==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-07 3BM8 . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE YOPH; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR Z.Y.ZHANG,S.J.LIU . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 1 0 0 0 0 0 3 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 0 1 0 0 1 0 1 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 0 1 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 1 187 A S > 0 0 106 0, 0.0 3,-1.0 0, 0.0 6,-0.4 0.000 360.0 360.0 360.0 120.2 28.5 16.8 50.7 2 188 A P T 3 + 0 0 82 0, 0.0 278,-0.2 0, 0.0 277,-0.2 0.850 360.0 24.3 -59.5 -36.8 27.3 16.7 47.1 3 189 A Y T 3 S+ 0 0 39 4,-0.1 270,-0.0 276,-0.1 266,-0.0 0.073 96.0 132.0-117.1 20.9 30.3 18.7 46.0 4 190 A G S <> S- 0 0 3 -3,-1.0 4,-2.5 1,-0.1 3,-0.4 -0.340 74.7-105.9 -70.7 154.9 32.5 17.7 49.0 5 191 A P H > S+ 0 0 104 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.829 123.9 55.9 -52.1 -30.5 36.0 16.5 48.2 6 192 A E H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.950 109.2 47.5 -64.9 -46.0 34.9 13.0 49.0 7 193 A A H >> S+ 0 0 12 -3,-0.4 4,-2.1 -6,-0.4 3,-0.6 0.971 113.2 45.9 -55.7 -58.8 32.2 13.4 46.4 8 194 A R H 3X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.3 5,-0.3 0.871 111.2 55.4 -53.6 -38.6 34.6 14.8 43.8 9 195 A A H 3X S+ 0 0 56 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.3 0.848 105.6 50.0 -65.6 -35.9 37.0 12.1 44.6 10 196 A E H < S+ 0 0 100 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.925 110.8 47.2 -67.3 -50.0 41.5 3.2 31.8 21 207 A T H 3< S+ 0 0 79 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.740 112.9 52.1 -65.8 -21.3 39.1 0.5 30.6 22 208 A L T 3< S+ 0 0 9 -4,-1.8 234,-0.4 -5,-0.3 -1,-0.2 0.529 77.3 125.8 -91.8 -7.3 38.4 2.6 27.5 23 209 A A S < S- 0 0 50 -3,-1.1 2,-0.1 -4,-0.4 23,-0.1 -0.296 70.9-108.6 -53.6 127.8 42.1 3.0 26.6 24 210 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.388 32.6-155.8 -65.7 132.0 42.5 1.8 23.0 25 211 A A > - 0 0 57 -2,-0.1 3,-2.3 1,-0.1 6,-0.2 -0.776 42.4 -68.4-106.5 153.0 44.3 -1.5 22.5 26 212 A T T 3 S- 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.124 123.6 -3.6 -43.3 115.1 46.1 -2.6 19.4 27 213 A N T 3 S- 0 0 112 1,-0.2 -1,-0.3 5,-0.1 6,-0.1 0.848 92.3-166.2 66.3 34.8 43.5 -3.1 16.7 28 214 A D X - 0 0 9 -3,-2.3 3,-2.0 1,-0.2 -1,-0.2 -0.353 19.0-145.7 -58.9 118.4 40.8 -2.4 19.3 29 215 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.764 97.2 63.7 -56.2 -27.8 37.3 -3.4 17.9 30 216 A R T 3 S+ 0 0 70 20,-0.1 