==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-06 2G1T . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.M.LEVINSON,O.KUCHMENT . 1130 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 75 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 0 7 4 0 1 4 0 4 0 0 1 6 0 0 0 4 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 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 PARALLEL BRIDGES PER LADDER . 4 0 6 6 4 4 0 4 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 . 4 0 4 0 4 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 1 232 A Y >> 0 0 111 0, 0.0 3,-1.9 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 21.4 -5.0 2.0 -65.1 2 233 A D T 34 + 0 0 122 1,-0.3 991,-0.1 2,-0.2 3,-0.0 0.753 360.0 67.3 -57.8 -26.2 -6.1 5.1 -67.0 3 234 A K T 34 S+ 0 0 121 1,-0.2 990,-2.9 990,-0.2 -1,-0.3 0.724 119.8 16.5 -70.1 -18.8 -9.1 5.6 -64.7 4 235 A W T <4 S+ 0 0 16 -3,-1.9 69,-2.2 988,-0.2 2,-0.7 0.330 92.4 107.1-137.6 9.8 -6.8 6.4 -61.8 5 236 A E E < -a 73 0A 62 -4,-1.2 69,-0.2 67,-0.2 2,-0.1 -0.836 51.5-178.5 -93.5 116.1 -3.3 7.2 -63.0 6 237 A M E -a 74 0A 6 67,-2.9 69,-0.7 -2,-0.7 70,-0.5 -0.445 25.3-124.0-107.1-178.3 -2.9 11.0 -62.6 7 238 A E > - 0 0 51 67,-0.2 3,-2.3 -2,-0.1 4,-0.3 -0.936 27.2-118.5-124.9 145.6 -0.4 13.7 -63.3 8 239 A R G > S+ 0 0 67 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.870 114.6 59.2 -53.5 -38.5 1.0 16.0 -60.6 9 240 A T G 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.1 22,-0.1 0.592 87.9 75.0 -68.4 -10.0 -0.4 19.0 -62.4 10 241 A D G < S+ 0 0 63 -3,-2.3 21,-1.5 1,-0.1 22,-0.4 0.646 96.8 57.4 -74.7 -13.4 -3.9 17.5 -62.1 11 242 A I E < S-B 30 0A 9 -3,-1.8 2,-0.7 -4,-0.3 19,-0.2 -0.964 74.2-141.1-126.9 135.5 -3.8 18.5 -58.5 12 243 A T E -B 29 0A 62 17,-2.6 17,-1.8 -2,-0.4 2,-0.4 -0.818 26.8-140.8 -90.9 117.4 -3.3 21.9 -56.8 13 244 A M E +B 28 0A 58 -2,-0.7 15,-0.2 15,-0.2 2,-0.1 -0.656 26.1 173.2 -83.1 132.2 -1.2 21.4 -53.7 14 245 A K E - 0 0 72 13,-2.9 362,-0.2 -2,-0.4 363,-0.1 -0.067 44.2 -23.1-112.3-144.8 -2.1 23.4 -50.6 15 246 A H E - 0 0 62 361,-0.2 12,-2.5 11,-0.1 -1,-0.3 -0.240 66.8-103.0 -70.9 156.6 -0.8 23.2 -47.0 16 247 A K E -B 26 0A 82 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.590 26.1-168.4 -77.8 134.6 1.0 20.2 -45.4 17 248 A L E - 0 0 80 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.702 54.5 -80.6 -95.9 -25.0 -1.3 18.3 -43.0 18 249 A G E -B 25 0A 28 7,-1.4 7,-3.1 2,-0.0 -1,-0.4 -0.980 46.3-136.2 155.0-155.8 1.4 16.2 -41.4 19 250 A G E -B 24 0A 56 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.980 10.8-166.6 179.2 174.6 3.4 13.1 -42.3 20 251 A G - 0 0 48 3,-2.3 3,-0.3 -2,-0.3 -2,-0.0 -0.699 56.7 -43.8-153.1-154.2 4.8 9.7 -41.3 21 252 A Q S S+ 0 0 76 1,-0.2 22,-0.1 -2,-0.2 3,-0.1 0.740 129.9 43.9 -61.5 -24.4 7.2 6.9 -42.2 22 253 A Y S S- 0 0 39 1,-0.3 21,-2.1 20,-0.1 2,-0.3 0.738 121.8 -63.4 -96.9 -23.3 6.0 6.8 -45.8 23 254 A G E - C 0 42A 4 -3,-0.3 -3,-2.3 19,-0.3 -1,-0.3 -0.971 59.1 -59.5 163.5-174.8 5.8 10.4 -46.8 24 255 A E E -BC 19 41A 79 17,-1.5 17,-2.5 -2,-0.3 2,-0.4 -0.693 40.1-139.1 -98.6 151.5 4.2 13.8 -46.2 25 256 A V E -BC 18 40A 31 -7,-3.1 -8,-3.6 -2,-0.3 -7,-1.4 -0.931 20.8-179.1-114.8 133.4 0.5 14.5 -46.5 26 257 A Y E -BC 16 39A 39 13,-2.5 