47 128 A W G 3 S+ 0 0 6 27,-0.9 -1,-0.3 -3,-0.3 4,-0.2 0.555 94.6 53.4 -60.8 -10.0 1.8 -3.3 -4.0 48 129 A T G < S+ 0 0 2 -3,-2.3 -40,-0.3 -45,-0.3 -1,-0.3 0.420 100.3 62.8 -99.8 -3.4 0.8 -4.3 -7.6 49 130 A Q S < S+ 0 0 94 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.1 0.374 87.5 67.8-105.4 3.2 -2.9 -3.7 -7.1 50 131 A M S S- 0 0 36 1,-0.3 2,-0.3 -4,-0.3 -1,-0.1 0.754 108.3 -4.5-103.2 -30.7 -3.0 0.1 -6.4 51 132 A C S S- 0 0 24 -4,-0.2 -1,-0.3 66,-0.1 2,-0.1 -0.969 81.0 -85.0-154.5 160.7 -1.9 1.8 -9.7 52 133 A D > - 0 0 59 -2,-0.3 3,-1.8 64,-0.1 4,-0.2 -0.467 42.6-119.0 -64.3 143.3 -0.7 0.9 -13.1 53 134 A I G > S+ 0 0 1 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.790 113.5 57.9 -57.2 -31.2 3.1 0.3 -13.2 54 135 A K G 3 S+ 0 0 155 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.643 100.1 59.1 -74.9 -14.4 3.5 3.2 -15.7 55 136 A D G < S+ 0 0 93 -3,-1.8 2,-0.3 64,-0.0 -1,-0.2 0.339 75.2 120.1 -96.6 3.7 1.8 5.6 -13.3 56 137 A V < + 0 0 4 -3,-1.1 63,-0.2 -4,-0.2 62,-0.1 -0.562 25.5 160.5 -69.4 129.1 4.4 5.0 -10.5 57 138 A K + 0 0 41 61,-3.3 103,-1.8 1,-0.4 2,-0.4 0.619 62.8 32.8-118.5 -31.8 6.1 8.3 -9.7 58 139 A V E -bc 119 160B 0 60,-2.1 62,-2.9 101,-0.2 2,-0.5 -0.973 62.8-157.1-131.5 140.8 7.6 7.6 -6.2 59 140 A V E -bc 120 161B 0 101,-3.2 103,-3.8 -2,-0.4 2,-0.6 -0.979 2.2-167.6-120.2 116.6 9.0 4.4 -4.7 60 141 A I E -bc 121 162B 0 60,-2.8 62,-2.0 -2,-0.5 2,-0.5 -0.933 14.5-168.5 -96.5 120.9 9.1 4.0 -1.0 61 142 A L E +bc 122 163B 0 101,-3.1 103,-2.6 -2,-0.6 62,-0.2 -0.949 9.2 173.7-117.0 118.4 11.3 0.9 -0.3 62 143 A G E -b 123 0B 0 60,-2.3 62,-2.2 -2,-0.5 63,-0.1 -0.330 38.8-100.3-105.7-165.6 11.5 -0.6 3.2 63 144 A Q S S- 0 0 43 1,-0.3 62,-1.8 60,-0.2 -1,-0.1 0.973 77.7 -42.0 -84.4 -66.7 13.1 -3.8 4.7 64 145 A D S S- 0 0 16 60,-0.2 -1,-0.3 59,-0.1 62,-0.2 -0.947 71.9 -64.6-160.5 170.8 10.4 -6.5 5.1 65 146 A P - 0 0 11 0, 0.0 69,-0.3 0, 0.0 -27,-0.1 -0.229 61.5 -86.3 -66.4 154.5 6.8 -6.9 6.2 66 147 A Y - 0 0 33 12,-0.2 6,-0.4 1,-0.1 5,-0.1 -0.334 35.7-150.3 -51.4 137.3 5.5 -6.3 9.7 67 148 A H + 0 0 69 -3,-0.1 64,-3.0 4,-0.1 65,-0.1 0.143 63.0 93.6-108.3 17.3 6.0 -9.5 11.7 68 149 A G S >> S- 0 0 9 62,-0.2 3,-1.2 63,-0.1 4,-0.5 -0.698 88.2 -78.1-103.1 161.5 3.1 -9.2 14.1 69 150 A P T 34 S- 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.315 108.1 -0.4 -63.6 139.2 -0.4 -10.6 13.7 70 151 A N T 34 S+ 0 0 129 2,-0.1 10,-0.2 1,-0.1 13,-0.1 0.638 107.5 99.8 61.2 22.2 -2.9 -8.8 11.4 71 152 A Q T <4 + 0 0 49 -3,-1.2 9,-0.5 -5,-0.1 -1,-0.1 0.903 58.8 65.6 -98.7 -69.1 -0.4 -6.1 10.5 72 153 A A < + 0 0 10 -4,-0.5 7,-0.1 -6,-0.4 -2,-0.1 -0.318 44.0 163.3 -61.6 132.8 1.3 -6.7 7.1 73 154 A H - 0 0 3 5,-0.4 -1,-0.1 2,-0.4 3,-0.1 0.128 67.8 -81.7-138.9 24.5 -0.9 -6.5 4.0 74 155 A G S S+ 0 0 14 1,-0.2 -27,-0.9 4,-0.1 2,-0.5 0.429 103.6 96.0 94.3 -0.4 1.5 -6.1 1.1 75 156 A L S > S- 0 0 5 3,-0.2 3,-1.8 -29,-0.1 -2,-0.4 -0.992 84.3-107.3-119.8 123.0 2.1 -2.4 1.3 76 157 A C T 3 S- 0 0 1 45,-1.6 3,-0.1 -2,-0.5 46,-0.1 -0.179 96.9 -3.7 -53.1 131.8 5.3 -1.3 3.2 77 158 A F T 3 S+ 0 0 12 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.267 104.7 125.6 72.9 -6.2 4.5 0.3 6.6 78 159 A S < - 0 0 0 -3,-1.8 -5,-0.4 43,-0.1 2,-0.4 -0.538 38.6-171.0 -89.1 144.4 0.7 0.1 6.0 79 160 A V - 0 0 0 30,-2.7 30,-0.4 -2,-0.2 2,-0.1 -0.998 22.0-126.3-133.0 133.8 -1.9 -1.5 8.3 80 161 A Q > - 0 0 79 -9,-0.5 3,-1.8 -2,-0.4 0, 0.0 -0.458 51.7 -54.9 -75.8 145.9 -5.6 -2.0 7.3 81 162 A R T 3 S+ 0 0 145 1,-0.3 -1,-0.1 -2,-0.1 27,-0.1 -0.272 118.9 21.9 -55.0 144.5 -8.4 -0.7 9.6 82 163 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.937 96.0 105.7 -95.3 17.1 -9.0 -1.1 12.5 83 164 A V S < S- 0 0 19 -3,-1.8 26,-0.5 -13,-0.1 -4,-0.1 -0.296 73.6-117.3 -59.5 128.4 -5.3 -2.1 13.2 84 165 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.424 35.7 -95.9 -65.0 140.0 -3.4 0.6 15.1 85 166 A P - 0 0 19 0, 0.0 -7,-0.1 0, 0.0 25,-0.0 -0.403 45.5-123.6 -51.3 123.0 -0.4 2.1 13.2 86 167 A P > - 0 0 8 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.179 33.3 -90.7 -62.4 165.2 2.7 0.2 14.5 87 168 A P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.846 127.4 56.3 -47.7 -42.3 5.6 2.2 16.0 88 169 A S H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.928 109.2 45.2 -55.4 -48.7 7.3 2.6 12.6 89 170 A L H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.862 108.4 55.6 -68.1 -37.3 4.2 4.2 11.0 90 171 A E H X S+ 0 0 70 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.885 108.5 50.3 -59.9 -37.8 3.7 6.5 14.0 91 172 A N H X S+ 0 0 23 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.903 108.5 50.8 -65.0 -42.8 7.3 7.7 13.4 92 173 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.928 111.7 48.5 -57.4 -45.5 6.4 8.2 9.7 93 174 A Y H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.850 108.7 53.8 -63.7 -37.2 3.4 10.2 10.8 94 175 A K H X S+ 0 0 145 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.899 110.3 46.1 -63.5 -42.7 5.6 12.2 13.2 95 176 A E H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 3,-0.4 0.913 110.8 53.5 -65.3 -42.4 8.0 13.2 10.4 96 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 7,-0.3 0.842 103.3 57.3 -61.2 -36.4 5.1 14.1 8.1 97 178 A S H < S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.6 35.3 -64.5 -36.5 3.6 16.4 10.8 98 179 A T H < S+ 0 0 106 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.800 123.3 45.0 -84.7 -30.7 6.8 18.5 10.9 99 180 A D H < S+ 0 0 6 -4,-2.5 2,-0.6 1,-0.2 -2,-0.2 0.873 112.7 48.2 -82.4 -40.6 7.7 18.1 7.2 100 181 A I S >< S- 0 0 26 -4,-2.9 3,-1.7 -5,-0.2 -1,-0.2 -0.919 74.0-150.0-111.5 112.1 4.2 18.8 5.7 101 182 A E T 3 S+ 0 0 179 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.840 94.5 39.0 -48.4 -46.6 2.5 21.9 7.1 102 183 A D T 3 S+ 0 0 109 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.432 88.6 117.4 -90.2 -1.2 -1.1 20.7 6.7 103 184 A F < + 0 0 5 -3,-1.7 2,-0.3 -7,-0.3 -3,-0.1 -0.523 34.7 171.9 -76.3 130.2 -0.5 17.1 7.7 104 185 A V - 0 0 111 -2,-0.3 -2,-0.0 117,-0.0 -10,-0.0 -0.961 48.2 -78.5-130.0 152.7 -2.3 15.7 10.7 105 186 A H - 0 0 87 -2,-0.3 -15,-0.0 1,-0.2 116,-0.0 -0.238 38.4-145.9 -48.1 125.0 -2.5 12.1 12.0 106 187 A P - 0 0 42 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.611 30.2-119.6 -77.5 -13.2 -5.2 10.4 9.9 107 188 A G S S+ 0 0 65 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.608 87.0 54.2 84.7 13.7 -6.5 8.1 12.7 108 189 A H S S- 0 0 22 -27,-0.1 -1,-0.3 -24,-0.1 -28,-0.1 -0.937 76.1-126.1-161.1 175.4 -5.6 4.9 10.9 109 190 A G + 0 0 0 -26,-0.5 -30,-2.7 -30,-0.4 2,-0.7 0.204 59.6 125.8-119.0 15.7 -2.7 3.2 9.2 110 191 A D > - 0 0 17 -32,-0.2 3,-0.5 1,-0.1 -30,-0.1 -0.681 33.0-175.8 -84.7 112.2 -3.9 2.3 5.8 111 192 A L T >> + 0 0 1 -2,-0.7 4,-1.7 1,-0.2 3,-1.0 0.206 52.0 110.9 -94.4 15.5 -1.5 3.8 3.2 112 193 A S H 3> + 0 0 19 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.837 69.8 67.3 -55.6 -35.1 -3.6 2.7 0.1 113 194 A G H <> S+ 0 0 11 -3,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.863 104.0 42.0 -52.5 -43.2 -4.3 6.4 -0.4 114 195 A W H X4>S+ 0 0 2 -3,-1.0 5,-1.3 2,-0.2 3,-1.0 0.904 111.4 54.9 -70.0 -44.8 -0.6 7.0 -1.3 115 196 A A H ><5S+ 0 0 2 -4,-1.7 3,-1.5 1,-0.3 -2,-0.2 0.863 103.2 55.9 -59.5 -38.7 -0.3 3.9 -3.4 116 197 A K H 3<5S+ 0 0 140 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.750 101.3 59.5 -64.3 -25.7 -3.3 5.0 -5.6 117 198 A Q T <<5S- 0 0 31 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.358 132.1 -89.1 -84.5 3.4 -1.4 8.2 -6.3 118 199 A G T < 5S+ 0 0 1 -3,-1.5 -61,-3.3 1,-0.2 -60,-2.1 0.724 82.9 138.1 93.4 24.8 1.5 6.3 -7.8 119 200 A V E < -b 58 0B 1 -5,-1.3 2,-0.5 -62,-0.2 -1,-0.2 -0.902 46.9-144.1 -98.4 105.6 3.6 5.8 -4.7 120 201 A L E -b 59 0B 4 -62,-2.9 -60,-2.8 -2,-0.8 2,-1.1 -0.599 7.6-157.5 -70.0 117.1 5.0 2.2 -4.9 121 202 A L E +b 60 0B 2 -2,-0.5 -45,-1.6 -62,-0.2 2,-0.3 -0.698 30.5 163.2 -98.8 81.7 5.0 0.9 -1.3 122 203 A L E -b 61 