==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-09 3GTI . 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) . 13163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.9 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 1 1 2 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 106 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.3 -29.4 19.0 -37.2 2 94 A L - 0 0 67 227,-0.1 3,-0.0 203,-0.0 0, 0.0 -0.756 360.0-168.0 -88.7 113.6 -28.6 18.7 -33.5 3 95 A V - 0 0 83 -2,-0.7 203,-0.1 1,-0.1 204,-0.1 -0.753 34.3 -90.7-102.4 147.0 -29.6 15.3 -32.1 4 96 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.268 46.1-157.5 -53.5 138.9 -29.6 14.3 -28.4 5 97 A R + 0 0 214 2,-0.1 2,-0.3 -3,-0.0 201,-0.1 -0.967 45.9 28.5-130.6 122.9 -26.3 12.9 -27.4 6 98 A G S S- 0 0 67 -2,-0.4 170,-0.1 171,-0.0 169,-0.1 -0.859 101.9 -8.1 131.9-167.1 -25.6 10.7 -24.4 7 99 A S - 0 0 60 168,-0.5 2,-0.3 -2,-0.3 170,-0.1 -0.236 65.9-177.9 -59.5 151.1 -27.5 8.1 -22.5 8 100 A H - 0 0 98 1,-0.1 170,-0.2 168,-0.1 171,-0.1 -0.983 18.5-174.5-155.8 141.5 -31.2 7.9 -23.4 9 101 A M - 0 0 52 -2,-0.3 2,-0.3 168,-0.2 -1,-0.1 0.642 44.9 -83.4 -99.9-104.2 -34.3 5.9 -22.3 10 102 A T - 0 0 66 9,-0.1 9,-0.1 320,-0.0 321,-0.1 -0.893 51.9 -77.2-169.6 144.7 -37.6 6.2 -24.1 11 103 A A E -A 18 0A 5 320,-1.0 7,-2.2 7,-0.7 2,-0.9 -0.337 50.5-154.1 -51.8 117.1 -40.4 8.7 -23.8 12 104 A Q E -A 17 0A 31 5,-0.2 88,-0.4 318,-0.1 5,-0.3 -0.818 14.9-176.6-100.7 95.2 -42.1 7.5 -20.6 13 105 A T E > -A 16 0A 3 3,-2.4 3,-2.0 -2,-0.9 133,-0.3 -0.368 47.0 -94.4 -81.3 171.9 -45.7 8.6 -20.6 14 106 A V T 3 S+ 0 0 3 84,-3.0 85,-0.1 1,-0.3 74,-0.1 0.507 127.8 44.4 -67.0 -0.2 -47.9 7.8 -17.6 15 107 A T T 3 S- 0 0 69 1,-0.4 -1,-0.3 83,-0.3 2,-0.2 0.279 127.0 -66.1-123.6 7.0 -49.1 4.6 -19.3 16 108 A G E < -A 13 0A 28 -3,-2.0 -3,-2.4 130,-0.1 -1,-0.4 -0.724 68.4 -41.4 134.6 175.2 -45.7 3.4 -20.5 17 109 A A E -A 12 0A 56 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.417 50.3-169.0 -73.0 152.3 -42.8 4.0 -22.9 18 110 A V E -A 11 0A 17 -7,-2.2 -7,-0.7 313,-0.1 2,-0.1 -0.995 25.0-111.4-144.9 138.4 -43.6 5.2 -26.4 19 111 A A > - 0 0 56 -2,-0.3 3,-2.0 -9,-0.1 4,-0.4 -0.401 30.7-116.1 -67.9 147.0 -41.3 5.5 -29.4 20 112 A A G > S+ 0 0 32 311,-0.5 3,-1.7 1,-0.3 4,-0.5 0.864 116.1 60.1 -50.9 -40.5 -40.5 9.1 -30.5 21 113 A A G 3 S+ 0 0 84 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.738 101.3 55.9 -61.7 -22.4 -42.3 8.4 -33.8 