==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TYROSINE-PROTEIN KINASE 08-APR-97 3LCK . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.YAMAGUCHI,W.A.HENDRICKSON . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 16.2 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 0 1 1 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 231 A K 0 0 164 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 1.1 27.8 89.8 2 232 A P >> - 0 0 49 0, 0.0 3,-2.3 0, 0.0 4,-2.1 -0.300 360.0-105.0 -59.1 153.8 2.4 26.5 93.2 3 233 A W T 34 S+ 0 0 146 1,-0.3 6,-0.2 2,-0.2 75,-0.0 0.840 120.2 61.7 -57.8 -30.0 6.0 25.5 93.1 4 234 A W T 34 S+ 0 0 170 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.608 116.5 31.1 -73.9 -6.9 5.1 21.8 93.1 5 235 A E T <4 S+ 0 0 116 -3,-2.3 -1,-0.2 0, 0.0 -2,-0.2 0.526 92.4 113.3-117.7 -16.2 3.3 22.3 89.8 6 236 A D >< - 0 0 18 -4,-2.1 3,-0.9 1,-0.2 -3,-0.0 -0.364 61.6-144.5 -62.7 126.1 5.4 25.1 88.4 7 237 A E T 3 S+ 0 0 107 1,-0.2 -1,-0.2 -2,-0.2 -4,-0.0 0.684 96.0 53.7 -66.9 -15.7 7.3 23.9 85.3 8 238 A W T 3 S+ 0 0 35 67,-0.1 68,-2.2 2,-0.0 -1,-0.2 0.662 81.7 105.6 -92.6 -16.0 10.3 26.0 86.1 9 239 A E B < +a 76 0A 38 -3,-0.9 68,-0.2 66,-0.2 66,-0.0 -0.413 46.4 177.8 -67.9 133.2 10.9 24.8 89.6 10 240 A V - 0 0 17 66,-2.1 68,-0.1 -2,-0.1 2,-0.0 -0.983 36.5 -98.4-134.3 150.5 13.9 22.4 90.1 11 241 A P > - 0 0 78 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.375 33.0-126.7 -56.3 138.4 15.5 20.6 93.1 12 242 A R G > S+ 0 0 50 1,-0.3 3,-1.8 2,-0.2 65,-0.0 0.815 106.4 71.2 -64.5 -22.5 18.5 22.6 94.2 13 243 A E G 3 S+ 0 0 165 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.659 83.0 69.5 -66.5 -14.9 20.5 19.4 93.9 14 244 A T G < S+ 0 0 23 -3,-1.9 21,-3.1 21,-0.1 2,-0.4 0.572 93.3 76.3 -78.7 -4.9 20.3 19.5 90.1 15 245 A L E < -B 34 0A 21 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.845 53.5-174.0-115.8 142.2 22.6 22.5 90.2 16 246 A K E -B 33 0A 138 17,-2.0 17,-2.2 -2,-0.4 2,-0.6 -0.969 17.3-149.1-128.1 115.0 26.3 22.9 90.7 17 247 A L E +B 32 0A 48 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.746 24.9 167.8 -84.8 122.7 27.6 26.5 91.0 18 248 A V E + 0 0 64 13,-2.3 2,-0.4 -2,-0.6 14,-0.2 0.849 56.7 20.6-105.5 -41.9 31.1 26.5 89.6 19 249 A E E -B 31 0A 104 12,-2.3 12,-3.1 0, 0.0 2,-0.5 -0.973 66.7-136.0-135.0 123.3 32.4 30.1 89.1 20 250 A R E -B 30 0A 129 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.646 19.9-178.3 -79.1 126.4 31.1 33.2 90.7 21 251 A L E - 0 0 83 8,-3.1 2,-0.3 -2,-0.5 9,-0.2 0.705 63.6 -4.4 -94.4 -23.2 30.8 35.9 88.1 22 252 A G E -B 29 0A 30 7,-1.9 7,-2.4 2,-0.0 2,-0.3 -0.994 51.0-160.2-167.0 158.6 29.6 38.7 90.3 23 253 A A E +B 28 0A 70 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.996 23.2 153.2-146.6 138.7 28.6 39.6 93.8 24 254 A G E > -B 27 0A 47 3,-3.0 3,-1.3 -2,-0.3 22,-0.0 -0.833 57.6 -67.0-150.2-170.8 