==== 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 14-OCT-04 1WRB . COMPND 2 MOLECULE: DJVLGB; . SOURCE 2 ORGANISM_SCIENTIFIC: DUGESIA JAPONICA; . AUTHOR K.KURIMOTO,Y.MUTO,N.OBAYASHI,T.TERADA,M.SHIROUZU,T.YABUKI,M. . 464 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 32 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 2 0 2 1 0 3 3 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 9 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 1 164 A K 0 0 218 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.6 66.6 51.1 26.0 2 165 A Y + 0 0 216 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.905 360.0 130.2-139.8 108.9 65.6 47.7 27.5 3 166 A D - 0 0 132 -2,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.943 49.0-106.0-149.6 170.4 62.2 46.2 27.2 4 167 A S - 0 0 114 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.830 21.8-143.4-103.9 138.4 60.2 43.1 26.3 5 168 A I - 0 0 142 -2,-0.4 2,-0.7 2,-0.0 -2,-0.0 -0.878 19.1-136.4 -99.2 127.4 58.2 42.8 23.1 6 169 A P - 0 0 118 0, 0.0 2,-0.7 0, 0.0 -2,-0.0 -0.757 18.0-169.2 -89.6 117.9 55.0 40.8 23.6 7 170 A V - 0 0 77 -2,-0.7 -2,-0.0 226,-0.1 2,-0.0 -0.902 19.5-134.3-109.8 108.9 54.3 38.2 20.8 8 171 A S - 0 0 79 -2,-0.7 225,-3.6 224,-0.1 2,-0.3 -0.296 27.8-178.7 -60.3 138.8 50.8 36.8 21.0 9 172 A V E +A 232 0A 54 223,-0.2 2,-0.3 221,-0.0 223,-0.2 -0.999 15.2 170.6-144.7 143.7 50.6 33.0 20.7 10 173 A T E +A 231 0A 77 221,-2.0 221,-2.3 -2,-0.3 -2,-0.0 -0.865 9.3 156.8-154.9 114.3 47.7 30.5 20.6 11 174 A G + 0 0 30 219,-0.3 2,-0.3 -2,-0.3 219,-0.2 -0.227 31.0 116.8-137.8 50.7 48.1 26.8 19.7 12 175 A P + 0 0 92 0, 0.0 217,-0.3 0, 0.0 5,-0.1 -0.782 13.5 114.1-116.1 162.7 45.3 24.7 21.2 13 176 A D S S+ 0 0 82 1,-0.5 215,-0.1 3,-0.4 2,-0.1 -0.033 72.6 13.2 176.4 -56.8 42.5 22.5 19.7 14 177 A Y S S- 0 0 109 212,-0.1 2,-3.1 2,-0.1 -1,-0.5 -0.155 113.2 -24.1-118.6-146.9 42.8 18.8 20.2 15 178 A S S S+ 0 0 112 -2,-0.1 2,-0.3 -3,-0.1 213,-0.0 -0.372 102.4 104.1 -68.2 70.9 44.7 16.2 22.3 16 179 A A + 0 0 29 -2,-3.1 -3,-0.4 2,-0.0 2,-0.1 -0.853 38.0 161.8-159.3 117.0 47.5 18.7 22.9 17 180 A T - 0 0 115 -2,-0.3 2,-1.5 -5,-0.1 -3,-0.0 -0.312 63.3 -30.9-116.5-159.7 48.5 20.7 25.9 18 181 A N S S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.1 32,-0.0 -0.422 73.2 138.8 -63.7 90.0 51.7 22.5 27.0 19 182 A V + 0 0 57 -2,-1.5 -1,-0.2 31,-0.1 0, 0.0 0.024 35.0 142.4-117.4 17.6 54.2 20.2 25.4 20 183 A I - 0 0 56 1,-0.1 2,-0.3 33,-0.1 30,-0.2 0.026 40.3-141.1 -59.0 166.2 56.3 23.2 24.4 21 184 A E - 0 0 30 28,-1.0 3,-0.1 1,-0.1 -1,-0.1 -0.808 17.8-172.9-125.7 167.0 60.1 23.5 24.4 22 185 A N S S+ 0 0 75 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.534 75.1 