20,-2.4 19,-0.1 21,-0.6 0.669 101.4 60.7 -72.9 -17.5 35.8 -0.5 19.8 31 217 A Y B < S-A 49 0A 0 -3,-2.0 2,-0.3 18,-0.3 18,-0.2 -0.810 87.7-105.5-118.2 156.4 37.7 2.0 17.7 32 218 A L - 0 0 21 16,-2.6 16,-0.4 -2,-0.3 2,-0.2 -0.570 40.2-141.1 -75.6 131.7 38.0 3.0 14.1 33 219 A Q - 0 0 73 -2,-0.3 2,-0.4 -6,-0.1 -1,-0.1 -0.578 17.4-103.4 -97.5 157.6 41.3 1.8 12.5 34 220 A A - 0 0 48 -2,-0.2 2,-0.7 1,-0.1 3,-0.3 -0.638 41.5-119.4 -77.3 126.9 43.6 3.5 10.0 35 221 A C - 0 0 105 -2,-0.4 3,-0.4 1,-0.2 -1,-0.1 -0.586 64.8 -53.9 -74.3 113.0 43.1 2.0 6.5 36 222 A G S S- 0 0 88 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.675 119.9 -16.7 20.3 63.5 46.3 0.3 5.3 37 223 A G S S+ 0 0 65 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.794 95.1 99.8 133.3 -97.3 48.7 3.2 5.7 38 224 A E S S- 0 0 126 -2,-0.4 -1,-0.2 -3,-0.4 -3,-0.2 0.006 75.7-108.5 -41.1 124.0 47.5 6.8 6.1 39 225 A K + 0 0 139 1,-0.1 -1,-0.1 -5,-0.1 38,-0.1 -0.297 37.1 178.8 -55.0 128.6 47.6 8.1 9.6 40 226 A L + 0 0 11 1,-0.1 2,-0.4 -3,-0.1 19,-0.3 0.802 60.8 58.6-103.8 -41.3 44.0 8.5 10.9 41 227 A N - 0 0 19 1,-0.2 3,-0.2 17,-0.1 -1,-0.1 -0.790 68.7-145.9 -95.0 132.6 44.4 9.8 14.5 42 228 A R S S+ 0 0 26 -2,-0.4 2,-0.5 1,-0.3 -1,-0.2 0.916 100.6 30.6 -60.6 -39.0 46.3 13.0 15.0 43 229 A F S > S- 0 0 58 3,-0.4 3,-1.7 176,-0.1 2,-1.0 -0.986 82.4-142.8-121.0 122.7 47.5 11.4 18.2 44 230 A R T 3 S+ 0 0 217 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 -0.079 100.2 48.8 -79.2 38.6 47.8 7.6 18.2 45 231 A D T 3 S+ 0 0 96 -2,-1.0 2,-0.6 1,-0.0 -1,-0.3 0.223 99.4 69.3-147.8 -5.7 46.5 7.2 21.8 46 232 A I S < S+ 0 0 14 -3,-1.7 -3,-0.4 -23,-0.1 -4,-0.2 -0.808 76.2 169.9-120.9 82.5 43.5 9.4 21.3 47 233 A Q - 0 0 25 -2,-0.6 2,-0.4 -3,-0.1 -14,-0.1 -0.198 31.2-102.1 -93.5-177.9 41.3 7.3 19.0 48 234 A C - 0 0 0 -16,-0.4 -16,-2.6 -2,-0.1 2,-0.3 -0.893 27.2-116.6-114.6 133.8 37.8 7.3 17.7 49 235 A R B > -A 31 0A 20 205,-0.7 4,-1.0 -2,-0.4 -18,-0.3 -0.463 21.0-155.4 -62.6 121.6 34.8 5.3 18.8 50 236 A R T 4 S+ 0 0 131 -20,-2.4 3,-0.3 -2,-0.3 -1,-0.2 0.889 88.8 62.3 -68.1 -37.3 33.9 3.2 15.7 51 237 A Q T 4 S+ 0 0 135 -21,-0.6 -1,-0.2 1,-0.2 202,-0.1 0.893 117.8 27.2 -52.4 -45.6 30.3 2.8 16.9 52 238 A T T 4 S+ 0 0 20 201,-0.2 10,-1.6 -3,-0.1 -1,-0.2 0.438 86.9 140.6 -99.5 -4.6 29.6 6.5 16.7 53 239 A A B < -B 61 0B 23 -4,-1.0 8,-0.3 -3,-0.3 3,-0.1 -0.089 39.4-157.2 -44.2 131.6 32.2 7.4 14.0 54 240 A V S S+ 0 0 24 6,-2.2 2,-0.4 1,-0.3 -1,-0.1 0.885 77.3 16.1 -80.7 -42.3 30.9 10.0 11.6 55 241 A R S > S- 0 0 48 