26.6 42.6 95.0 25 255 A Q T 3 S+ 0 0 145 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.799 127.3 39.1 -57.3 -30.6 24.3 44.0 97.6 26 256 A F T 3 S- 0 0 94 1,-0.2 20,-2.3 19,-0.1 2,-0.3 0.328 124.5 -69.1-108.9 8.9 21.4 41.7 96.7 27 257 A G E < -BC 24 45A 13 -3,-1.3 -3,-3.0 18,-0.3 2,-0.3 -0.951 57.1 -68.4 141.8-159.8 23.2 38.4 96.0 28 258 A E E -BC 23 44A 61 16,-1.0 16,-3.1 -2,-0.3 2,-0.4 -0.882 21.4-138.2-135.2 162.4 25.5 36.8 93.5 29 259 A V E -BC 22 43A 56 -7,-2.4 -8,-3.1 -2,-0.3 -7,-1.9 -0.987 28.0-178.4-123.6 127.2 25.7 35.6 89.9 30 260 A W E -BC 20 42A 50 12,-2.7 12,-3.0 -2,-0.4 2,-0.5 -0.873 29.9-129.2-126.4 155.9 27.4 32.3 89.1 31 261 A M E +BC 19 41A 13 -12,-3.1 -13,-2.3 -2,-0.3 -12,-2.3 -0.909 50.2 149.8 -97.1 127.7 28.2 30.1 86.2 32 262 A G E -BC 17 40A 0 8,-2.9 8,-2.7 -2,-0.5 2,-0.4 -0.818 41.0-106.3-145.7-172.1 27.1 26.6 86.9 33 263 A Y E -BC 16 39A 69 -17,-2.2 -17,-2.0 -2,-0.2 2,-0.5 -0.978 14.8-145.7-130.1 136.9 25.8 23.4 85.5 34 264 A Y E >> S-BC 15 38A 51 4,-2.7 4,-1.9 -2,-0.4 3,-0.6 -0.899 88.9 -9.5-100.3 127.0 22.3 21.8 85.6 35 265 A N T 34 S- 0 0 94 -21,-3.1 2,-1.7 -2,-0.5 -1,-0.2 0.895 120.5 -73.3 47.1 46.6 22.4 18.1 85.8 36 266 A G T 34 S+ 0 0 56 -22,-0.4 -1,-0.3 -3,-0.4 -2,-0.0 -0.078 128.8 53.6 69.8 -35.6 26.1 18.1 85.2 37 267 A H T <4 S+ 0 0 175 -2,-1.7 2,-0.7 -3,-0.6 -1,-0.2 0.706 82.5 80.9-107.9 -20.5 26.1 18.9 81.5 38 268 A T E < -C 34 0A 62 -4,-1.9 -4,-2.7 1,-0.0 2,-0.2 -0.781 68.2-139.7 -98.4 117.3 24.1 22.1 80.8 39 269 A K E +C 33 0A 71 -2,-0.7 49,-0.6 -6,-0.2 2,-0.3 -0.499 33.7 163.8 -72.9 133.0 25.8 25.4 81.4 40 270 A V E -CD 32 87A 1 -8,-2.7 -8,-2.9 -2,-0.2 2,-0.4 -0.937 38.5-115.4-143.9 162.2 23.6 28.0 83.0 41 271 A A E -CD 31 86A 14 45,-2.6 45,-2.6 -2,-0.3 2,-0.5 -0.863 28.5-160.0 -98.4 137.4 23.8 31.3 84.9 42 272 A V E -CD 30 85A 1 -12,-3.0 -12,-2.7 -2,-0.4 2,-0.6 -0.960 5.7-167.0-121.8 119.3 22.5 31.2 88.5 43 273 A K E -CD 29 84A 62 41,-3.0 41,-2.6 -2,-0.5 2,-0.4 -0.906 12.4-161.8-103.4 125.7 21.5 34.4 90.3 44 274 A S E -CD 28 83A 14 -16,-3.1 -16,-1.0 -2,-0.6 2,-0.5 -0.845 14.5-128.2-109.7 143.1 21.1 34.0 94.0 45 275 A L E -C 27 0A 6 37,-2.4 2,-0.7 -2,-0.4 -18,-0.3 -0.738 17.7-131.9 -89.8 126.2 19.2 36.3 96.4 46 276 A K > - 0 0 119 -20,-2.3 3,-2.4 -2,-0.5 4,-0.5 -0.642 36.4-113.7 -72.2 113.1 21.1 37.4 99.5 47 277 A Q T 3 S+ 0 0 103 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 -0.205 96.7 11.7 -53.0 132.0 18.6 36.8 102.3 48 278 A G T 3 S+ 0 0 80 2,-0.4 -1,-0.3 -22,-0.1 3,-0.1 0.239 98.7 100.8 87.4 -14.8 17.4 40.0 103.8 49 279 A S S < S- 0 0 31 -3,-2.4 2,-0.3 1,-0.2 -2,-0.1 0.778 97.8 -16.5 -76.3 -23.8 18.8 42.3 101.1 50 280 A M S S- 0 0 61 -4,-0.5 -2,-0.4 -24,-0.1 -1,-0.2 -0.979 92.2 -60.3-167.2 167.7 15.5 42.7 99.4 51 281 A S > - 0 0 57 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 -0.366 31.9-145.4 -62.0 131.0 12.1 