0B 0 -62,-2.0 -60,-2.3 -2,-1.1 2,-0.3 -0.719 30.4-154.3-104.8 147.2 7.6 -1.9 -1.7 123 204 A N E -b 62 0B 10 -2,-0.3 -60,-0.2 -62,-0.2 -59,-0.1 -0.910 24.5-128.8-109.4 149.1 9.7 -3.9 0.7 124 205 A A S S+ 0 0 2 -62,-2.2 2,-0.4 -2,-0.3 21,-0.4 0.859 104.0 36.2 -62.7 -37.2 13.0 -5.5 -0.3 125 206 A V S S- 0 0 1 -62,-1.8 -1,-0.1 -63,-0.1 12,-0.1 -0.960 75.0-159.8-117.8 137.3 11.8 -8.8 1.1 126 207 A L + 0 0 7 -2,-0.4 2,-0.3 10,-0.2 -62,-0.1 0.507 66.7 41.1-107.7 -7.0 8.1 -9.6 0.7 127 208 A T - 0 0 0 9,-0.1 9,-0.3 -62,-0.1 2,-0.3 -0.909 60.7-169.5-129.3 165.5 7.3 -12.3 3.3 128 209 A V E -A 38 0A 0 -90,-2.1 -90,-2.9 -2,-0.3 2,-0.4 -0.989 25.6-117.3-152.8 144.7 8.4 -12.8 7.0 129 210 A R E > -A 37 0A 47 3,-0.5 3,-2.0 -2,-0.3 -92,-0.2 -0.687 55.0 -87.2 -79.1 135.5 8.2 -15.4 9.7 130 211 A A T 3 S+ 0 0 14 -94,-3.1 -62,-0.2 -2,-0.4 -1,-0.1 -0.083 107.3 0.8 -43.5 133.6 6.1 -14.4 12.7 131 212 A H T 3 S+ 0 0 139 -64,-3.0 2,-0.4 1,-0.1 -1,-0.3 0.498 108.5 101.1 67.2 9.8 8.0 -12.4 15.3 132 213 A Q X - 0 0 89 -3,-2.0 3,-1.7 -65,-0.1 -3,-0.5 -0.808 64.7-144.3-131.8 92.9 11.4 -12.6 13.4 133 214 A A T 3 S+ 0 0 57 -2,-0.4 -67,-0.1 1,-0.3 -5,-0.1 -0.271 83.6 0.2 -57.3 131.5 12.4 -9.4 11.5 134 215 A N T > S+ 0 0 18 -69,-0.3 3,-1.4 1,-0.1 -1,-0.3 0.667 84.4 139.3 64.7 22.1 14.2 -10.2 8.2 135 216 A S T < S+ 0 0 30 -3,-1.7 -2,-0.1 1,-0.3 -7,-0.1 0.719 70.2 52.2 -67.3 -22.6 13.9 -13.9 8.7 136 217 A H T > S+ 0 0 0 -9,-0.3 3,-0.5 -4,-0.2 5,-0.4 0.163 82.8 124.9-102.5 18.6 13.1 -14.4 5.0 137 218 A K T < + 0 0 68 -3,-1.4 -12,-0.0 1,-0.2 -73,-0.0 -0.341 67.3 23.9 -71.1 157.4 16.1 -12.4 3.7 138 219 A E T 3 S+ 0 0 150 1,-0.1 -1,-0.2 -2,-0.1 -13,-0.0 0.839 92.1 107.4 55.7 39.7 18.6 -14.0 1.2 139 220 A R S < S- 0 0 136 -3,-0.5 -112,-0.2 -112,-0.0 -2,-0.1 0.397 103.5 -74.0-122.5 -3.2 15.9 -16.5 -0.0 140 221 A G S > S+ 0 0 1 -4,-0.1 4,-1.4 -116,-0.1 3,-0.1 0.136 107.3 100.8 128.7 -20.8 15.1 -15.1 -3.5 141 222 A W H > S+ 0 0 3 -5,-0.4 4,-3.0 1,-0.2 5,-0.3 0.867 77.9 60.5 -63.1 -37.5 13.0 -11.9 -2.8 142 223 A E H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 105.0 47.6 -57.9 -45.9 16.0 -9.6 -3.3 143 224 A Q H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.878 113.3 49.4 -63.1 -38.6 16.4 -10.7 -6.9 144 225 A F H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.930 112.8 44.7 -67.8 -46.7 12.7 -10.3 -7.5 145 226 A T H X S+ 0 0 0 -4,-3.0 4,-2.3 -21,-0.4 -2,-0.2 0.782 107.9 60.1 -69.3 -27.6 12.5 -6.8 -6.0 146 227 A D H X S+ 0 0 71 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.873 102.7 52.8 -58.5 -39.5 15.7 -6.0 -8.0 147 228 A A H X S+ 0 0 20 -4,-1.3 4,-1.7 -3,-0.2 -2,-0.2 0.817 108.2 