==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-09 3GU1 . COMPND 2 MOLECULE: ORGANOPHOSPHORUS HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR R.HAWWA,S.LARSEN,K.RATIA,A.MESECAR . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 0.6 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.6 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 2 2 1 1 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 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 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 . 2 1 0 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 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 93 A G 0 0 107 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.7 -30.4 16.2 -3.1 2 94 A D - 0 0 60 227,-0.0 3,-0.1 203,-0.0 0, 0.0 -0.814 360.0-169.3 -93.9 104.5 -30.7 15.4 0.7 3 95 A A - 0 0 57 -2,-0.9 203,-0.2 1,-0.1 204,-0.1 -0.642 31.8 -90.5 -98.7 149.2 -33.2 18.0 2.0 4 96 A P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.242 46.9-161.2 -51.5 148.2 -34.0 18.7 5.7 5 97 A G + 0 0 57 2,-0.1 2,-0.3 -3,-0.1 201,-0.1 -0.937 43.4 20.5-145.3 117.8 -36.9 16.5 6.8 6 98 A G S S+ 0 0 67 -2,-0.4 170,-0.1 171,-0.1 169,-0.1 -0.892 102.2 3.7 129.7-158.9 -39.1 17.0 9.8 7 99 A A + 0 0 49 168,-0.6 2,-0.3 -2,-0.3 170,-0.2 -0.196 68.0 177.4 -57.5 153.2 -40.1 19.9 12.0 8 100 A H - 0 0 92 168,-0.1 2,-0.3 170,-0.1 170,-0.2 -0.964 21.7-167.8-161.6 145.7 -38.5 23.2 10.9 9 101 A M - 0 0 49 -2,-0.3 3,-0.1 168,-0.1 168,-0.0 -0.957 42.4 -95.1-130.1 145.7 -38.5 26.9 12.0 10 102 A T - 0 0 72 -2,-0.3 9,-0.1 1,-0.1 321,-0.1 -0.313 61.0 -75.0 -62.5 150.1 -37.1 29.7 9.8 11 103 A A - 0 0 5 320,-0.6 7,-2.6 7,-0.5 2,-0.6 -0.187 49.9-148.8 -46.1 122.8 -33.5 30.7 10.5 12 104 A Q E -A 17 0A 24 5,-0.2 88,-0.3 318,-0.1 5,-0.2 -0.898 18.6-179.8 -99.8 122.8 -33.5 32.7 13.8 13 105 A T E > -A 16 0A 1 3,-2.9 3,-1.9 -2,-0.6 133,-0.4 -0.619 48.2 -93.0-109.9 177.1 -30.7 35.4 13.9 14 106 A V T 3 S+ 0 0 4 84,-3.1 85,-0.1 1,-0.3 3,-0.1 0.649 129.1 45.8 -68.2 -14.3 -30.2 37.7 16.9 15 107 A T T 3 S- 0 0 69 1,-0.4 -1,-0.3 83,-0.3 2,-0.2 0.207 126.1 -87.1-109.0 13.4 -32.4 40.3 15.1 16 108 A G E < -A 13 0A 24 -3,-1.9 -3,-2.9 130,-0.2 -1,-0.4 -0.670 69.6 -15.0 118.8-173.7 -35.1 37.9 14.2 17 109 A A E -A 12 0A 59 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.436 51.1-170.9 -72.1 140.8 -36.1 35.4 11.5 18 110 A V - 0 0 16 -7,-2.6 -7,-0.5 -2,-0.1 2,-0.1 -0.992 25.3-116.7-133.1 138.2 -34.5 35.4 8.1 19 111 A A >> - 0 0 49 -2,-0.4 3,-2.1 -9,-0.1 4,-0.6 -0.459 28.8-115.6 -71.6 146.9 -35.5 33.5 5.1 20 112 A A G >4 S+ 0 0 33 311,-0.5 3,-1.2 1,-0.3 4,-0.5 0.859 117.2 58.9 -50.4 -37.7 -33.0 30.9 3.8 21 113 A A G 34 S+ 0 0 85 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.754 101.5 54.5 -64.2 -25.5 -32.7 32.9 0.6 22 114 A Q G <4 S+ 0 0 106 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.538 85.2 84.0 -88.6 -5.8 -31.6 36.0 2.6 