22 114 A Q G < S+ 0 0 107 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.447 84.0 83.0 -91.0 -1.2 -45.5 7.7 -31.8 23 115 A L S < S+ 0 0 3 -3,-1.7 47,-0.2 -4,-0.4 -1,-0.2 0.884 70.1 179.0 -70.2 -37.4 -45.6 11.0 -30.0 24 116 A G - 0 0 14 -4,-0.5 45,-0.1 -3,-0.3 -1,-0.1 -0.111 51.6 -6.8 64.1-170.6 -47.3 12.8 -32.9 25 117 A A E S-b 69 0B 20 43,-0.5 46,-1.8 301,-0.1 45,-1.6 -0.345 83.0-164.6 -56.7 135.3 -48.3 16.5 -32.7 26 118 A T E -b 71 0B 7 296,-2.5 243,-0.3 44,-0.2 46,-0.2 -0.954 33.1-144.7-134.9 147.1 -47.6 17.6 -29.1 27 119 A L E -b 72 0B 3 44,-2.0 46,-2.6 -2,-0.3 3,-0.2 -0.943 24.3-160.2-105.5 104.6 -48.4 20.4 -26.6 28 120 A P E S+ 0 0 0 0, 0.0 2,-0.2 0, 0.0 242,-0.1 0.406 72.4 31.7 -68.7 -3.4 -45.1 20.5 -24.6 29 121 A H E S+ 0 0 0 240,-0.2 243,-2.3 45,-0.0 242,-0.6 -0.666 74.1 124.8-162.9 101.1 -46.4 22.3 -21.5 30 122 A E E -b 74 0B 0 43,-2.1 45,-2.5 242,-0.2 2,-0.3 -0.858 44.0-132.4-144.6 175.6 -49.9 22.0 -20.1 31 123 A H E -d 274 0C 2 242,-1.4 244,-2.1 -2,-0.3 245,-0.4 -0.872 8.0-169.5-141.9 104.9 -51.5 21.1 -16.8 32 124 A V E S+ 0 0 0 -2,-0.3 244,-0.6 1,-0.2 2,-0.3 0.924 88.1 2.7 -57.5 -47.1 -54.4 18.6 -16.7 33 125 A I E S+d 276 0C 3 242,-0.2 2,-0.3 241,-0.1 -1,-0.2 -0.986 78.1 174.2-139.3 147.8 -55.0 19.6 -13.1 34 126 A F E -d 277 0C 5 242,-1.3 244,-3.1 -2,-0.3 2,-0.3 -0.981 12.3-179.1-151.0 158.7 -53.2 22.2 -11.0 35 127 A G - 0 0 0 45,-1.4 47,-0.1 -2,-0.3 244,-0.1 -0.881 30.8-119.9-162.5 127.9 -53.3 23.9 -7.7 36 128 A Y > - 0 0 138 242,-0.3 3,-2.4 -2,-0.3 4,-0.2 -0.418 56.0 -79.5 -66.4 143.0 -51.1 26.6 -6.2 37 129 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 43,-0.1 -0.252 123.2 39.3 -50.4 121.5 -49.3 25.4 -3.1 38 130 A G T > S+ 0 0 55 -3,-0.1 3,-1.3 73,-0.0 4,-0.3 0.088 78.5 108.6 122.9 -14.0 -51.8 25.7 -0.2 39 131 A Y G X S+ 0 0 69 -3,-2.4 3,-1.7 1,-0.3 7,-0.2 0.866 76.1 58.9 -60.3 -34.0 -54.7 24.4 -2.2 40 132 A A G > S+ 0 0 64 1,-0.3 3,-1.1 -4,-0.2 -1,-0.3 0.783 97.1 61.5 -65.9 -24.3 -54.5 21.2 -0.2 41 133 A G G < S+ 0 0 73 -3,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.573 98.5 56.9 -77.9 -6.1 -55.0 23.4 2.9 42 134 A D G <> S+ 0 0 49 -3,-1.7 4,-2.7 -4,-0.3 3,-0.3 -0.048 70.7 126.1-110.2 25.8 -58.4 24.4 1.6 43 135 A V T <4 + 0 0 87 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.809 63.1 59.8 -55.1 -39.0 -59.5 20.8 1.4 44 136 A T T 4 S+ 0 0 125 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.935 123.5 19.1 -60.0 -47.5 -62.7 21.3 3.4 45 137 A L T 4 S+ 0 0 114 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.584 132.0 44.2-100.1 -12.1 -64.2 24.0 1.1 46 138 A G S < S+ 0 0 7 -4,-2.7 233,-0.6 -7,-0.2 -1,-0.2 -0.412 80.1 165.8-127.3 54.3 -62.2 23.2 -2.1 47 139 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.332 43.3-101.2 -71.8 153.5 -62.2 19.4 -2.2 48 140 A F - 0 0 84 1,-0.1 2,-1.0 230,-0.1 230,-0.1 -0.620 26.5-155.7 -77.3 124.5 -61.3 17.3 -5.3 49 141 A D > - 0 0 89 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.819 11.8-174.8-101.4 92.4 -64.3 16.1 -7.2 50 142 A H H > S+ 0 0 74 -2,-1.0 4,-3.9 2,-0.2 5,-0.3 0.915 78.8 47.2 -53.7 -53.7 -62.9 13.1 -8.9 51 143 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 116.9 43.5 -54.7 -52.3 -65.9 12.1 -11.0 52 144 A A H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.861 118.0 46.6 -61.8 -39.0 -66.4 15.7 -12.2 53 145 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.925 111.3 49.4 -71.3 -47.9 -62.7 16.2 -12.8 54 146 A L H X S+ 0 0 42 -4,-3.9 4,-1.5 -5,-0.2 -2,-0.2 0.826 114.7 46.2 -62.2 -30.9 -62.2 12.9 -14.6 55 147 A A H X S+ 0 0 58 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.881 114.2 47.0 -78.3 -39.5 -65.2 13.7 -16.9 56 148 A S H X S+ 0 0 44 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.948 114.3 46.3 -67.0 -48.3 -64.1 17.2 -17.6 57 149 A C H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.876 111.2 49.7 -65.0 -41.3 -60.5 16.3 -18.3 58 150 A T H X S+ 0 0 8 -4,-1.5 4,-3.0 -5,-0.3 -1,-0.2 0.868 108.9 55.6 -66.4 -33.6 -61.3 13.4 -20.6 59 151 A E H X S+ 0 0 129 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.988 110.9 42.7 -60.5 -55.7 -63.6 15.7 -22.4 60 152 A T H >X S+ 0 0 27 -4,-2.4 4,-1.3 1,-0.2 3,-0.6 0.929 112.7 54.4 -55.2 -47.5 -60.8 18.2 -23.0 61 153 A A H >X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 3,-0.9 0.929 106.3 50.7 -51.6 -51.4 -58.5 15.3 -23.9 62 154 A R H 3X S+ 0 0 128 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.790 106.2 56.6 -57.8 -30.3 -60.9 14.0 -26.6 63 155 A A H << S+ 0 0 25 -4,-1.5 4,-0.5 -3,-0.6 -1,-0.3 0.800 107.8 47.9 -71.1 -31.0 -61.1 17.5 -28.1 64 156 A L H X<>S+ 0 0 0 -4,-1.3 5,-1.9 -3,-0.9 3,-1.2 0.920 110.5 50.0 -74.0 -47.0 -57.3 17.6 -28.5 65 157 A L H ><5S+ 0 0 53 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.863 104.5 60.0 -58.2 -36.4 -57.2 14.1 -30.1 66 158 A A T 3<5S+ 0 0 81 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.779 