50.5 -68.4 -32.0 13.6 -6.8 -11.1 148 229 A V H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.961 114.6 41.9 -66.3 -54.6 10.9 -4.4 -10.0 149 230 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.902 114.2 52.7 -59.5 -45.0 13.4 -1.5 -9.4 150 231 A S H X S+ 0 0 65 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.878 108.0 49.8 -62.4 -41.0 15.3 -2.3 -12.6 151 232 A W H X S+ 0 0 44 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.933 114.0 45.6 -63.2 -45.5 12.2 -2.2 -14.8 152 233 A L H X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.903 110.1 54.8 -63.7 -43.8 11.2 1.1 -13.3 153 234 A N H < S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.0 38.2 -51.8 -42.1 14.7 2.5 -13.7 154 235 A Q H < S+ 0 0 128 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.818 121.7 39.1 -84.9 -36.2 14.7 1.6 -17.4 155 236 A N H < S+ 0 0 90 -4,-2.3 2,-0.2 -5,-0.2 -2,-0.2 0.426 111.3 56.4-101.2 -0.5 11.2 2.5 -18.5 156 237 A S < - 0 0 16 -4,-1.3 2,-0.3 -5,-0.2 -99,-0.1 -0.736 62.5-144.8-125.3 172.4 10.6 5.7 -16.5 157 238 A N S S+ 0 0 103 -2,-0.2 23,-0.2 1,-0.1 22,-0.1 -0.998 73.4 8.9-139.7 140.6 12.1 9.1 -15.9 158 239 A G S S+ 0 0 12 21,-1.9 22,-0.2 -2,-0.3 2,-0.1 0.788 76.7 165.8 66.4 32.5 12.5 11.4 -12.9 159 240 A L - 0 0 0 20,-0.1 22,-3.1 -7,-0.1 2,-0.6 -0.426 33.6-133.1 -73.0 153.3 11.3 8.8 -10.3 160 241 A V E -cd 58 181B 0 -103,-1.8 -101,-3.2 20,-0.2 2,-0.6 -0.947 19.2-165.6-110.6 112.0 11.8 9.5 -6.6 161 242 A F E -cd 59 182B 0 20,-2.4 22,-3.0 -2,-0.6 2,-0.7 -0.880 2.8-165.3 -98.4 121.8 13.2 6.5 -4.8 162 243 A L E -cd 60 183B 0 -103,-3.8 -101,-3.1 -2,-0.6 2,-0.8 -0.922 6.9-166.0-107.5 106.7 13.0 6.7 -1.0 163 244 A L E -cd 61 184B 0 20,-2.7 22,-1.8 -2,-0.7 2,-0.8 -0.824 2.7-168.8-102.6 104.6 15.3 4.0 0.4 164 245 A W E - d 0 185B 1 -103,-2.6 4,-0.3 -2,-0.8 22,-0.2 -0.825 52.6 -2.8-103.3 105.0 14.6 3.4 4.1 165 246 A G S > S- 0 0 6 20,-2.4 4,-2.0 -2,-0.8 3,-0.1 -0.076 89.8 -72.2 101.0 161.3 17.2 1.3 5.9 166 247 A S T 4 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.868 126.8 50.3 -55.8 -44.5 20.3 -0.7 5.0 167 248 A Y T >4 S+ 0 0 57 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.879 110.8 47.3 -69.4 -40.5 18.5 -3.5 3.2 168 249 A A G >4 S+ 0 0 0 -4,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.893 106.0 61.8 -60.3 -40.8 16.4 -1.1 1.0 169 250 A Q G >< S+ 0 0 58 -4,-2.0 3,-1.4 1,-0.3 4,-0.3 0.584 81.4 80.5 -67.7 -12.7 19.6 0.8 0.2 170 251 A K G X S+ 0 0 116 -3,-0.8 3,-0.6 -4,-0.5 -1,-0.3 0.740 88.0 59.0 -61.7 -22.5 21.2 -2.3 -1.4 171 252 A K G X S+ 0 0 5 -3,-1.8 3,-1.3 -4,-0.2 4,-0.3 0.536 77.6 92.2 -86.9 -7.0 19.1 -1.4 -4.5 172 253 A