37.2-130.7 -30.4 62.5 26.3 25.3 23 186 A F S > S- 0 0 78 20,-0.2 3,-1.1 1,-0.1 -1,-0.4 -0.943 71.1-130.4-127.7 149.0 65.9 24.9 24.2 24 187 A D G > S+ 0 0 23 -2,-0.3 3,-1.6 18,-0.3 -1,-0.1 0.790 111.8 64.8 -67.0 -25.1 66.8 22.7 21.3 25 188 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.767 81.7 75.3 -67.1 -26.4 68.6 20.6 23.9 26 189 A L G < S+ 0 0 82 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.654 94.9 72.7 -59.3 -10.7 65.1 19.8 25.3 27 190 A K S < S- 0 0 25 -3,-1.6 2,-0.6 -4,-0.1 -6,-0.0 -0.832 80.3-131.0-113.7 147.8 65.0 17.6 22.2 28 191 A L + 0 0 175 -2,-0.3 -3,-0.1 3,-0.0 -2,-0.1 -0.814 46.3 135.4 -95.8 120.3 66.6 14.3 21.2 29 192 A D - 0 0 35 -2,-0.6 5,-0.1 -4,-0.1 53,-0.0 -0.992 59.5 -61.9-162.3 155.0 68.3 14.3 17.8 30 193 A P - 0 0 39 0, 0.0 4,-0.3 0, 0.0 3,-0.1 -0.071 44.8-130.0 -38.9 127.6 71.4 13.2 15.9 31 194 A T S > S+ 0 0 121 1,-0.2 3,-0.9 2,-0.2 -3,-0.0 0.840 108.6 51.0 -52.0 -37.2 74.4 15.0 17.2 32 195 A I T 3 S+ 0 0 74 1,-0.3 -1,-0.2 3,-0.1 4,-0.1 0.920 93.0 70.5 -69.2 -43.6 75.3 16.1 13.7 33 196 A R T > S+ 0 0 7 1,-0.3 2,-1.7 -3,-0.1 3,-0.8 0.541 73.1 94.1 -52.6 -3.5 71.9 17.4 12.9 34 197 A N T < + 0 0 77 -3,-0.9 -1,-0.3 1,-0.3 4,-0.2 -0.461 40.6 113.8 -88.7 58.8 73.0 20.1 15.3 35 198 A N T 3> + 0 0 14 -2,-1.7 4,-1.4 81,-0.2 -1,-0.3 0.240 56.2 90.8 -98.9 -6.1 74.1 21.9 12.2 36 199 A I T <4>S+ 0 0 7 -3,-0.8 5,-2.5 1,-0.2 -2,-0.1 0.861 81.3 49.3 -58.6 -39.6 71.3 24.0 13.6 37 200 A L T >45S+ 0 0 93 1,-0.2 3,-1.6 3,-0.2 -1,-0.2 0.884 109.4 49.5 -70.2 -39.1 73.8 25.9 15.6 38 201 A L T 345S+ 0 0 136 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.718 103.9 61.3 -70.7 -20.8 76.0 26.6 12.6 39 202 A A T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.354 124.0-112.4 -84.4 5.9 72.9 27.7 10.9 40 203 A S T < 5 + 0 0 101 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.742 68.6 146.3 68.5 28.6 72.8 30.3 13.7 41 204 A Y < + 0 0 42 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.868 14.1 167.6 -94.2 107.9 69.7 28.9 15.4 42 205 A Q - 0 0 140 -2,-0.9 -18,-0.3 1,-0.3 -1,-0.2 0.885 62.2 -1.8 -88.7 -45.8 70.5 29.7 19.0 43 206 A R S S- 0 0 141 -20,-0.1 2,-0.3 -19,-0.1 -1,-0.3 -0.876 87.8 -79.4-140.2 169.7 67.1 29.1 20.7 44 207 A P - 0 0 15 0, 0.0 26,-0.1 0, 0.0 5,-0.0 -0.578 40.5-135.8 -75.9 127.9 63.6 28.1 19.6 45 208 A T >> - 0 0 38 -2,-0.3 4,-2.1 25,-0.1 3,-0.7 -0.417 34.8 -97.9 -75.5 162.6 61.5 30.8 18.1 46 209 A P H 3> S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.883 125.6 49.6 -47.3 -49.9 57.9 30.9 19.3 47 210 A I H 3> S+ 0 0 0 22,-0.5 4,-1.7 1,-0.2 5,-0.2 0.829 113.0 48.2 -62.2 -32.0 56.5 29.0 16.3 48 211 A Q H <> S+ 0 0 3 -3,-0.7 4,-1.6 21,-0.3 -1,-0.2 0.803 106.0 56.5 -79.3 -29.3 59.2 26.4 16.7 49 212 A K H < S+ 0 0 64 -4,-2.1 -28,-1.0 1,-0.2 -2,-0.2 0.804 118.9 32.5 -71.5 -28.9 58.6 25.9 20.5 50 213 A N H X S+ 0 0 40 -4,-1.4 4,-0.5 -5,-0.2 -2,-0.2 0.723 123.9 42.3-100.1 -24.5 55.0 25.1 19.9 51 214 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 5,-0.2 0.790 100.8 63.6 -94.9 -31.9 55.2 23.4 16.5 52 215 A I H X S+ 0 0 3 -4,-1.6 4,-2.9 2,-0.2 5,-0.1 0.913 105.6 46.0 -63.0 -42.6 58.2 21.1 16.7 53 216 A P H > S+ 0 0 9 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.951 114.4 49.2 -64.8 -43.5 56.8 18.9 19.5 54 217 A A H ><>S+ 0 0 7 -4,-0.5 5,-1.6 1,-0.2 3,-1.1 0.935 113.8 45.4 -57.7 -49.2 53.4 18.7 17.6 55 218 A I H ><5S+ 0 0 5 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.928 108.2 57.2 -60.4 -46.1 55.2 17.7 14.4 56 219 A L H 3<5S+ 0 0 83 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.622 100.5 60.6 -61.2 -12.1 57.4 15.2 16.3 57 220 A E T <<5S- 0 0 83 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.182 120.0-107.7-101.3 15.7 54.1 13.6 17.4 58 221 A H T < 5S+ 0 0 150 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.709 70.7 149.7 66.9 24.2 53.0 12.8 13.9 59 222 A R < - 0 0 40 -5,-1.6 -1,-0.2 -4,-0.1 2,-0.1 -0.630 47.1-123.6 -93.7 145.9 50.3 15.5 14.0 60 223 A D - 0 0 12 165,-0.6 168,-1.9 -2,-0.3 2,-0.3 -0.477 33.8-156.7 -78.0 158.1 48.9 17.6 11.2 61 224 A I E -bc 206 228A 0 144,-1.7 146,-3.6 166,-0.2 2,-0.5 -0.997 29.7-166.9-148.1 142.4 49.2 21.4 11.6 62 225 A M E -bc 207 229A 0 166,-2.4 168,-1.7 -2,-0.3 2,-0.5 -0.916 28.4-179.4-123.3 97.1 47.7 24.7 10.5 63 226 A A E -bc 208 230A 0 144,-3.7 146,-2.2 -2,-0.5 2,-0.7 -0.895 18.5-155.5-108.8 123.7 50.1 27.3 11.6 64 227 A C E +bc 209 231A 13 166,-2.6 168,-2.2 -2,-0.5 2,-0.3 -0.862 40.7 129.5 -97.0 116.1 49.6 31.0 11.1 65 228 A A - 0 0 2 144,-1.4 146,-0.1 -2,-0.7 168,-0.1 -0.930 46.8-124.9-166.0 141.0 52.9 32.8 11.1 66 229 A Q > - 0 0 134 166,-0.4 3,-0.6 -2,-0.3 5,-0.3 -0.281 44.5 -74.2 -86.1 174.2 54.6 35.3 8.8 67 230 A T T 3 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.394 115.5 40.4 -63.5 141.0 58.1 35.1 7.2 68 231 A G T 3 S+ 0 0 77 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.742 83.6 100.5 90.7 25.3 60.8 35.7 9.7 69 232 A S S < S- 0 0 20 -3,-0.6 -22,-0.5 -4,-0.1 -21,-0.3 0.332 102.5 -95.0-120.6 0.9 59.4 33.7 12.6 70 233 A G S > S+ 0 0 16 -23,-0.1 4,-2.1 -24,-0.1 -25,-0.1 0.605 76.7 143.1 92.9 14.0 61.5 30.6 12.2 71 234 A K H > + 0 0 11 -5,-0.3 4,-1.4 2,-0.2 5,-0.2 0.912 66.9 52.2 -50.1 -56.0 58.8 28.7 10.1 72 235 A T H >> S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.938 111.6 44.6 -50.2 -57.0 61.3 26.9 7.8 73 236 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 105.6 