23 115 A L << + 0 0 1 -3,-1.2 47,-0.3 -4,-0.6 -1,-0.2 0.891 66.9 172.2 -64.5 -39.6 -28.7 34.2 4.3 24 116 A G - 0 0 11 -4,-0.5 45,-0.1 -3,-0.3 -1,-0.1 -0.106 53.4 -3.6 60.8-163.1 -26.3 34.8 1.4 25 117 A A E S-b 69 0B 21 43,-0.6 45,-2.0 301,-0.1 46,-1.9 -0.384 81.9-169.7 -63.9 137.7 -22.6 33.9 1.8 26 118 A T E -b 71 0B 7 296,-1.9 243,-0.3 43,-0.2 46,-0.2 -0.975 33.1-143.3-136.7 143.1 -22.0 32.7 5.4 27 119 A L E -b 72 0B 4 44,-2.0 46,-3.0 -2,-0.3 3,-0.2 -0.951 23.6-162.5-103.9 108.2 -19.1 31.9 7.8 28 120 A P E S+ 0 0 1 0, 0.0 2,-0.2 0, 0.0 242,-0.1 0.453 71.4 36.5 -73.4 -5.9 -20.7 28.9 9.7 29 121 A H E S+ 0 0 0 240,-0.2 243,-2.1 45,-0.1 242,-0.4 -0.648 75.3 118.9-155.6 97.0 -18.3 28.9 12.7 30 122 A E E -b 74 0B 0 43,-2.0 45,-2.0 242,-0.2 2,-0.4 -0.899 46.4-130.2-144.5 170.2 -16.9 32.1 14.3 31 123 A H E -d 274 0C 3 242,-2.3 244,-2.5 -2,-0.3 245,-0.3 -0.939 9.2-171.7-132.1 113.0 -16.8 34.0 17.6 32 124 A V E S+ 0 0 0 -2,-0.4 244,-1.4 1,-0.2 2,-0.3 0.973 89.4 3.4 -62.1 -54.3 -17.6 37.7 17.8 33 125 A I E S+d 276 0C 4 242,-0.2 2,-0.3 241,-0.1 -1,-0.2 -0.932 76.5 176.1-127.5 154.4 -16.5 37.6 21.5 34 126 A F E -d 277 0C 5 242,-1.3 244,-3.1 -2,-0.3 2,-0.4 -0.981 10.5-172.9-156.5 146.2 -15.1 34.6 23.4 35 127 A G - 0 0 0 45,-2.0 47,-0.1 -2,-0.3 244,-0.1 -0.987 27.0-124.2-141.6 131.8 -13.8 33.9 26.9 36 128 A Y > - 0 0 111 242,-0.4 3,-2.5 -2,-0.4 4,-0.2 -0.504 53.5 -83.2 -69.7 143.9 -12.1 30.7 28.2 37 129 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.263 121.8 37.7 -49.6 123.8 -14.0 29.4 31.3 38 130 A G T >> S+ 0 0 59 -3,-0.1 3,-1.9 73,-0.0 4,-0.6 0.048 79.3 110.4 119.5 -21.0 -12.6 31.4 34.3 39 131 A Y G X4 S+ 0 0 74 -3,-2.5 3,-1.4 1,-0.3 7,-0.1 0.830 72.0 61.3 -55.0 -33.9 -12.2 34.7 32.5 40 132 A A G >4 S+ 0 0 63 1,-0.3 3,-0.9 -4,-0.2 -1,-0.3 0.757 94.9 61.8 -68.6 -20.3 -15.1 36.2 34.5 41 133 A G G <4 S+ 0 0 76 -3,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.703 99.0 58.0 -74.3 -15.3 -13.0 35.6 37.7 42 134 A D G - 0 0 95 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 -0.817 12.6-170.1 -95.6 97.7 -14.7 47.5 27.5 50 142 A H H > S+ 0 0 72 -2,-1.1 4,-2.9 1,-0.2 5,-0.2 0.915 80.1 47.9 -55.7 -51.6 -18.1 47.6 25.8 51 143 A A H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 115.7 46.3 -58.0 -43.8 -17.4 50.7 23.6 52 144 A A H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 113.9 46.6 -65.3 -43.5 -14.1 49.3 22.5 53 145 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.933 113.5 50.3 -65.4 -44.7 -15.5 45.8 21.7 54 146 A L H X S+ 0 0 39 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.902 111.4 47.5 -60.8 -42.4 -18.4 47.3 19.8 55 147 A A H X S+ 0 0 55 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.954 116.1 44.0 -63.5 -49.8 -16.2 49.5 17.7 56 148 A S H X S+ 0 0 45 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.914 115.6 47.2 -62.8 -45.1 -13.8 46.7 16.9 57 149 A C H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.902 