104.9 50.3 -63.7 -25.5 -59.9 15.4 -32.4 67 159 A R T < 5S- 0 0 87 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.186 124.5-101.6 -99.3 19.9 -57.4 18.1 -33.5 68 160 A G T < 5S+ 0 0 43 -3,-1.9 2,-0.7 1,-0.3 -43,-0.5 0.349 78.0 137.9 82.0 -9.9 -54.6 15.6 -34.2 69 161 A I E < +b 25 0B 11 -5,-1.9 -1,-0.3 1,-0.2 -2,-0.2 -0.617 21.2 170.6 -73.6 112.9 -52.8 16.4 -30.9 70 162 A Q E + 0 0 96 -45,-1.6 27,-2.3 -2,-0.7 2,-0.4 0.622 57.1 43.5 -97.6 -16.6 -51.7 12.9 -29.7 71 163 A T E -bc 26 97B 2 -46,-1.8 -44,-2.0 25,-0.2 2,-0.4 -0.986 53.3-175.1-140.5 141.5 -49.5 13.9 -26.9 72 164 A V E -bc 27 98B 0 25,-2.4 27,-1.9 -2,-0.4 2,-0.7 -0.986 17.7-144.4-130.5 138.5 -49.4 16.4 -24.0 73 165 A V E - c 0 99B 1 -46,-2.6 -43,-2.1 -2,-0.4 2,-0.7 -0.913 15.2-150.0-103.2 115.2 -46.6 17.0 -21.6 74 166 A D E -b 30 0B 1 25,-3.2 27,-0.4 -2,-0.7 -43,-0.2 -0.772 11.9-172.9 -86.5 120.2 -48.0 17.8 -18.2 75 167 A A + 0 0 0 -45,-2.5 -44,-0.1 -2,-0.7 -1,-0.1 0.105 27.7 145.7-100.6 22.0 -45.6 20.2 -16.5 76 168 A T - 0 0 0 -46,-0.3 25,-0.3 -43,-0.1 27,-0.1 -0.473 46.5-128.0 -68.7 116.7 -47.2 20.2 -13.0 77 169 A P > > - 0 0 0 0, 0.0 3,-1.2 0, 0.0 5,-1.1 -0.152 26.0-104.0 -60.3 153.6 -44.5 20.5 -10.2 78 170 A N T 3 5S+ 0 0 30 25,-3.4 3,-0.4 1,-0.3 26,-0.2 0.788 122.3 42.8 -50.4 -34.3 -44.5 18.0 -7.3 79 171 A G T 3 5S+ 0 0 21 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.667 100.4 72.8 -89.0 -14.3 -46.0 20.5 -4.9 80 172 A C T < 5S- 0 0 0 -3,-1.2 -45,-1.4 -43,-0.1 -1,-0.2 -0.013 124.4 -75.5 -91.9 30.3 -48.6 21.9 -7.4 81 173 A G T 5 + 0 0 4 -3,-0.4 -3,-0.1 1,-0.2 -2,-0.1 0.438 63.9 176.0 96.7 1.0 -51.0 19.0 -7.5 82 174 A R < + 0 0 39 -5,-1.1 -1,-0.2 -47,-0.1 -48,-0.1 -0.126 1.2 175.6 -44.0 124.8 -49.1 16.4 -9.6 83 175 A N > + 0 0 64 1,-0.1 4,-2.4 -50,-0.1 5,-0.2 -0.759 11.2 178.2-138.3 87.9 -51.3 13.3 -9.7 84 176 A P H > S+ 0 0 16 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.927 80.5 55.2 -57.2 -49.1 -49.8 10.6 -11.9 85 177 A A H > S+ 0 0 42 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.897 112.3 43.6 -52.1 -46.2 -52.5 8.0 -11.2 86 178 A F H >> S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.940 111.2 53.8 -63.5 -50.5 -55.2 10.4 -12.2 87 179 A L H 3X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.911 108.3 51.4 -48.8 -45.7 -53.3 11.5 -15.3 88 180 A R H 3X S+ 0 0 76 -4,-3.1 4,-3.0 1,-0.2 -1,-0.3 0.824 105.7 55.7 -62.8 -33.0 -53.1 7.9 -16.2 89 181 A E H > - 0 0 45 48,-0.2 