41.2 99.2 52 282 A P H > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.824 104.9 54.8 -60.7 -31.0 12.0 37.6 98.0 53 283 A D H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -2,-0.1 0.925 108.4 47.0 -68.8 -43.1 8.7 38.5 96.3 54 284 A A H > S+ 0 0 52 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.911 112.2 51.3 -63.5 -40.4 10.4 41.3 94.5 55 285 A F H >X S+ 0 0 11 -4,-2.5 3,-1.0 1,-0.2 4,-0.6 0.967 113.2 42.9 -61.8 -50.9 13.2 39.1 93.5 56 286 A L H 3X S+ 0 0 31 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.754 95.3 77.7 -73.1 -20.6 11.0 36.3 92.1 57 287 A A H 3X S+ 0 0 48 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.866 90.3 58.4 -55.5 -32.5 8.7 38.8 90.3 58 288 A E H < S+ 0 0 22 -4,-2.2 3,-1.2 1,-0.2 4,-0.4 0.911 105.7 57.3 -67.5 -37.5 7.7 38.1 84.1 62 292 A M H >< S+ 0 0 6 -4,-2.1 3,-1.1 1,-0.3 11,-0.3 0.820 94.7 65.7 -64.2 -26.7 10.3 36.1 82.1 63 293 A K H 3< S+ 0 0 31 -4,-1.5 -1,-0.3 1,-0.2 3,-0.3 0.843 104.3 47.3 -61.8 -27.1 7.9 33.2 81.9 64 294 A Q T << S+ 0 0 121 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.493 107.1 58.6 -90.4 -6.8 5.7 35.5 79.8 65 295 A L < + 0 0 5 -3,-1.1 2,-0.6 -4,-0.4 -1,-0.2 -0.549 63.5 156.9-126.6 70.4 8.5 36.8 77.5 66 296 A Q + 0 0 101 -2,-0.3 2,-0.3 -3,-0.3 5,-0.1 -0.833 15.9 132.6 -98.3 120.8 10.0 33.8 75.8 67 297 A H > - 0 0 66 -2,-0.6 3,-1.8 3,-0.4 -2,-0.0 -0.981 64.3-110.7-159.9 152.6 11.8 34.6 72.5 68 298 A Q T 3 S+ 0 0 141 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.822 117.3 53.9 -57.3 -30.4 15.1 33.8 70.9 69 299 A R T 3 S+ 0 0 29 51,-0.1 81,-2.8 80,-0.1 2,-0.4 0.369 100.3 71.8 -89.2 5.5 16.3 37.4 71.3 70 300 A L B < S-f 150 0B 1 -3,-1.8 -3,-0.4 79,-0.3 81,-0.2 -0.973 95.6-101.2-120.7 136.8 15.6 37.5 75.1 71 301 A V - 0 0 8 79,-2.9 2,-0.3 -2,-0.4 -2,-0.1 -0.333 47.7-127.7 -53.6 124.7 17.6 35.7 77.8 72 302 A R - 0 0 120 -4,-0.1 15,-2.2 -6,-0.1 2,-0.4 -0.567 7.2-121.7 -84.8 135.7 15.5 32.7 78.6 73 303 A L E - E 0 86A 5 -2,-0.3 13,-0.3 -11,-0.3 3,-0.1 -0.614 29.6-178.7 -70.9 125.6 14.4 31.7 82.1 74 304 A Y E - 0 0 60 11,-2.8 2,-0.3 -2,-0.4 12,-0.2 0.878 53.6 -41.5 -93.2 -48.0 15.8 28.2 82.7 75 305 A A E - E 0 85A 0 10,-1.8 10,-3.0 -65,-0.0 -1,-0.4 -0.981 46.5-133.3-168.0 176.0 14.6 27.4 86.2 76 306 A V E -aE 9 84A 5 -68,-2.2 -66,-2.1 -2,-0.3 2,-0.5 -0.995 4.0-156.7-145.9 148.1 13.9 28.6 89.7 77 307 A V E - E 0 83A 3 6,-2.1 6,-2.3 -2,-0.3 -68,-0.1 -0.947 12.4-172.8-123.8 103.5 14.5 27.4 93.2 78 308 A T + 0 0 49 -2,-0.5 2,-0.2 4,-0.2 4,-0.2 0.631 57.3 92.5 -77.3 -13.8 12.0 29.1 95.5 79 309 A Q S S- 0 0 132 2,-0.2 4,-0.2 1,-0.1 -2,-0.1 -0.579 92.4 -59.8 -78.6 146.0 13.4 27.9 98.7 80 310 A E S S+ 0 0 110 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.461 128.3 47.7 -73.7 137.9 16.0 30.2 100.4 81 311 A P S S- 0 0 40 0, 0.0 -2,-0.2 0, 0.0 2,-0.1 0.367 99.7-143.6 -68.8 132.3 18.5 31.0 99.2 82 