110.9 50.0 -68.9 -37.1 -16.5 44.2 16.2 58 150 A T H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.888 108.5 55.4 -68.9 -31.4 -18.6 46.5 14.0 59 151 A E H X S+ 0 0 137 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.920 110.0 44.3 -64.6 -43.0 -15.4 47.3 12.0 60 152 A T H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.926 111.4 54.6 -67.5 -41.2 -14.9 43.5 11.4 61 153 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.906 108.8 48.3 -57.8 -43.0 -18.6 43.1 10.5 62 154 A R H X S+ 0 0 127 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.877 109.3 52.7 -67.4 -36.0 -18.3 45.9 7.9 63 155 A A H X S+ 0 0 26 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.844 109.8 49.1 -66.0 -36.4 -15.1 44.4 6.4 64 156 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.9 0.932 108.9 52.0 -68.2 -43.0 -17.0 41.0 6.1 65 157 A L H ><5S+ 0 0 57 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.860 103.4 59.5 -61.8 -31.7 -19.9 42.8 4.4 66 158 A A H 3<5S+ 0 0 81 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.826 103.3 51.9 -65.7 -30.3 -17.5 44.3 2.0 67 159 A R T <<5S- 0 0 93 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.371 126.0-103.1 -87.8 8.9 -16.4 40.9 0.9 68 160 A G T < 5S+ 0 0 40 -3,-1.7 -43,-0.6 1,-0.3 2,-0.6 0.562 74.2 143.1 84.4 7.8 -20.1 39.9 0.3 69 161 A I E < +b 25 0B 10 -5,-2.2 -1,-0.3 1,-0.2 -43,-0.2 -0.731 19.9 174.1 -85.0 120.9 -20.5 37.9 3.5 70 162 A Q E + 0 0 90 -45,-2.0 27,-2.6 -2,-0.6 2,-0.4 0.634 58.7 40.0-100.4 -18.1 -24.0 38.5 4.8 71 163 A T E -bc 26 97B 1 -46,-1.9 -44,-2.0 25,-0.2 2,-0.4 -0.982 51.6-171.8-140.9 142.8 -24.2 36.1 7.7 72 164 A V E -bc 27 98B 0 25,-2.5 27,-2.1 -2,-0.4 2,-0.8 -0.995 17.9-144.7-127.4 137.6 -22.0 34.8 10.4 73 165 A V E - c 0 99B 0 -46,-3.0 -43,-2.0 -2,-0.4 2,-0.8 -0.904 16.0-149.4-102.8 111.0 -22.9 31.9 12.7 74 166 A D E -b 30 0B 1 25,-3.2 27,-0.4 -2,-0.8 -43,-0.2 -0.758 14.0-174.3 -83.1 116.1 -21.6 32.6 16.1 75 167 A A + 0 0 0 -45,-2.0 -44,-0.1 -2,-0.8 -1,-0.1 0.119 27.0 144.4 -98.0 19.1 -20.8 29.3 17.8 76 168 A T - 0 0 1 -46,-0.3 25,-0.4 -43,-0.1 27,-0.1 -0.411 47.5-126.6 -67.1 124.0 -19.8 30.5 21.2 77 169 A P > > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 5,-1.0 -0.271 22.1-109.4 -66.9 155.4 -20.9 28.0 24.0 78 170 A N T 3 5S+ 0 0 33 25,-3.6 3,-0.4 1,-0.3 26,-0.2 0.743 119.5 49.8 -54.6 -29.9 -23.0 29.2 26.9 79 171 A D T 3 5S+ 0 0 20 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.282 99.1 68.2 -97.1 12.3 -20.0 28.7 29.2 80 172 A C T < 5S- 0 0 0 -3,-2.1 -45,-2.0 -43,-0.1 -1,-0.2 -0.147 125.8 -74.3-124.8 39.2 -17.5 30.7 27.0 81 173 A G T 5 - 0 0 8 -3,-0.4 -3,-0.1 -47,-0.2 -2,-0.1 0.638 65.4-180.0 82.8 16.7 -18.8 34.2 27.3 82 174 A R < + 0 0 42 -5,-1.0 -1,-0.2 -47,-0.1 -48,-0.1 -0.187 2.5 177.4 -51.1 137.2 -21.8 33.9 25.0 83 175 A N > + 0 0 58 -50,-0.1 4,-2.1 1,-0.1 3,-0.4 -0.621 15.1 177.8-149.2 84.0 -23.7 37.3 24.8 