4,-1.8 46,-0.1 3,-1.6 -0.133 57.6 -96.0 -59.3 156.5 -39.7 28.5 -8.5 107 199 A E T 34 S+ 0 0 46 1,-0.3 5,-0.4 46,-0.2 3,-0.1 0.846 120.8 45.8 -42.9 -46.1 -38.9 29.9 -5.1 108 200 A G T 34 S+ 0 0 65 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.596 122.5 28.3 -79.7 -12.7 -41.9 32.2 -5.1 109 201 A G T <4 S+ 0 0 17 -3,-1.6 -1,-0.2 -73,-0.0 -2,-0.2 0.385 106.0 79.3-127.0 1.0 -44.8 30.0 -6.3 110 202 A G S < S- 0 0 14 -4,-1.8 2,-1.9 -5,-0.2 3,-0.2 -0.485 94.5 -92.9-103.2 176.8 -43.8 26.6 -5.3 111 203 A A + 0 0 39 1,-0.2 4,-0.4 -2,-0.2 3,-0.3 -0.570 64.2 155.1 -87.0 72.6 -43.9 24.7 -2.0 112 204 A T > + 0 0 16 -2,-1.9 4,-1.8 -5,-0.4 5,-0.3 0.551 41.8 83.8 -84.9 -8.7 -40.4 25.8 -1.1 113 205 A T H > S+ 0 0 118 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.950 87.1 58.3 -59.7 -48.9 -40.3 25.6 2.7 114 206 A Y H > S+ 0 0 130 -3,-0.3 4,-2.5 1,-0.2 3,-0.3 0.921 117.3 26.0 -43.9 -71.7 -39.4 21.9 2.8 115 207 A F H > S+ 0 0 11 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.777 116.2 62.0 -70.5 -26.8 -36.2 21.8 0.7 116 208 A K H X S+ 0 0 100 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.878 112.5 41.8 -63.7 -32.6 -35.3 25.4 1.6 117 209 A F H >X S+ 0 0 112 -4,-2.2 4,-1.0 -3,-0.3 3,-0.6 0.920 112.5 49.6 -76.5 -51.3 -35.2 24.0 5.1 118 210 A R H 3X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.830 104.5 63.9 -57.6 -31.4 -33.5 20.7 4.4 119 211 A A H 3< S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 99.8 50.3 -60.4 -41.8 -30.9 22.8 2.5 120 212 A S H << S+ 0 0 93 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.781 115.5 44.2 -68.1 -24.9 -29.9 24.5 5.7 121 213 A L H < S- 0 0 124 -4,-1.0 2,-0.2 -3,-0.3 -2,-0.2 0.743 124.7 -40.1 -91.5 -27.7 -29.5 21.1 7.4 122 214 A G S < S- 0 0 47 -4,-2.4 2,-1.7 -5,-0.1 3,-0.2 -0.832 90.9 -24.5-166.8-153.2 -27.7 19.1 4.8 123 215 A D > + 0 0 96 -2,-0.2 4,-1.6 1,-0.2 -4,-0.1 -0.581 53.8 161.3 -85.1 78.5 -27.1 18.2 1.1 124 216 A A H > + 0 0 2 -2,-1.7 4,-3.2 2,-0.2 5,-0.3 0.850 70.0 63.4 -67.3 -36.0 -30.5 19.0 -0.3 125 217 A E H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 106.2 45.0 -54.6 -46.8 -29.1 19.1 -3.9 126 218 A S H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 112.4 51.9 -64.5 -40.5 -28.2 15.4 -3.5 127 219 A E H X S+ 0 0 57 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.898 111.3 46.5 -61.2 -43.3 -31.6 14.7 -2.0 128 220 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.869 109.9 54.7 -66.0 -37.2 -33.4 16.4 -4.9 129 221 A Y H X S+ 0 0 34 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.907 108.0 49.5 -62.9 -41.6 -31.2 14.5 -7.3 130 222 A E H X S+ 0 0 99 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.870 111.4 47.9 -64.4 -42.2 -32.2 11.2 -5.7 131 223 A M H X S+ 0 0 35 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.956 115.0 45.6 -63.8 -51.0 -35.9 12.0 -5.9 132 224 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.954 113.1 49.2 -57.2 -53.3 -35.7 13.1 -9.5 133 225 A R H X S+ 0 0 67 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.863 114.3 46.1 -56.0 -40.6 -33.6 10.1 -10.5 134 226 A T H X>S+ 0 0 48 -4,-2.0 4,-3.0 2,-0.2 5,-2.2 0.942 111.3 50.3 -68.5 -48.7 -36.0 7.7 -8.9 135 227 A E H <5S+ 0 0 24 -4,-2.9 12,-3.0 1,-0.2 -2,-0.2 0.752 116.5 43.2 -62.8 -23.5 -39.1 9.4 -10.3 136 228 A V H <5S+ 0 0 0 -4,-1.8 -1,-0.2 10,-0.3 -2,-0.2 0.662 126.1 28.7 -96.1 -18.9 -37.6 9.2 -13.8 137 229 A T H <5S+ 0 0 46 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.2 0.574 137.0 14.7-116.2 -17.5 -36.2 5.7 -13.7 138 230 A E T <5S- 0 0 119 -4,-3.0 2,-0.2 -5,-0.2 -3,-0.2 0.672 106.3 -95.3-125.0 -49.9 -38.4 3.8 -11.3 139 231 A G < - 0 0 9 -5,-2.2 2,-0.3 4,-0.1 3,-0.3 -0.829 32.0 -73.2 148.3 172.7 -41.6 5.7 -10.6 140 232 A I S > S- 0 0 7 5,-1.8 3,-3.8 -2,-0.2 5,-0.4 -0.792 103.0 -10.8-104.0 139.8 -43.6 8.1 -8.5 141 233 A A T 3 S- 0 0 96 -2,-0.3 -1,-0.2 1,-0.3 -6,-0.0 0.822 120.7 -71.2 42.9 33.6 -45.1 7.3 -5.0 142 234 A G T 3 S+ 0 0 79 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.0 0.631 107.0 125.0 60.8 16.0 -44.2 3.7 -5.9 143 235 A T S < S- 0 0 58 -3,-3.8 -2,-0.1 2,-0.2 -1,-0.1 0.623 78.8-119.4 -80.7 -12.3 -47.0 3.6 -8.5 144 236 A G S S+ 0 0 49 1,-0.3 2,-0.7 -4,-0.3 -3,-0.1 0.356 74.0 130.1 90.1 -7.7 -44.6 2.5 -11.2 145 237 A I - 0 0 4 -5,-0.4 -5,-1.8 -130,-0.0 -1,-0.3 -0.742 46.1-154.3 -84.8 114.8 -45.5 5.7 -13.2 146 238 A R - 0 0 52 -2,-0.7 -46,-0.4 -133,-0.3 2,-0.3 -0.513 16.5-111.8 -90.3 156.1 -42.3 7.3 -14.3 147 239 A A - 0 0 2 -12,-3.0 -46,-0.2 -15,-0.2 -135,-0.1 -0.679 17.1-157.6 -85.4 142.6 -41.8 11.0 -15.0 148 240 A G S S+ 0 0 4 -48,-2.5 2,-0.3 -2,-0.3 -47,-0.2 0.492 73.2 19.2 -97.7 -8.8 -41.1 11.8 -18.7 149 241 A V - 0 0 0 -49,-1.2 -47,-0.5 30,-0.1 2,-0.5 -0.990 69.5-122.8-155.8 159.2 -39.4 15.1 -18.0 150 242 A I E -e 181 0D 0 30,-2.4 32,-2.4 -2,-0.3 2,-0.5 -0.919 27.5-150.8-105.3 132.0 -37.7 17.2 -15.3 151 243 A X E -e 182 0D 0 -49,-2.6 2,-0.3 -2,-0.5 -47,-0.3 -0.913 15.2-178.4-108.9 126.1 -39.3 20.6 -14.7 152 244 A L E -e 183 0D 0 30,-1.9 32,-2.3 -2,-0.5 2,-0.3 -0.893 2.4-172.2-120.9 151.8 -37.2 23.4 -13.5 153 245 A A E -e 184 0D 4 -2,-0.3 2,-0.3 30,-0.3 -46,-0.2 -0.995 1.6-170.5-144.7 146.7 -38.4 27.0 -12.6 154 246 A S - 0 0 0 30,-1.8 -48,-0.2 -2,-0.3 5,-0.2 -0.838 23.9-107.8-131.2 168.9 -36.5 30.2 -11.7 155 247 A S - 0 0 22 3,-1.2 31,-0.4 -2,-0.3 34,-0.0 -0.341 32.9-102.2 -92.4 175.6 -37.6 33.6 -10.4 156 248 A R S S+ 0 0 101 1,-0.2 3,-0.1 29,-0.1 30,-0.1 0.966 114.6 36.2 -61.9 -59.7 -37.7 36.9 -12.2 157 249 A D S S- 0 0 117 1,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.627 129.5 -22.4 -73.6 -17.4 -34.5 38.6 -10.9 158 250 A A - 0 0 45 31,-0.1 -3,-1.2 2,-0.0 2,-1.1 -0.969 65.1 -91.7-179.4 166.2 -32.3 35.5 -10.7 159 251 A I - 0 0 16 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.864 61.0-137.4 -91.4 104.5 -32.1 31.8 -10.5 160 252 A T > - 0 0 24 -2,-1.1 4,-2.8 1,-0.1 5,-0.2 -0.131 16.6-106.4 -65.0 164.3 -31.9 31.7 -6.7 161 253 A P H > S+ 0 0 106 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.762 124.8 50.5 -60.2 -28.7 -29.6 29.5 -4.6 162 254 A Y H >> S+ 0 0 10 2,-0.2 4,-0.9 1,-0.1 3,-0.6 0.912 110.5 47.2 -76.2 -45.7 -32.6 27.4 -3.8 163 255 A E H >> S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.873 107.4 59.4 -63.6 -33.7 -33.7 27.1 -7.4 164 256 A Q H 3X S+ 0 0 63 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.782 91.2 65.8 -66.9 -27.7 -30.1 26.2 -8.3 165 257 A L H S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.6 0.865 113.9 51.0 -62.4 -39.1 -30.0 13.4 -13.8 174 266 A Q H X5S+ 0 0 7 -4,-3.9 4,-1.8 2,-0.2 -1,-0.2 0.952 112.3 47.4 -64.6 -46.0 -30.1 14.7 -17.4 175 267 A R H <5S+ 0 0 121 -4,-3.2 -168,-0.5 -5,-0.2 -2,-0.2 0.925 118.8 42.4 -57.0 -46.6 -26.4 13.8 -17.8 176 268 A E H <5S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.805 130.7 17.4 -73.1 -35.9 -27.1 10.3 -16.3 177 269 A T H <5S- 0 0 14 -4,-3.0 -3,-0.2 -5,-0.2 -168,-0.2 0.731 86.6-126.9-111.8 -28.9 -30.4 9.4 -18.0 178 270 A G << + 0 0 4 -4,-1.8 -4,-0.2 -5,-0.6 -3,-0.1 0.430 52.1 157.2 93.5 -1.2 -30.9 11.6 -21.0 179 271 A V - 0 0 3 -6,-0.4 -1,-0.3 1,-0.1 -30,-0.1 -0.229 44.5-106.6 -57.4 145.8 -34.4 12.6 -19.8 180 272 A P - 0 0 6 0, 0.0 -30,-2.4 0, 0.0 2,-0.4 -0.326 25.5-145.8 -74.8 160.3 -35.7 15.9 -21.2 181 273 A I E -ef 150 208D 0 26,-2.8 28,-2.3 -32,-0.2 2,-0.3 -0.997 14.2-177.7-128.9 127.1 -35.9 19.1 -19.2 182 274 A I E -ef 151 209D 0 -32,-2.4 -30,-1.9 -2,-0.4 2,-0.3 -0.910 16.7-160.9-118.5 149.0 -38.6 21.8 -19.6 183 275 A T E -e 152 0D 0 26,-1.5 2,-0.5 -2,-0.3 -30,-0.3 -0.890 18.5-131.2-133.4 165.4 -38.4 24.9 -17.6 184 276 A H E -e 153 0D 2 -32,-2.3 -30,-1.8 -2,-0.3 2,-0.4 -0.957 19.0-159.5-114.4 127.1 -40.5 27.9 -16.3 185 277 A T - 0 0 1 -2,-0.5 2,-0.6 -32,-0.2 3,-0.3 -0.873 18.6-128.0-105.3 141.4 -39.1 31.4 -16.7 186 278 A Q B > S-I 189 0E 12 3,-0.5 3,-0.5 -31,-0.4 5,-0.1 -0.810 76.2 -24.0 -96.8 123.0 -40.5 34.1 -14.5 187 279 A E T 3 S- 0 0 79 -2,-0.6 -1,-0.2 56,-0.2 3,-0.1 0.856 120.6 -57.3 47.6 46.6 -41.9 37.3 -16.1 188 280 A G T 3 S+ 0 0 5 -3,-0.3 2,-0.3 24,-0.3 -1,-0.2 0.860 108.4 107.0 57.3 46.5 -39.7 36.9 -19.2 189 281 A Q B < +I 186 0E 75 -3,-0.5 -3,-0.5 -35,-0.1 -1,-0.2 -0.971 52.9 37.7-148.5 161.4 -36.3 36.8 -17.7 190 282 A Q S > S+ 0 0 22 -2,-0.3 4,-2.7 -5,-0.1 5,-0.3 0.436 70.0 126.0 78.3 2.1 -33.4 34.4 -16.9 191 283 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.945 77.2 41.6 -56.2 -53.1 -33.9 32.4 -20.2 192 284 A P H > S+ 0 0 7 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.914 114.3 56.0 -61.2 -39.2 -30.3 32.8 -21.3 193 285 A Q H > S+ 0 0 85 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.889 104.8 47.9 -60.8 -45.0 -29.2 32.1 -17.8 194 286 A Q H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.922 114.3 49.9 -63.9 -38.5 -30.9 28.8 -17.4 195 287 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 5,-0.3 0.926 113.4 44.1 -63.3 -46.2 -29.4 27.9 -20.8 196 288 A E H X S+ 0 0 106 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.941 117.8 46.8 -62.8 -47.8 -25.9 29.0 -19.7 197 289 A L H X S+ 0 0 28 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.949 114.1 43.6 -59.8 -56.3 -26.3 27.2 -16.4 198 290 A L H <>S+ 0 0 0 -4,-3.4 5,-3.0 2,-0.2 -1,-0.2 0.921 118.4 44.1 -59.5 -45.9 -27.7 23.9 -17.6 199 291 A T H ><5S+ 0 0 36 -4,-2.1 3,-1.9 -5,-0.3 -1,-0.2 0.924 113.0 51.5 -66.3 -42.2 -25.3 23.6 -20.5 200 292 A S H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.825 107.3 54.5 -62.8 -30.2 -22.4 24.7 -18.2 201 293 A L T 3<5S- 0 0 38 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.451 127.0-105.0 -82.4 1.3 -23.5 22.0 -15.8 202 294 A G T < 5 + 0 0 40 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.634 68.7 148.9 88.7 13.2 -23.3 19.5 -18.6 203 295 A A < - 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