312 A I - 0 0 7 -37,-0.2 -37,-2.4 -4,-0.2 2,-0.4 -0.420 15.6-159.6 -69.9 137.5 16.2 31.7 96.2 83 313 A Y E -DE 44 77A 29 -6,-2.3 -6,-2.1 -39,-0.2 2,-0.5 -0.953 15.7-165.5-120.7 136.8 17.8 31.1 92.8 84 314 A I E -DE 43 76A 3 -41,-2.6 -41,-3.0 -2,-0.4 2,-0.5 -0.983 18.0-161.5-113.9 117.3 16.8 32.3 89.4 85 315 A I E +DE 42 75A 0 -10,-3.0 -11,-2.8 -2,-0.5 -10,-1.8 -0.865 15.4 175.5-102.9 132.4 18.6 30.2 86.7 86 316 A T E -DE 41 73A 25 -45,-2.6 -45,-2.6 -2,-0.5 -13,-0.2 -0.807 39.0 -68.4-134.1 172.5 18.9 31.6 83.2 87 317 A E E -D 40 0A 53 -15,-2.2 2,-0.2 -2,-0.3 -47,-0.1 -0.376 55.1-123.3 -58.5 121.7 20.3 31.0 79.7 88 318 A Y - 0 0 44 -49,-0.6 2,-0.6 -2,-0.2 -1,-0.1 -0.461 20.4-160.2 -73.7 135.5 24.1 31.3 79.9 89 319 A M > - 0 0 13 -2,-0.2 3,-1.9 1,-0.1 53,-0.2 -0.904 5.4-155.1-121.6 105.9 25.6 33.9 77.6 90 320 A E T 3 S+ 0 0 88 -2,-0.6 53,-0.2 1,-0.3 -1,-0.1 0.776 86.9 47.3 -53.3 -38.2 29.3 33.2 77.0 91 321 A N T 3 S- 0 0 57 51,-2.3 -1,-0.3 1,-0.2 6,-0.2 0.242 96.1-144.8 -96.8 19.5 30.5 36.6 76.1 92 322 A G < - 0 0 32 -3,-1.9 50,-2.9 50,-0.3 -1,-0.2 -0.079 52.9 -0.5 63.0-153.4 28.9 38.5 79.0 93 323 A S B > -G 141 0B 16 48,-0.2 4,-3.3 1,-0.1 3,-0.4 -0.421 62.3-128.3 -76.4 148.4 27.5 42.0 78.8 94 324 A L H > S+ 0 0 0 46,-2.7 4,-2.5 43,-0.7 5,-0.2 0.909 108.5 57.0 -60.7 -42.4 27.7 43.9 75.5 95 325 A V H 4 S+ 0 0 21 42,-1.3 -1,-0.2 45,-0.3 43,-0.1 0.851 115.1 39.3 -62.5 -29.7 29.2 47.0 77.2 96 326 A D H >4 S+ 0 0 100 -3,-0.4 3,-1.6 41,-0.2 4,-0.4 0.904 112.9 54.6 -82.2 -44.3 32.0 44.7 78.5 97 327 A F H >< S+ 0 0 6 -4,-3.3 3,-1.7 1,-0.3 6,-0.6 0.877 99.3 60.6 -57.9 -39.7 32.4 42.6 75.3 98 328 A L T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.667 102.5 54.9 -66.2 -10.9 32.9 45.6 73.0 99 329 A K T < S+ 0 0 120 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.521 89.2 94.3 -97.0 -6.4 36.0 46.5 75.0 100 330 A T S <> S- 0 0 52 -3,-1.7 4,-3.1 -4,-0.4 5,-0.2 -0.373 94.5-101.8 -78.8 165.1 37.7 43.1 74.6 101 331 A P H > S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.917 126.1 47.0 -51.8 -42.6 40.2 42.4 71.8 102 332 A S H 4 S+ 0 0 73 2,-0.2 4,-0.5 1,-0.2 -4,-0.1 0.929 112.4 47.9 -67.4 -43.5 37.4 40.6 69.9 103 333 A G H >4 S+ 0 0 0 -6,-0.6 3,-1.4 1,-0.2 -1,-0.2 0.926 108.5 55.4 -63.5 -41.9 34.9 43.3 70.5 104 334 A I H 3< S+ 0 0 101 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.879 103.2 55.0 -60.2 -35.9 37.3 46.0 69.4 105 335 A K T 3< S+ 0 0 163 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.607 80.6 123.0 -75.6 -6.7 38.0 44.3 66.0 106 336 A L < - 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0 0 11 -2,-0.4 3,-1.7 -25,-0.2 4,-1.2 -0.862 60.5 -89.8-139.7 177.0 6.0 53.7 77.8 189 419 A I H 3> S+ 0 0 27 -27,-0.3 4,-1.7 1,-0.3 5,-0.1 0.825 127.5 64.2 -60.9 -23.3 7.6 51.6 75.0 190 420 A K H 3> S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.761 95.4 56.9 -69.7 -24.0 8.5 55.0 73.5 191 421 A S H <> S+ 0 0 2 -3,-1.7 4,-2.0 2,-0.2 -13,-0.3 0.852 105.8 50.3 -71.2 -36.3 10.7 55.6 76.6 192 422 A D H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.870 104.8 58.0 -67.7 -35.7 12.6 52.4 75.8 193 423 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.916 105.2 49.9 -60.6 -41.7 13.0 53.7 72.2 194 424 A W H X S+ 0 0 2 -4,-1.5 4,-1.7 1,-0.2 3,-0.3 0.960 111.1 49.3 -58.8 -48.6 14.8 56.8 73.6 195 425 A S H X S+ 0 0 7 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.882 105.9 57.1 -58.2 -38.5 17.0 54.5 75.6 196 426 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 102.1 55.4 -61.7 -37.8 17.7 52.4 72.6 197 427 A G H X S+ 0 0 0 -4,-1.8 4,-1.0 -3,-0.3 -1,-0.2 0.928 110.1 45.9 -59.8 -42.6 19.0 55.5 70.8 198 428 A I H >X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-0.7 0.925 108.9 55.6 -64.5 -42.9 21.4 56.0 73.7 199 429 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 3,-0.2 0.911 100.1 60.6 -58.7 -37.7 22.4 52.3 73.5 200 430 A L H 3X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.888 101.4 52.9 -57.9 -34.9 23.2 52.8 69.9 201 431 A T H S+ 0 0 5 -4,-1.5 5,-3.3 -3,-0.2 6,-0.3 0.884 109.2 50.3 -66.6 -35.3 27.4 52.8 73.3 203 433 A I H ><5S+ 0 0 4 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.976 111.8 44.0 -66.0 -50.9 27.6 50.3 70.4 204 434 A V H 3<5S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 116.8 47.0 -72.0 -19.0 29.4 52.6 68.0 205 435 A T T 3<5S- 0 0 31 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.3 0.224 113.2-115.4-102.2 16.2 31.8 53.9 70.7 206 436 A H T < 5S- 0 0 52 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.916 82.8 -34.9 49.6 47.3 32.6 50.4 72.0 207 437 A G S S- 0 0 6 19,-0.2 3,-1.8 1,-0.1 8,-0.1 0.976 91.4-135.6 54.5 61.4 27.2 62.5 76.6 212 442 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 -0.122 78.9 5.8 -47.0 130.5 31.0 62.6 76.9 213 443 A G T 3 S+ 0 0 85 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.638 104.1 117.1 71.2 14.8 32.3 65.2 79.3 214 444 A M < - 0 0 41 -3,-1.8 -1,-0.2 -4,-0.2 2,-0.1 -0.919 55.2-141.1-121.8 142.6 28.9 66.2 80.6 215 445 A T > - 0 0 77 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.454 37.8-102.1 -84.2 167.8 27.3 66.0 84.1 216 446 A N H > S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 123.2 53.9 -60.8 -41.3 23.7 65.0 84.4 217 447 A P H > S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.914 109.8 49.2 -56.1 -40.2 22.6 68.7 85.0 218 448 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.890 110.1 50.2 -67.7 -38.0 24.4 69.6 81.8 219 449 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.964 113.0 46.5 -62.4 -49.7 22.6 66.7 79.9 220 450 A I H X S+ 0 0 54 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.927 112.7 49.8 -58.2 -44.8 19.2 67.9 81.2 221 451 A Q H X S+ 0 0 116 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.939 