65.6 -55.7 -38.5 63.4 25.5 10.7 74 237 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 114.2 27.7 -54.3 -40.0 60.2 24.5 12.5 75 238 A F H S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.948 122.4 43.4 -55.6 -48.4 61.8 17.4 12.9 79 242 A I H X S+ 0 0 6 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.932 115.4 44.8 -63.6 -51.9 61.5 15.9 9.3 80 243 A I H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.922 113.8 51.2 -61.1 -43.8 65.2 16.0 8.3 81 244 A N H X S+ 0 0 18 -4,-2.4 4,-1.4 -5,-0.4 -1,-0.2 0.884 110.0 49.9 -61.7 -38.4 66.3 14.6 11.7 82 245 A H H < S+ 0 0 73 -4,-1.9 3,-0.3 -5,-0.3 -2,-0.2 0.947 111.5 47.8 -64.6 -48.7 63.8 11.7 11.3 83 246 A L H >< S+ 0 0 14 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.812 110.7 51.7 -63.2 -31.9 65.0 10.9 7.8 84 247 A V H >< S+ 0 0 14 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.803 98.5 64.9 -76.9 -26.6 68.6 10.9 8.8 85 248 A C T 3< S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.395 102.7 48.6 -76.3 5.3 68.0 8.6 11.7 86 249 A Q T < S- 0 0 105 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.2 0.195 101.2-166.4-120.0 4.7 67.1 5.9 9.2 87 250 A D < 0 0 110 -3,-1.8 -3,-0.1 1,-0.1 -2,-0.1 0.631 360.0 360.0 0.5 127.7 70.3 6.9 7.3 88 251 A L 0 0 166 -5,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.778 360.0 360.0 -82.6 360.0 70.9 5.7 3.8 89 ! 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 90 258 A K 0 0 194 0, 0.0 2,-0.3 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 145.5 65.1 7.0 -13.1 91 259 A T - 0 0 21 72,-0.1 72,-0.2 1,-0.1 2,-0.2 -0.530 360.0-129.2 -77.0 134.5 62.0 8.3 -11.3 92 260 A A B -h 163 0B 2 70,-2.1 72,-2.9 -2,-0.3 52,-0.1 -0.520 14.0-163.0 -82.1 149.7 62.6 10.1 -8.0 93 261 A Y - 0 0 105 50,-0.5 72,-0.1 51,-0.2 70,-0.1 -0.637 11.4-159.8-135.0 77.0 60.6 9.2 -4.9 94 262 A P - 0 0 0 0, 0.0 73,-0.3 0, 0.0 51,-0.2 -0.170 12.1-156.3 -55.2 146.9 60.8 12.0 -2.3 95 263 A K S S+ 0 0 86 50,-2.4 74,-1.9 1,-0.3 75,-1.4 0.643 84.4 31.0 -96.3 -20.5 60.0 10.9 1.3 96 264 A C E -de 146 170A 0 49,-1.6 51,-2.1 72,-0.2 2,-0.4 -0.990 69.3-164.1-139.2 141.6 59.1 14.5 2.1 97 265 A L E -de 147 171A 0 73,-3.1 75,-2.3 -2,-0.3 2,-0.5 -0.993 2.7-168.1-130.7 136.2 57.6 17.3 -0.0 98 266 A I E -de 148 172A 0 49,-2.5 51,-2.4 -2,-0.4 2,-0.5 -0.993 12.0-152.8-122.7 125.3 57.5 21.0 0.6 99 267 A L E +de 149 173A 0 73,-3.7 75,-3.0 -2,-0.5 51,-0.2 -0.875 17.3 179.7-103.0 127.8 55.3 23.2 -1.6 100 268 A A - 0 0 0 49,-2.8 75,-0.1 -2,-0.5 76,-0.0 -0.888 31.3-132.5-124.7 156.4 56.3 26.8 -2.0 101 269 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.870 85.1 26.6 -72.8 -44.0 54.7 29.7 -4.0 102 270 A T S > S- 0 0 35 1,-0.1 4,-2.4 47,-0.1 