5,-0.5 3,-1.9 3,-0.3 -1,-0.3 -0.995 71.1-127.9-138.9 133.2 33.2 9.2 8.7 56 242 A A T 3 S+ 0 0 81 -2,-0.4 -21,-0.2 1,-0.3 -1,-0.1 0.621 111.2 42.8 -49.9 -15.7 35.3 6.1 8.1 57 243 A D T 3 S+ 0 0 61 -23,-0.1 2,-0.3 23,-0.1 -1,-0.3 -0.146 101.1 75.7-129.0 42.4 38.3 8.4 7.6 58 244 A L S < S- 0 0 5 -3,-1.9 2,-1.6 2,-0.1 -3,-0.3 -0.992 74.2-126.4-149.1 141.6 38.0 11.1 10.3 59 245 A N S S+ 0 0 1 -2,-0.3 15,-2.4 -19,-0.3 2,-0.3 -0.725 73.9 114.6 -87.1 90.0 38.7 11.1 14.0 60 246 A A E - C 0 73B 1 -2,-1.6 -6,-2.2 13,-0.2 -5,-0.5 -0.937 43.7-165.9-161.5 136.2 35.2 12.4 14.7 61 247 A N E -BC 53 72B 0 11,-2.7 11,-1.5 -2,-0.3 2,-0.7 -0.889 27.8-115.9-131.0 159.9 32.2 11.0 16.6 62 248 A Y E - C 0 71B 67 -10,-1.6 2,-0.4 -2,-0.3 9,-0.2 -0.828 40.8-171.7 -90.0 116.7 28.5 11.5 17.1 63 249 A I E - C 0 70B 2 7,-1.6 7,-2.6 -2,-0.7 2,-0.4 -0.868 13.7-173.6-112.7 146.2 28.1 12.3 20.8 64 250 A Q E - C 0 69B 60 -2,-0.4 2,-0.9 5,-0.3 5,-0.3 -0.868 3.4-174.3-141.7 104.4 24.8 12.7 22.7 65 251 A V E > S- C 0 68B 1 3,-2.5 3,-2.0 -2,-0.4 2,-0.8 -0.865 72.8 -48.7-100.3 101.9 24.9 13.8 26.3 66 252 A G T 3 S- 0 0 23 -2,-0.9 172,-0.1 1,-0.3 166,-0.0 -0.620 124.2 -22.8 76.7-111.5 21.4 13.5 27.5 67 253 A N T 3 S+ 0 0 62 -2,-0.8 2,-0.6 165,-0.1 -1,-0.3 0.441 117.9 101.3-109.3 -8.4 19.3 15.1 24.8 68 254 A T E < -C 65 0B 15 -3,-2.0 -3,-2.5 167,-0.1 2,-0.4 -0.708 52.4-174.7 -85.5 121.7 22.2 17.2 23.5 69 255 A R E +C 64 0B 74 -2,-0.6 -5,-0.3 -5,-0.3 2,-0.2 -0.966 16.8 139.5-119.5 130.4 23.7 15.8 20.4 70 256 A T E -C 63 0B 4 -7,-2.6 -7,-1.6 -2,-0.4 2,-0.4 -0.645 44.9-103.9-144.5-156.9 26.8 17.2 18.8 71 257 A I E -Cd 62 214B 0 142,-1.3 144,-2.9 -9,-0.2 2,-0.4 -0.966 23.5-169.0-146.4 123.6 30.0 16.1 17.1 72 258 A A E +Cd 61 215B 1 -11,-1.5 -11,-2.7 -2,-0.4 2,-0.3 -0.931 19.1 160.0-114.2 139.1 33.4 16.2 18.6 73 259 A C E -C 60 0B 2 142,-1.8 144,-0.4 -2,-0.4 -13,-0.2 -0.949 37.8-103.3-150.9 168.3 36.5 15.6 16.4 74 260 A Q - 0 0 5 -15,-2.4 145,-0.3 -2,-0.3 144,-0.1 -0.241 57.9 -76.5 -83.5-179.3 40.2 16.2 16.3 75 261 A Y - 0 0 0 143,-3.2 -1,-0.1 1,-0.1 143,-0.1 -0.741 62.2-106.2 -83.1 120.0 41.8 18.9 14.3 76 262 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 39,-0.1 -0.063 29.4-129.1 -46.9 138.0 41.7 17.7 10.7 77 263 A L > - 0 0 21 -37,-0.1 4,-1.8 35,-0.1 7,-0.1 -0.444 34.2 -96.0 -84.6 164.8 45.0 16.5 9.1 78 264 A Q T 4 S+ 0 0 141 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.917 129.2 43.0 -43.7 -51.8 46.1 17.9 5.7 79 265 A S T >> S+ 0 0 70 1,-0.2 3,-0.7 2,-0.1 4,-0.5 0.895 108.0 57.1 -63.0 -45.4 44.6 14.8 4.2 80 266 A Q H 3> S+ 0 0 8 1,-0.2 4,-2.8 2,-0.1 -1,-0.2 0.763 82.6 92.5 -61.2 -26.1 41.4 14.8 6.2 81 267 A L H 3X S+ 0 0 9 -4,-1.8 4,-3.4 -3,-0.4 5,-0.3 0.818 85.1 45.8 -34.5 -59.5 40.6 18.3 5.0 82 268 A E H <> S+ 0 0 85 -3,-0.7 4,-2.8 -4,-0.3 -1,-0.2 0.951 118.6 41.1 -55.4 -53.7 38.4 17.3 2.0 83 269 A S H X S+ 0 0 17 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.785 114.1 56.4 -65.4 -26.0 36.5 14.7 4.0 84 270 A H H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.973 109.7 42.9 -67.2 -55.0 36.4 17.2 6.8 85 271 A F H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.898 111.3 57.0 -56.8 -42.5 34.8 19.8 4.7 86 272 A R H X S+ 0 0 78 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.932 109.1 46.0 -56.4 -46.8 32.5 17.1 3.2 87 273 A M H X S+ 0 0 3 -4,-2.2 4,-3.5 1,-0.2 5,-0.4 0.992 109.5 50.7 -59.1 -65.7 31.2 16.2 6.7 88 274 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 -1,-0.2 0.816 114.2 49.4 -41.6 -36.5 30.6 19.8 7.9 89 275 A A H ><5S+ 0 0 14 -4,-2.0 3,-2.8 -5,-0.2 -1,-0.2 0.993 112.7 42.4 -68.1 -63.6 28.7 20.3 4.8 90 276 A E H 3<5S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.3 121,-0.2 0.888 109.1 59.6 -51.7 -44.0 26.5 17.2 4.9 91 277 A N T 3<5S- 0 0 8 -4,-3.5 120,-3.1 -5,-0.2 121,-0.4 0.633 104.7-133.2 -61.9 -9.8 25.9 17.8 8.6 92 278 A R T < 5 - 0 0 62 -3,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.903 31.6-137.7 57.1 35.0 24.5 21.1 7.5 93 279 A T < - 0 0 0 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 0.041 23.8-165.4 -33.1 112.9 26.7 22.3 10.4 94 280 A P S S- 0 0 2 0, 0.0 99,-0.3 0, 0.0 2,-0.3 0.778 74.8 -4.3 -73.9 -32.7 24.8 24.9 12.4 95 281 A V - 0 0 0 117,-0.2 119,-2.3 65,-0.1 2,-0.6 -0.961 59.6-146.4-162.0 146.7 28.0 26.0 14.2 96 282 A L E -ef 162 214B 0 65,-1.6 67,-2.8 -2,-0.3 2,-0.7 -0.933 13.8-162.2-122.9 106.9 31.6 25.1 14.2 97 283 A A E -ef 163 215B 0 117,-3.2 119,-1.4 -2,-0.6 2,-0.6 -0.809 7.6-175.9 -92.8 117.1 33.4 25.5 17.6 98 284 A V E +ef 164 216B 0 65,-2.4 67,-2.4 -2,-0.7 119,-0.2 -0.940 9.3 173.0-115.6 108.2 37.1 25.6 17.2 99 285 A L + 0 0 0 117,-2.1 118,-0.2 -2,-0.6 2,-0.2 0.348 40.8 113.5 -98.4 4.9 38.9 25.8 20.6 100 286 A A S S- 0 0 0 116,-0.6 65,-0.1 117,-0.4 2,-0.1 -0.509 71.1-107.8 -76.5 146.4 42.4 25.3 19.4 101 287 A S > - 0 0 10 67,-0.2 4,-2.1 -2,-0.2 66,-0.2 -0.433 10.2-125.7 -80.1 150.6 44.8 28.3 19.8 102 288 A S H > S+ 0 0 37 64,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.674 115.8 58.0 -62.7 -18.5 46.1 30.5 17.0 103 289 A S H > S+ 0 