84 176 A P H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.840 83.9 56.8 -55.1 -38.4 -26.7 37.5 22.5 85 177 A A H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.912 108.2 46.5 -61.5 -43.2 -27.5 41.1 23.4 86 178 A F H > S+ 0 0 2 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.926 110.3 53.8 -64.0 -43.7 -24.0 42.2 22.4 87 179 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.909 106.7 52.9 -57.4 -39.8 -24.3 40.2 19.2 88 180 A R H X S+ 0 0 80 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.892 105.5 53.7 -66.0 -36.9 -27.6 42.0 18.5 89 181 A E H X S+ 0 0 68 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.922 110.2 47.4 -60.6 -43.9 -25.9 45.4 18.9 90 182 A V H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 6,-0.4 0.906 114.0 46.7 -64.7 -42.5 -23.3 44.5 16.4 91 183 A S H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 3,-0.3 0.876 113.0 48.3 -68.1 -40.4 -25.9 43.2 13.9 92 184 A E H < S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 111.2 51.7 -71.5 -28.4 -28.2 46.2 14.2 93 185 A A H < S+ 0 0 60 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.694 126.9 19.7 -79.9 -20.2 -25.3 48.6 13.8 94 186 A T H < S- 0 0 26 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.2 0.601 93.1-120.1-122.6 -24.5 -24.0 47.1 10.6 95 187 A G < + 0 0 53 -4,-2.8 2,-0.2 1,-0.4 -4,-0.1 0.360 64.5 139.9 93.8 -9.6 -26.7 45.0 8.9 96 188 A L - 0 0 0 -6,-0.4 2,-0.4 -5,-0.1 -1,-0.4 -0.545 52.8-127.5 -69.3 134.5 -24.6 41.8 9.2 97 189 A Q E -c 71 0B 37 -27,-2.6 -25,-2.5 -2,-0.2 2,-0.4 -0.696 27.7-171.7 -86.8 135.6 -26.8 38.8 10.2 98 190 A I E -c 72 0B 0 -2,-0.4 -84,-3.1 -27,-0.2 2,-0.4 -0.988 12.1-164.8-133.4 126.1 -25.7 36.8 13.1 99 191 A L E -c 73 0B 1 -27,-2.1 -25,-3.2 -2,-0.4 2,-0.3 -0.831 16.5-155.6-100.5 143.5 -27.1 33.5 14.5 100 192 A C - 0 0 0 46,-0.4 48,-2.0 -2,-0.4 49,-1.3 -0.785 9.5-122.5-117.3 168.1 -26.0 32.5 18.0 101 193 A A E -e 149 0D 0 -27,-0.4 2,-0.4 -25,-0.4 49,-0.2 -0.532 5.1-147.8-108.5 168.2 -25.8 29.1 19.7 102 194 A T E +e 150 0D 0 47,-1.0 49,-2.7 -2,-0.2 2,-0.2 -0.994 55.8 75.3-132.7 128.9 -27.2 27.1 22.6 103 195 A G - 0 0 0 -2,-0.4 -25,-3.6 47,-0.2 -24,-0.3 -0.841 67.2 -95.7 154.0 172.3 -24.9 24.5 24.2 104 196 A F - 0 0 25 47,-0.4 49,-0.1 -2,-0.2 3,-0.1 -0.825 38.1-108.3-116.8 156.4 -21.9 23.9 26.5 105 197 A W - 0 0 16 -2,-0.3 48,-0.2 1,-0.2 -1,-0.1 -0.163 49.5 -72.7 -76.7 178.7 -18.3 23.3 25.5 106 198 A Y >> - 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f 0 183D 0 30,-2.3 32,-1.3 -2,-0.5 2,-0.3 -0.872 3.5-174.9-121.0 160.1 -22.2 20.4 20.7 153 245 A A E - f 0 184D 5 -2,-0.3 2,-0.3 30,-0.2 -46,-0.2 -0.985 4.0-165.4-156.5 141.7 -18.5 19.5 21.5 154 246 A S - 0 0 0 30,-1.7 32,-0.5 -2,-0.3 5,-0.2 -0.889 22.5-109.2-130.0 163.0 -16.5 16.4 22.3 155 247 A S - 0 0 20 3,-0.8 31,-0.3 -2,-0.3 3,-0.1 -0.217 35.7-105.7 -80.8 172.7 -13.1 15.4 23.7 156 248 A R S S+ 0 0 99 1,-0.2 3,-0.1 29,-0.1 -1,-0.1 0.927 111.5 37.0 -68.3 -46.5 -10.4 13.8 21.7 157 249 A D S S- 0 0 113 1,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.556 128.7 -14.3 -88.8 -6.1 -10.4 10.2 22.9 158 250 A A - 0 0 47 31,-0.1 2,-1.1 -3,-0.1 -3,-0.8 -0.951 66.9 -98.0-179.4 161.8 -14.1 9.8 23.3 159 251 A I - 0 0 15 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.889 61.1-139.0 -91.5 102.1 -17.5 11.6 23.5 160 252 A T > - 0 0 23 -2,-1.1 4,-3.0 1,-0.1 5,-0.2 -0.111 16.5-105.0 -64.2 163.5 -17.4 11.4 27.3 161 253 A P H > S+ 0 0 107 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.891 124.3 52.1 -55.9 -42.3 -20.5 10.7 29.5 162 254 A Y H >> S+ 0 0 13 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.938 111.7 46.1 -60.2 -46.2 -20.7 14.4 30.4 163 255 A E H >> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 3,-1.0 0.911 104.7 62.2 -63.4 -41.1 -20.6 15.3 26.6 164 256 A Q H 3X S+ 0 0 55 -4,-3.0 4,-2.6 1,-0.3 5,-0.2 0.779 92.4 64.6 -57.0 -29.0 -23.2 12.6 25.8 165 257 A L H S- 0 0 10 -32,-0.5 3,-1.0 -2,-0.4 58,-0.1 -0.758 75.9 -19.6 -90.4 126.0 -11.0 18.0 19.5 187 279 A E T 3 S- 0 0 77 -2,-0.5 -1,-0.2 56,-0.3 3,-0.1 0.823 121.3 -55.4 49.5 44.6 -7.7 17.4 17.8 188 280 A G T 3 S+ 0 0 2 -3,-0.4 2,-0.3 24,-0.3 -1,-0.2 0.782 108.0 114.9 66.2 30.2 -9.1 15.8 14.7 189 281 A Q < + 0 0 77 -3,-1.0 -3,-0.4 -35,-0.1 -1,-0.2 -0.940 53.4 27.7-133.3 158.0 -11.0 12.9 16.4 190 282 A Q > + 0 0 19 -2,-0.3 4,-2.8 -5,-0.1 5,-0.2 0.455 69.0 127.2 78.2 7.3 -14.5 11.7 16.9 191 283 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.958 80.3 40.0 -57.9 -52.9 -16.0 13.1 13.7 192 284 A P H > S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.922 115.6 53.0 -61.5 -41.6 -17.4 9.7 12.6 193 285 A Q H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.865 108.0 50.1 -63.3 -36.4 -18.5 8.9 16.2 194 286 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.896 111.7 48.1 -67.1 -41.1 -20.4 12.2 16.5 195 287 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.927 114.1 46.5 -64.9 -45.3 -22.2 11.6 13.2 196 288 A E H X S+ 0 0 103 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.950 113.5 48.9 -62.7 -49.0 -23.1 8.0 14.2 197 289 A L H X S+ 0 0 29 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.951 114.2 43.9 -58.1 -51.4 -24.3 9.0 17.7 198 290 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.4 0.908 116.4 44.5 -62.9 -46.0 -26.5 11.9 16.5 199 291 A T H ><5S+ 0 0 39 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.879 110.3 56.9 -66.5 -35.0 -28.1 10.1 13.6 200 292 A S H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.749 104.0 54.7 -67.4 -22.6 -28.6 7.0 15.8 201 293 A L T 3<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.349 128.1 -99.2 -91.3 5.6 -30.5 9.3 18.2 202 294 A G T < 5S+ 0 0 29 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.568 72.2 149.0 92.0 9.1 -32.9 10.4 15.4 203 295 A A < - 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