5,-0.1 -0.817 74.6-117.1-125.1 162.8 57.8 31.0 -5.8 103 271 A R H > S+ 0 0 118 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.851 114.4 60.4 -64.3 -32.9 61.2 29.8 -6.9 104 272 A E H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 108.8 40.0 -59.4 -53.9 62.7 32.3 -4.4 105 273 A L H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.944 114.5 54.6 -61.6 -45.2 61.1 30.7 -1.4 106 274 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.858 109.9 46.7 -55.5 -39.8 61.8 27.2 -2.9 107 275 A I H X S+ 0 0 54 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.915 110.7 51.4 -70.6 -43.6 65.5 28.0 -3.2 108 276 A Q H X S+ 0 0 123 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.898 111.4 48.5 -59.4 -42.1 65.7 29.4 0.3 109 277 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.881 109.1 51.8 -67.1 -38.5 64.1 26.3 1.7 110 278 A L H X S+ 0 0 23 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.914 109.7 52.2 -62.7 -41.1 66.4 24.0 -0.2 111 279 A S H X S+ 0 0 44 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 109.2 46.8 -62.2 -45.5 69.3 26.0 1.2 112 280 A E H X S+ 0 0 25 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.934 111.8 52.3 -62.5 -44.5 68.2 25.6 4.8 113 281 A S H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.907 109.2 49.5 -57.3 -41.6 67.6 22.0 4.3 114 282 A Q H X S+ 0 0 99 -4,-2.3 4,-0.9 2,-0.2 3,-0.4 0.935 109.6 51.6 -63.5 -44.1 71.1 21.7 2.9 115 283 A K H >< S+ 0 0 90 -4,-2.5 3,-0.7 1,-0.3 -2,-0.2 0.902 112.9 44.9 -57.2 -44.2 72.5 23.5 5.9 116 284 A F H 3< S+ 0 0 2 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.724 113.2 53.2 -72.4 -21.6 70.6 21.1 8.2 117 285 A S H >< S+ 0 0 9 -4,-1.4 3,-1.0 -3,-0.4 5,-0.3 0.487 75.0 142.4 -92.4 -7.2 71.9 18.2 6.1 118 286 A L T << S+ 0 0 89 -4,-0.9 -3,-0.1 -3,-0.7 4,-0.0 -0.033 77.8 3.1 -40.2 129.7 75.6 19.0 6.2 119 287 A N T 3 S+ 0 0 140 1,-0.2 -1,-0.3 3,-0.1 -87,-0.1 0.885 110.6 113.5 57.0 42.6 77.7 15.9 6.4 120 288 A T S < S- 0 0 25 -3,-1.0 -1,-0.2 2,-0.2 -3,-0.1 -0.918 78.5-117.6-137.3 159.1 74.6 13.7 6.2 121 289 A P S S+ 0 0 49 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 0.476 72.4 126.6 -77.1 -2.9 73.4 11.2 3.5 122 290 A L - 0 0 14 -5,-0.3 2,-0.6 22,-0.1 -2,-0.2 -0.335 47.2-155.9 -63.2 132.7 70.3 13.4 2.9 123 291 A R - 0 0 111 20,-0.1 22,-2.0 -2,-0.1 23,-1.8 -0.937 9.7-169.3-112.3 115.1 69.6 14.4 -0.7 124 292 A S E -f 146 0A 10 -2,-0.6 2,-0.3 20,-0.2 23,-0.2 -0.853 5.3-175.7-105.7 141.2 67.5 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0.211 85.6 121.5-125.1 11.6 56.4 7.2 -0.8 168 336 A C < + 0 0 0 -3,-1.3 -72,-0.2 1,-0.2 -73,-0.2 -0.685 23.1 160.2 -82.8 109.6 55.9 10.8 0.3 169 337 A K + 0 0 74 -74,-1.9 35,-2.5 -2,-0.8 