0 88 63,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.926 105.8 47.5 -74.9 -47.2 49.5 29.7 18.4 104 290 A E H 4 S+ 0 0 13 1,-0.2 8,-0.3 2,-0.2 6,-0.2 0.831 114.5 47.1 -61.1 -37.1 48.8 26.0 17.9 105 291 A I H < S+ 0 0 6 -4,-2.1 7,-0.4 1,-0.2 -1,-0.2 0.956 108.2 52.2 -71.3 -51.1 47.7 26.6 14.4 106 292 A A H < S+ 0 0 76 -4,-1.9 2,-1.4 -5,-0.1 -2,-0.2 0.763 88.5 95.2 -56.3 -26.2 50.5 28.9 13.3 107 293 A N >< - 0 0 59 -4,-1.3 3,-2.1 1,-0.2 5,-0.4 -0.539 59.8-169.1 -71.7 91.1 52.9 26.2 14.6 108 294 A Q G > S+ 0 0 164 -2,-1.4 3,-2.0 1,-0.3 -1,-0.2 0.820 84.7 68.4 -51.0 -33.4 53.6 24.3 11.3 109 295 A R G 3 S+ 0 0 225 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.886 94.0 60.7 -53.0 -38.2 55.2 21.6 13.5 110 296 A F G < S- 0 0 59 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.523 98.6-136.2 -70.9 -8.7 51.6 21.0 14.7 111 297 A G < + 0 0 39 -3,-2.0 -33,-0.2 -4,-0.3 -3,-0.1 0.861 54.0 141.0 53.9 42.1 50.1 20.0 11.4 112 298 A M - 0 0 5 -5,-0.4 -1,-0.2 -7,-0.4 -35,-0.1 -0.856 43.3-146.0-117.3 92.0 47.0 22.1 11.9 113 299 A P - 0 0 20 0, 0.0 2,-3.7 0, 0.0 3,-0.3 -0.308 21.7-119.7 -60.7 137.2 46.0 23.8 8.6 114 300 A D > + 0 0 44 1,-0.2 4,-1.4 -9,-0.1 3,-0.4 -0.229 57.8 156.1 -73.0 53.0 44.4 27.2 8.9 115 301 A Y T 4 + 0 0 1 -2,-3.7 -1,-0.2 1,-0.2 5,-0.2 0.666 65.5 33.8 -58.7 -22.2 41.5 25.5 7.2 116 302 A F T 4 S+ 0 0 0 -3,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.625 111.8 53.4-113.9 -13.5 38.9 27.9 8.5 117 303 A R T 4 S+ 0 0 68 -3,-0.4 2,-0.2 12,-0.1 -2,-0.1 0.798 108.4 46.7 -90.0 -29.9 40.4 31.4 8.8 118 304 A Q S < S- 0 0 108 -4,-1.4 2,-0.4 10,-0.1 12,-0.1 -0.685 85.1-113.1-109.1 164.2 41.7 31.6 5.2 119 305 A S + 0 0 74 -2,-0.2 2,-0.3 10,-0.2 9,-0.2 -0.801 50.8 137.5 -97.5 134.6 40.1 30.9 1.9 120 306 A G E -G 127 0B 20 7,-1.2 7,-4.3 -2,-0.4 2,-0.4 -0.979 47.4-105.2-164.2 174.5 41.4 28.0 -0.2 121 307 A T E -G 126 0B 91 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.907 18.0-174.6-112.9 140.3 40.7 25.0 -2.4 122 308 A Y - 0 0 34 3,-3.5 2,-0.4 -2,-0.4 3,-0.3 -0.542 65.6 -64.9-131.9 64.7 41.1 21.4 -1.2 123 309 A G S S- 0 0 50 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.756 118.9 -3.5 93.4-136.8 40.4 19.4 -4.3 124 310 A S S S+ 0 0 70 -2,-0.4 29,-0.6 -3,-0.1 2,-0.5 0.477 124.5 84.2 -70.0 -0.9 37.0 19.6 -5.9 125 311 A I E - H 0 152B 3 -3,-0.3 -3,-3.5 27,-0.1 2,-0.5 -0.899 60.5-167.1-109.9 130.0 36.1 21.8 -2.9 126 312 A T E -GH 121 151B 50 25,-2.0 25,-2.1 -2,-0.5 2,-0.4 -0.956 10.0-156.6-116.5 131.5 36.7 25.5 -2.6 127 313 A