G G X S+ 0 0 0 -3,-1.4 3,-1.2 1,-0.2 -1,-0.2 0.798 77.8 61.5 -55.0 -33.7 20.7 2.1 -4.8 173 254 A S G < S+ 0 0 114 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.746 98.3 56.5 -69.5 -24.6 23.3 0.7 -7.2 174 255 A A G < S+ 0 0 39 -3,-1.3 2,-0.5 -4,-0.1 -1,-0.3 0.480 92.4 89.0 -84.8 -3.3 20.7 -0.3 -9.8 175 256 A I S < S- 0 0 6 -3,-1.2 2,-0.7 -4,-0.3 7,-0.1 -0.853 81.6-125.2-104.3 126.4 19.3 3.2 -10.0 176 257 A D > - 0 0 72 -2,-0.5 4,-2.6 1,-0.2 -2,-0.1 -0.593 24.6-155.1 -64.1 108.8 20.6 5.8 -12.5 177 258 A R T 4 S+ 0 0 121 -2,-0.7 5,-0.3 1,-0.2 -1,-0.2 0.563 88.3 41.1 -73.8 -12.1 21.3 8.6 -9.9 178 259 A K T 4 S+ 0 0 193 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.772 116.2 47.3 -98.5 -38.4 21.0 11.4 -12.4 179 260 A R T 4 S+ 0 0 74 -22,-0.1 -21,-1.9 -21,-0.0 2,-0.3 0.849 125.1 25.9 -71.7 -37.7 17.9 10.1 -14.3 180 261 A H S < S- 0 0 0 -4,-2.6 2,-0.6 -22,-0.2 -20,-0.2 -0.771 85.0-115.9-121.7 170.8 16.1 9.4 -11.1 181 262 A H E -d 160 0B 59 -22,-3.1 -20,-2.4 -2,-0.3 2,-0.6 -0.923 23.7-164.3-119.6 111.4 16.4 10.8 -7.6 182 263 A V E -d 161 0B 26 -2,-0.6 2,-0.4 -5,-0.3 -20,-0.2 -0.844 5.9-176.2-100.8 118.8 17.5 8.6 -4.7 183 264 A L E -d 162 0B 38 -22,-3.0 -20,-2.7 -2,-0.6 2,-0.4 -0.961 9.7-166.7-111.8 132.9 16.9 9.8 -1.2 184 265 A Q E +d 163 0B 85 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.970 17.7 144.3-129.3 130.2 18.3 7.6 1.6 185 266 A T E -d 164 0B 16 -22,-1.8 -20,-2.4 -2,-0.4 11,-0.1 -0.939 49.1 -67.6-151.6 173.2 17.7 7.6 5.3 186 267 A A - 0 0 17 -2,-0.3 7,-0.1 -22,-0.2 14,-0.1 -0.207 59.7 -91.0 -62.5 153.1 17.4 5.3 8.4 187 268 A H - 0 0 26 -23,-0.2 8,-0.2 1,-0.1 5,-0.2 -0.438 33.7-125.4 -62.8 136.8 14.5 2.9 8.8 188 269 A P S S+ 0 0 0 0, 0.0 -97,-0.2 0, 0.0 -1,-0.1 0.460 72.6 120.0 -71.4 -1.9 11.6 4.5 10.7 189 270 A S S >> S- 0 0 27 1,-0.1 4,-2.9 -98,-0.1 3,-2.2 -0.369 79.7-115.7 -54.5 140.4 11.5 1.7 13.3 190 271 A P T 34 S+ 0 0 66 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.769 114.9 65.2 -50.2 -29.0 12.1 3.1 16.8 191 272 A L T 34 S+ 0 0 150 1,-0.2 -2,-0.0 2,-0.1 -4,-0.0 0.737 123.5 11.6 -65.4 -23.9 15.3 1.0 16.8 192 273 A S T X4 S+ 0 0 25 -3,-2.2 3,-2.5 -5,-0.2 5,-0.4 0.539 96.8 98.4-130.8 -16.8 16.8 3.1 14.0 193 274 A V G >X>S+ 0 0 9 -4,-2.9 5,-1.4 1,-0.3 4,-1.0 0.802 78.9 62.5 -51.3 -38.7 14.6 6.2 13.5 194 275 A Y G 345S+ 0 0 157 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.535 85.4 79.6 -66.1 -9.4 17.0 8.4 15.5 195 276 A R G <45S- 0 0 174 -3,-2.5 -1,-0.3 -8,-0.2 -9,-0.2 0.095 128.9 -55.2 -90.2 21.6 19.8 7.8 13.0 196 277 A G T <45S+ 0 0 32 -3,-0.9 -2,-0.2 -11,-0.1 -3,-0.1 0.164 111.1 100.9 134.0 -20.8 18.4 10.3 10.5 