2,-0.5 0.517 59.6 58.8-106.7 -8.9 54.7 10.7 3.9 170 338 A Y E +eg 96 204A 38 -75,-1.4 -73,-3.1 33,-0.2 2,-0.4 -0.956 61.7 172.3-128.2 115.5 55.6 14.2 4.9 171 339 A I E -eg 97 205A 0 33,-2.4 35,-2.4 -2,-0.5 2,-0.4 -0.974 8.9-174.1-128.9 139.4 54.1 17.2 3.2 172 340 A V E -eg 98 206A 0 -75,-2.3 -73,-3.7 -2,-0.4 2,-0.7 -0.992 13.3-156.2-130.1 133.1 54.3 20.9 4.0 173 341 A L E > -eg 99 207A 0 33,-2.4 35,-2.3 -2,-0.4 3,-0.6 -0.912 19.6-161.2-109.8 102.7 52.5 23.8 2.2 174 342 A D E 3 S+ g 0 208A 0 -75,-3.0 35,-0.1 -2,-0.7 5,-0.1 -0.711 73.0 3.4 -89.0 135.4 54.6 26.9 2.9 175 343 A E T 3> S+ 0 0 35 33,-0.6 4,-1.6 -2,-0.4 3,-0.5 0.950 78.0 178.0 56.9 51.1 52.9 30.3 2.4 176 344 A A H <> S+ 0 0 0 32,-2.5 4,-2.0 -3,-0.6 5,-0.2 0.882 74.1 55.4 -51.0 -45.9 49.6 28.5 1.6 177 345 A D H > S+ 0 0 20 1,-0.2 4,-2.4 34,-0.2 -1,-0.2 0.898 105.4 53.0 -57.0 -41.0 47.7 31.7 1.2 178 346 A R H > S+ 0 0 109 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.879 107.3 52.2 -63.2 -37.7 50.2 32.9 -1.4 179 347 A M H <>S+ 0 0 0 -4,-1.6 5,-2.6 2,-0.2 6,-0.3 0.891 110.0 46.5 -68.0 -39.8 49.7 29.7 -3.4 180 348 A L H ><5S+ 0 0 12 -4,-2.0 3,-2.0 3,-0.2 5,-0.3 0.940 110.7 53.2 -67.6 -44.4 46.0 30.0 -3.6 181 349 A D H 3<5S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.880 107.3 51.9 -55.3 -40.5 46.2 33.6 -4.5 182 350 A M T 3<5S- 0 0 85 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.501 124.5-106.9 -75.4 -4.4 48.5 32.7 -7.4 183 351 A G T < 5S+ 0 0 43 -3,-2.0 4,-0.2 -4,-0.2 -3,-0.2 0.814 77.6 133.1 83.9 33.5 45.9 30.1 -8.5 184 352 A F >< + 0 0 38 -5,-2.6 4,-2.8 1,-0.2 5,-0.3 0.421 35.8 101.5 -94.8 -1.2 47.7 26.9 -7.4 185 353 A E H > S+ 0 0 63 -5,-0.3 4,-2.8 -6,-0.3 5,-0.3 0.872 80.3 54.9 -52.9 -39.1 44.7 25.2 -5.7 186 354 A P H > S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.956 112.2 43.4 -59.2 -47.4 44.1 23.0 -8.7 187 355 A Q H > S+ 0 0 53 -4,-0.2 4,-3.5 2,-0.2 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14.1 162.4-101.5 111.5 82.6 98.4 29.8 273 205 B Q + 0 0 150 -2,-0.7 -18,-0.4 1,-0.3 -1,-0.2 0.905 61.8 12.2 -93.2 -60.7 85.6 97.1 31.7 274 206 B R S S- 0 0 170 -20,-0.1 -1,-0.3 -19,-0.1 -20,-0.1 -0.893 87.8 -90.8-122.9 152.3 84.2 95.3 34.7 275 207 B P - 0 0 3 0, 0.0 26,-0.1 0, 0.0 -1,-0.0 -0.357 39.4-135.7 -61.1 129.8 80.7 94.1 35.7 276 208 B T >> - 0 0 27 25,-0.1 4,-3.1 -2,-0.1 3,-0.7 -0.402 34.0 -93.4 -80.1 163.6 78.7 96.7 37.7 277 209 B P H 3> S+ 0 0 41 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.865 127.5 46.6 -46.8 -46.0 76.8 95.5 40.8 278 210 B I H 3> S+ 0 0 0 22,-0.5 4,-2.9 1,-0.2 5,-0.4 0.846 115.3 48.5 -67.4 -30.5 73.5 95.0 38.9 279 211 B Q H <> S+ 0 0 2 -3,-0.7 4,-1.3 21,-0.3 -1,-0.2 0.877 108.3 52.7 -74.5 -38.4 75.4 93.1 36.2 280 212 B K H < S+ 0 0 59 -4,-3.1 -28,-1.6 1,-0.2 -2,-0.2 0.850 124.7 27.2 -65.1 -32.7 77.3 91.0 38.7 281 213 B N H X S+ 0 0 38 -4,-1.7 4,-0.7 -5,-0.3 -2,-0.2 0.778 124.6 44.2 -99.8 -34.1 74.0 89.9 40.3 282 214 B A H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.3 -3,-0.2 0.825 102.4 59.6 -86.1 -34.0 71.4 90.2 37.5 283 215 B I H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.4 5,-0.2 0.918 103.5 50.5 -65.8 -40.2 73.1 88.7 34.4 284 216 B P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.964 110.9 50.4 -59.9 -48.3 73.7 85.2 35.9 285 217 B A H <>S+ 0 0 7 -4,-0.7 5,-2.6 1,-0.2 -2,-0.2 0.854 110.9 49.6 -56.2 -37.1 70.0 85.1 37.0 286 218 B I H ><5S+ 0 0 5 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.933 110.3 48.6 -70.1 -44.2 69.0 86.0 33.4 287 219 B L H 3<5S+ 0 0 70 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.861 104.4 61.1 -62.5 -32.7 71.3 83.4 31.9 288 220 B E T 3<5S- 0 0 76 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.199 119.7-116.3 -78.6 17.8 69.7 81.0 34.3 289 221 B H T < 5 + 0 0 134 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.674 64.0 152.4 55.9 23.8 66.4 81.8 32.6 290 222 B R < - 0 0 18 -5,-2.6 -1,-0.2 -6,-0.2 170,-0.1 -0.596 47.9-120.3 -89.4 143.8 65.0 83.4 35.7 291 223 B D - 0 0 19 167,-0.5 170,-1.6 -2,-0.3 2,-0.4 -0.431 38.0-157.1 -69.9 154.1 62.4 86.2 35.9 292 224 B I E -jk 439 461C 1 146,-1.7 148,-2.8 168,-0.2 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4,-2.2 47,-0.1 5,-0.1 -0.852 75.1-121.7-126.6 161.3 59.8 107.8 26.9 336 271 B R H > S+ 0 0 141 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.853 111.4 58.9 -66.5 -32.0 61.2 108.3 23.4 337 272 B E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.979 108.6 40.9 -61.9 -57.3 64.6 109.3 25.0 338 273 B L H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.942 114.4 54.7 -56.2 -45.8 65.1 106.1 26.9 339 274 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.889 109.3 46.9 -54.0 -43.2 63.9 104.1 24.0 340 275 B I H X S+ 0 0 70 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.886 113.0 49.2 -68.2 -38.3 66.4 105.8 21.7 341 276 B Q H X S+ 0 0 124 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.925 110.9 48.5 -66.5 -46.0 69.2 105.2 24.1 342 277 B I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.933 111.8 51.3 -59.2 -44.1 68.4 101.6 24.7 343 278 B L H X S+ 0 0 20 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.952 109.0 50.3 -56.6 -51.5 68.2 101.2 20.9 344 279 B S H X S+ 0 0 50 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.841 110.0 50.4 -56.2 -38.5 71.7 102.8 20.5 345 280 B E H X S+ 0 0 23 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