V E -GH 120 150B 3 -7,-4.3 -7,-1.2 -2,-0.5 2,-0.5 -0.877 7.6-163.9-114.3 139.4 36.4 27.3 0.7 128 314 A E E - H 0 149B 66 21,-1.9 21,-2.1 -2,-0.4 2,-0.7 -0.973 7.9-156.2-120.3 120.7 35.7 31.0 1.5 129 315 A S E - H 0 148B 20 -2,-0.5 2,-0.6 19,-0.2 19,-0.2 -0.870 10.3-174.8-101.4 119.3 36.5 32.3 4.9 130 316 A K E - H 0 147B 148 17,-1.3 17,-2.5 -2,-0.7 2,-0.5 -0.936 18.9-141.1-115.9 108.1 34.4 35.4 5.8 131 317 A M E + H 0 146B 160 -2,-0.6 15,-0.3 15,-0.3 3,-0.1 -0.562 29.6 169.0 -71.0 116.4 35.4 37.0 9.1 132 318 A T E - 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0 0 21 -3,-2.6 -1,-0.3 -9,-0.1 2,-0.1 -0.643 46.2-138.8 -74.6 123.5 21.8 14.4 34.0 242 428 A S > - 0 0 0 -2,-0.5 4,-2.1 1,-0.1 37,-0.2 -0.300 17.0-121.1 -82.1 166.9 24.8 13.9 36.3 243 429 A V H > S+ 0 0 0 35,-1.7 4,-2.4 36,-0.3 5,-0.4 0.950 117.6 59.9 -66.7 -46.6 28.3 15.0 35.8 244 430 A E H > S+ 0 0 28 35,-3.2 4,-2.7 1,-0.2 5,-0.2 0.894 107.3 45.5 -43.9 -50.5 29.2 11.3 36.0 245 431 A D H > S+ 0 0 38 34,-0.2 4,-2.3 2,-0.2 5,-0.3 0.929 107.6 56.3 -61.5 -49.9 26.9 10.7 33.0 246 432 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.923 117.4 34.4 -48.8 -52.3 28.3 13.6 30.9 247 433 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.915 118.6 50.2 -72.7 -44.4 31.8 12.3 31.2 248 434 A S H < S+ 0 0 32 -4,-2.7 4,-0.4 -5,-0.4 -1,-0.2 0.718 114.4 47.3 -68.3 -19.4 31.0 8.6 31.1 249 435 A Q H >X S+ 0 0 56 -4,-2.3 4,-1.8 -5,-0.2 3,-0.7 0.911 110.7 47.9 -85.2 -48.6 28.8 9.1 28.1 250 436 A M H 3X>S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 5,-0.7 0.850 112.4 52.1 -59.0 -35.6 31.2 11.2 26.0 251 437 A R H 3<5S+ 0 0 14 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.698 110.3 45.9 -76.6 -21.3 33.9 8.7 26.7 252 438 A V H <45S+ 0 0 55 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.699 117.4 46.6 -90.1 -22.6 31.9 5.8 25.6 253 439 A Q H <5S+ 0 0 40 -4,-1.8 -201,-0.2 2,-0.1 -2,-0.2 0.708 136.7 1.5 -91.3 -22.3 30.9 7.7 22.5 254 440 A R T <5S- 0 0 0 -4,-1.8 -205,-0.7 -5,-0.2 2,-0.3 0.609 118.6 -48.3-126.3 -67.6 34.4 9.0 21.6 255 441 A N > < - 0 0 1 -5,-0.7 3,-2.2 -207,-0.1 -1,-0.2 -0.936 47.7 -99.4-171.9 153.6 37.2 7.8 23.8 256 442 A G T 3 S+ 0 0 2 -234,-0.4 -5,-0.1 1,-0.3 -233,-0.1 0.458 111.2 72.5 -60.0 -0.3 38.1 7.5 27.5 257 443 A I T 3 + 0 0 29 -235,-0.1 -1,-0.3 -6,-0.1 -6,-0.1 0.597 64.6 131.9 -91.1 -11.1 40.1 10.7 27.4 258 444 A M S < S+ 0 0 1 -3,-2.2 -36,-0.2 1,-0.2 -7,-0.1 -0.086 74.9 24.3 -43.6 133.5 37.1 12.9 27.1 259 445 A V S S- 0 0 2 -38,-2.5 -37,-0.2 -37,-0.2 -1,-0.2 