197 278 A F T ><5S+ 0 0 0 -4,-1.0 3,-2.3 -5,-0.4 2,-0.5 0.950 72.9 73.1 -59.8 -51.0 14.8 9.5 9.6 198 279 A F T 3 + 0 0 117 -4,-0.4 4,-2.2 1,-0.1 5,-0.2 0.768 34.4 153.1 53.2 33.7 12.1 15.7 5.1 202 283 A H H > + 0 0 10 -5,-0.2 4,-2.1 1,-0.2 5,-0.1 0.788 64.0 56.6 -61.8 -31.5 11.7 13.1 2.4 203 284 A F H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 111.9 38.4 -73.3 -45.2 8.0 13.9 1.8 204 285 A S H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.886 116.8 53.0 -70.2 -39.4 8.4 17.6 1.0 205 286 A K H X S+ 0 0 88 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.880 105.5 54.7 -61.7 -40.8 11.7 16.9 -0.9 206 287 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.949 109.9 45.6 -55.9 -53.2 9.8 14.3 -3.0 207 288 A N H X S+ 0 0 19 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.835 108.5 56.8 -63.1 -35.4 7.2 16.8 -4.0 208 289 A E H X S+ 0 0 114 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.929 110.7 44.7 -57.9 -46.7 9.8 19.5 -4.8 209 290 A L H X S+ 0 0 44 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.900 115.1 47.9 -64.5 -43.5 11.4 17.1 -7.2 210 291 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 -2,-0.2 0.910 112.1 47.9 -65.4 -45.9 8.1 16.1 -8.8 211 292 A Q H ><5S+ 0 0 122 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.868 108.6 55.6 -65.8 -36.9 6.9 19.7 -9.2 212 293 A K H 3<5S+ 0 0 189 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.865 106.7 50.2 -59.5 -39.1 10.2 20.7 -10.7 213 294 A S T 3<5S- 0 0 59 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.387 123.1-108.5 -81.3 3.1 9.8 17.9 -13.4 214 295 A G T < 5S+ 0 0 70 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.614 76.2 133.9 79.5 14.7 6.3 19.3 -14.1 215 296 A K < - 0 0 64 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.598 65.3 -96.9 -94.3 155.8 4.5 16.3 -12.4 216 297 A K - 0 0 156 -2,-0.2 -1,-0.1 -3,-0.1 -5,-0.0 -0.549 44.6-122.2 -68.3 131.1 1.6 16.4 -9.9 217 298 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.234 26.5 -99.3 -67.5 163.0 2.9 16.2 -6.3 218 299 A I - 0 0 4 -15,-0.2 2,-1.1 -100,-0.0 -11,-0.1 -0.718 24.8-138.3 -80.6 130.7 1.7 13.5 -3.9 219 300 A D > - 0 0 56 -2,-0.4 3,-1.5 1,-0.2 -102,-0.1 -0.816 18.5-171.1 -87.2 98.5 -1.0 14.6 -1.5 220 301 A W T 3 S+ 0 0 3 -2,-1.1 -1,-0.2 1,-0.3 -106,-0.1 0.679 83.2 59.0 -67.7 -17.6 0.4 13.0 1.7 221 302 A K T 3 S+ 0 0 93 1,-0.1 2,-1.7 -3,-0.1 -1,-0.3 0.651 79.4 99.4 -79.4 -19.5 -2.8 13.9 3.5 222 303 A E < 0 0 101 -3,-1.5 -105,-0.1 -109,-0.1 -1,-0.1 -0.537 360.0 360.0 -78.9 86.6 -4.9 11.9 0.9 223 304 A L 0 0 57 -2,-1.7 -112,-0.1 -110,-0.1 -2,-0.0 -0.874 360.0 360.0-133.5 360.0 -5.4 8.6 2.9