112.4 47.1 -61.9 -44.5 20.0 71.5 80.4 222 452 A N H ><>S+ 0 0 44 -4,-2.5 5,-2.0 1,-0.2 3,-0.8 0.922 109.5 52.5 -65.3 -42.7 21.1 70.6 76.8 223 453 A L H ><5S+ 0 0 17 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.923 106.6 53.7 -59.6 -40.7 18.1 68.4 76.1 224 454 A E H 3<5S+ 0 0 136 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.723 103.2 57.1 -70.1 -16.7 15.7 71.2 77.2 225 455 A R T <<5S- 0 0 156 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.536 125.3-102.2 -85.0 -6.4 17.3 73.6 74.7 226 456 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.402 80.8 133.5 100.1 -3.9 16.6 71.2 71.9 227 457 A Y < - 0 0 115 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.2 -0.415 35.4-165.8 -75.2 158.4 20.1 69.8 71.7 228 458 A R - 0 0 30 1,-0.1 3,-0.1 -3,-0.1 16,-0.0 -0.779 43.5 -51.8-130.2-178.7 20.8 66.1 71.6 229 459 A M - 0 0 6 -2,-0.2 -1,-0.1 1,-0.1 15,-0.0 -0.263 64.2-107.1 -58.3 137.6 24.0 64.1 72.1 230 460 A V - 0 0 113 1,-0.2 -19,-0.2 -18,-0.1 -1,-0.1 -0.304 49.6 -82.4 -60.1 144.5 26.9 65.3 70.0 231 461 A R - 0 0 133 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.295 51.7-122.5 -49.5 120.2 27.8 63.0 67.1 232 462 A P > - 0 0 15 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.267 39.5 -83.4 -59.9 152.2 30.0 60.2 68.5 233 463 A D T 3 S+ 0 0 114 1,-0.3 0, 0.0 -28,-0.0 0, 0.0 -0.341 112.7 2.6 -59.6 138.8 33.4 59.8 66.9 234 464 A N T 3 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.772 89.8 155.0 55.4 28.4 33.3 57.8 63.7 235 465 A C < - 0 0 20 -3,-1.6 -1,-0.2 -30,-0.0 -34,-0.0 -0.777 48.6-118.8 -86.9 124.1 29.5 57.4 63.9 236 466 A P > - 0 0 44 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.355 19.7-131.2 -53.0 133.4 27.9 56.8 60.4 237 467 A E H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.869 106.6 59.2 -63.3 -32.4 25.6 59.7 59.8 238 468 A E H > S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.922 109.1 43.8 -59.8 -41.3 22.8 57.3 58.8 239 469 A L H > S+ 0 0 6 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.900 111.3 54.5 -71.0 -37.6 23.1 55.7 62.3 240 470 A Y H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.932 107.8 49.2 -62.9 -41.3 23.3 59.1 63.9 241 471 A Q H X S+ 0 0 89 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.850 108.2 54.2 -67.5 -28.7 20.0 60.2 62.2 242 472 A L H X S+ 0 0 6 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.914 107.1 51.4 -68.8 -39.4 18.3 57.0 63.4 243 473 A M H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.927 105.7 56.4 -58.8 -42.4 19.4 57.9 67.0 244 474 A R H >< S+ 0 0 79 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.884 102.2 54.4 -60.5 -37.3 17.8 61.3 66.5 245 475 A L H >< S+ 0 0 51 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.923 106.4 53.1 -60.5 -40.4 14.5 59.7 65.6 246 476 A C H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.746 