0.984 88.5-171.0 65.7 58.6 37.4 15.7 29.6 260 446 A Q + 0 0 55 -39,-0.9 -38,-0.1 4,-0.1 -2,-0.1 0.932 54.3 44.4 -45.7 -71.3 41.2 15.2 29.5 261 447 A K S > S- 0 0 57 -89,-0.1 4,-0.5 1,-0.1 -89,-0.1 0.041 76.4-125.6 -72.4-177.4 42.5 17.4 32.3 262 448 A D H > S+ 0 0 89 2,-0.2 4,-3.4 3,-0.1 5,-0.2 0.810 107.5 59.3 -97.2 -44.4 41.2 17.9 35.9 263 449 A E H > S+ 0 0 81 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.696 105.6 55.3 -59.3 -16.5 40.8 21.6 35.8 264 450 A Q H > S+ 0 0 0 2,-0.2 4,-1.8 3,-0.1 -1,-0.3 0.897 107.2 45.6 -81.3 -45.5 38.4 20.9 33.0 265 451 A L H X S+ 0 0 11 -4,-0.5 4,-3.4 1,-0.2 5,-0.3 0.977 108.9 59.8 -58.5 -52.1 36.3 18.4 35.1 266 452 A D H X S+ 0 0 72 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.848 102.4 50.4 -41.9 -50.8 36.4 21.0 37.8 267 453 A V H X S+ 0 0 13 -4,-1.2 4,-3.9 2,-0.2 5,-0.3 0.971 112.5 45.6 -56.6 -55.3 34.7 23.7 35.7 268 454 A L H X S+ 0 0 0 -4,-1.8 4,-3.6 1,-0.3 5,-0.3 0.942 113.0 52.3 -52.0 -47.0 31.9 21.3 34.7 269 455 A I H X S+ 0 0 2 -4,-3.4 4,-2.0 1,-0.2 -1,-0.3 0.891 113.3 44.3 -55.8 -39.7 31.8 20.4 38.4 270 456 A K H X S+ 0 0 105 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.953 113.9 47.4 -72.0 -48.5 31.5 24.0 39.2 271 457 A L H X S+ 0 0 28 -4,-3.9 4,-0.8 1,-0.2 -2,-0.2 0.914 114.4 49.7 -56.5 -42.6 28.9 24.8 36.5 272 458 A A H ><>S+ 0 0 0 -4,-3.6 5,-2.6 -5,-0.3 3,-0.6 0.887 106.3 56.5 -63.5 -40.9 27.0 21.8 37.6 273 459 A E H ><5S+ 0 0 81 -4,-2.0 3,-3.1 -5,-0.3 -2,-0.2 0.961 101.8 52.8 -57.1 -57.0 27.1 22.8 41.2 274 460 A G H 3<5S+ 0 0 74 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.754 110.8 51.2 -51.9 -23.1 25.5 26.2 40.7 275 461 A Q T <<5S- 0 0 102 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.525 111.6-121.7 -92.3 -6.6 22.7 24.3 39.0 276 462 A G T < 5 + 0 0 53 -3,-3.1 -3,-0.2 -4,-0.4 -2,-0.1 0.852 58.1 158.8 68.1 30.4 22.3 21.9 41.8 277 463 A R < - 0 0 22 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.1 -0.675 45.7-106.9 -86.8 140.5 23.0 19.2 39.3 278 464 A P - 0 0 46 0, 0.0 -35,-1.7 0, 0.0 -34,-0.2 -0.411 23.0-161.1 -70.0 143.7 24.2 15.9 40.8 279 465 A L S S+ 0 0 4 -277,-0.2 -35,-3.2 -37,-0.2 -36,-0.3 0.947 72.6 32.8 -84.4 -62.8 27.9 15.0 40.4 280 466 A L S S- 0 0 40 -278,-0.2 2,-0.4 -37,-0.2 -37,-0.1 -0.349 84.7-110.2 -90.6 171.1 27.9 11.2 41.0 281 467 A N 0 0 51 -2,-0.1 -1,-0.0 -39,-0.1 -2,-0.0 -0.882 360.0 360.0-105.9 133.5 25.2 8.6 40.3 282 468 A S 0 0 197 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 -0.095 360.0 360.0 -79.4 360.0 23.3 7.0 43.1