108.1 52.0 -63.9 -23.8 14.7 57.8 68.9 247 477 A W T << S+ 0 0 1 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.085 76.2 142.4-103.6 23.7 15.3 61.1 70.7 248 478 A K < - 0 0 88 -3,-1.4 6,-0.1 1,-0.1 5,-0.1 -0.330 57.8-121.2 -62.9 148.9 12.3 63.0 69.3 249 479 A E S S+ 0 0 132 4,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.949 97.4 56.9 -57.4 -56.1 10.6 65.3 71.8 250 480 A R S >> S- 0 0 130 1,-0.2 3,-1.9 2,-0.0 4,-0.5 -0.707 79.4-141.3 -82.2 125.1 7.1 63.8 71.7 251 481 A P G >4 S+ 0 0 32 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.879 100.5 59.4 -49.1 -43.3 7.2 60.1 72.6 252 482 A E G 34 S+ 0 0 117 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.723 99.0 57.9 -65.6 -18.2 4.5 59.4 70.0 253 483 A D G <4 S+ 0 0 70 -3,-1.9 -1,-0.3 -5,-0.1 -4,-0.1 0.621 85.6 99.5 -84.4 -12.5 6.8 60.7 67.2 254 484 A R S << S- 0 0 4 -3,-1.7 -8,-0.2 -4,-0.5 -9,-0.1 -0.461 81.9-104.5 -74.0 148.6 9.5 58.2 68.1 255 485 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.132 30.6-105.9 -70.7 164.1 9.7 55.1 65.8 256 486 A T > - 0 0 59 1,-0.1 4,-2.3 -63,-0.0 5,-0.2 -0.507 27.1-117.4 -82.7 160.3 8.5 51.6 66.7 257 487 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -134,-0.3 0.827 116.7 58.3 -67.4 -28.1 11.1 49.0 67.5 258 488 A D H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 107.4 47.7 -66.1 -38.9 9.9 47.0 64.5 259 489 A Y H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.951 112.0 49.0 -61.9 -49.1 10.7 50.0 62.3 260 490 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.908 110.4 51.6 -59.3 -39.9 14.1 50.3 64.0 261 491 A R H X S+ 0 0 48 -4,-2.7 4,-2.4 -142,-0.3 5,-0.2 0.955 110.5 47.8 -61.7 -47.2 14.8 46.7 63.4 262 492 A S H X S+ 0 0 47 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.910 113.1 47.6 -62.5 -41.9 13.9 46.9 59.7 263 493 A V H X S+ 0 0 19 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.949 111.9 49.6 -64.6 -47.3 16.1 49.9 59.2 264 494 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.870 108.4 53.0 -63.0 -34.4 19.1 48.5 61.0 265 495 A E H X S+ 0 0 65 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.928 109.7 49.4 -65.3 -39.3 18.8 45.2 59.0 266 496 A D H X S+ 0 0 97 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.910 109.8 50.7 -64.2 -38.8 18.9 47.3 55.8 267 497 A F H X S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.906 113.6 46.8 -61.2 -41.7 21.9 49.2 57.1 268 498 A F H < S+ 0 0 63 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.918 110.9 48.5 -67.1 -47.1 23.6 45.9 57.8 269 499 A T H < S+ 0 0 102 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.749 114.2 50.4 -71.4 -16.8 22.8 44.3 54.5 270 500 A A H < 0 0 81 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.937 360.0 360.0 -81.7 -50.9 24.1 47.5 52.9 271 501 A T < 0 0 78 -4,-2.7 0, 0.0 -5,-0.2 0, 0.0 -0.079 360.0 360.0 -70.6 360.0 27.4 47.7 54.7