13,-2.8 -2,-0.4 2,-0.4 -0.908 31.7-116.0-126.7 154.1 -1.0 17.7 -48.0 27 258 A E E + C 0 38A 38 -12,-2.5 -13,-2.9 -2,-0.3 2,-0.3 -0.735 48.3 172.9 -84.5 137.3 -4.4 19.0 -48.6 28 259 A G E -BC 13 37A 0 9,-2.9 9,-2.8 -2,-0.4 2,-0.4 -0.884 31.1-126.5-140.4 173.8 -4.9 19.3 -52.4 29 260 A V E -BC 12 36A 23 -17,-1.8 -17,-2.6 -2,-0.3 2,-1.3 -0.986 12.6-142.6-128.4 122.5 -7.6 20.0 -55.0 30 261 A W E >>> -BC 11 35A 5 5,-3.4 5,-1.8 -2,-0.4 3,-1.3 -0.739 22.2-155.7 -81.6 100.0 -8.3 17.7 -57.8 31 262 A K G >45S+ 0 0 111 -21,-1.5 3,-1.1 -2,-1.3 -1,-0.2 0.853 83.7 64.0 -44.7 -52.7 -8.9 20.5 -60.4 32 263 A K G 345S+ 0 0 101 -22,-0.4 -1,-0.3 1,-0.3 -21,-0.1 0.827 121.5 22.1 -44.9 -39.2 -11.1 18.5 -62.8 33 264 A Y G <45S- 0 0 68 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.330 98.7-123.4-114.5 6.8 -13.7 18.2 -60.0 34 265 A S T <<5 + 0 0 105 -3,-1.1 2,-0.5 -4,-0.8 -3,-0.2 0.876 62.3 156.9 50.9 36.1 -12.8 21.1 -57.8 35 266 A L E < -C 30 0A 39 -5,-1.8 -5,-3.4 0, 0.0 2,-0.3 -0.834 45.3-132.7-102.0 126.1 -12.6 18.3 -55.2 36 267 A T E +C 29 0A 52 -2,-0.5 50,-0.7 -7,-0.2 2,-0.3 -0.584 38.6 169.5 -73.3 128.9 -10.5 18.6 -52.0 37 268 A V E -CD 28 85A 0 -9,-2.8 -9,-2.9 -2,-0.3 2,-0.4 -0.860 37.5-107.8-135.3 170.4 -8.4 15.5 -51.6 38 269 A A E -CD 27 84A 12 46,-3.0 46,-2.4 -2,-0.3 2,-0.5 -0.863 31.6-161.1-100.9 135.3 -5.6 14.2 -49.4 39 270 A V E -CD 26 83A 0 -13,-2.8 -13,-2.5 -2,-0.4 2,-0.7 -0.961 4.8-164.7-122.0 115.0 -2.2 13.9 -51.3 40 271 A K E -CD 25 82A 23 42,-3.1 42,-2.8 -2,-0.5 2,-0.9 -0.887 6.5-157.5-102.4 118.4 0.5 11.8 -49.9 41 272 A T E -CD 24 81A 18 -17,-2.5 -17,-1.5 -2,-0.7 40,-0.2 -0.834 20.5-141.2 -93.8 104.1 3.9 12.5 -51.5 42 273 A L E -C 23 0A 6 38,-2.1 -19,-0.3 -2,-0.9 3,-0.1 -0.257 18.2-104.4 -66.5 153.0 5.9 9.3 -50.9 43 274 A K - 0 0 107 -21,-2.1 37,-0.2 1,-0.2 -1,-0.1 -0.303 53.0 -78.3 -70.0 158.7 9.6 9.4 -50.0 44 275 A E + 0 0 169 35,-0.1 2,-0.3 34,-0.1 -1,-0.2 -0.401 68.3 174.5 -59.2 134.1 12.1 8.5 -52.8 45 276 A D - 0 0 56 2,-0.1 112,-0.0 -3,-0.1 -1,-0.0 -0.886 42.7-134.3-142.3 171.2 12.1 4.7 -53.0 46 277 A T + 0 0 120 -2,-0.3 3,-0.1 2,-0.1 111,-0.1 0.457 56.4 130.2-106.6 -4.8 13.4 1.7 -54.9 47 278 A M - 0 0 16 1,-0.1 -2,-0.1 109,-0.1 111,-0.0 -0.221 68.5 -99.4 -56.4 137.9 10.3 -0.4 -55.4 48 279 A E > - 0 0 121 1,-0.1 4,-2.6 4,-0.1 5,-0.1 -0.302 22.7-134.3 -57.6 135.5 9.6 -1.5 -58.9 49 280 A V H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 106.6 52.3 -60.1 -39.6 7.0 0.6 -60.7 50 281 A E H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 111.1 46.3 -63.4 -41.3 5.2 -2.5 -62.0 51 282 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.890 111.2 53.4 -67.9 -40.6 5.0 -3.9 -58.5 52 283 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.956 111.5 44.3 -58.3 -53.3 3.8 -0.6 -57.1 53 284 A L H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.844 110.2 53.9 -63.0 -38.2 1.0 -0.3 -59.6 54 285 A K H X S+ 0 0 129 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.898 113.0 45.1 -62.9 -39.0 -0.2 -4.0 -59.2 55 286 A E H X S+ 0 0 42 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.920 112.3 50.8 -69.4 -44.8 -0.4 -3.3 -55.5 56 287 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.859 103.9 59.4 -61.9 -35.1 -2.2 0.0 -56.0 57 288 A A H X S+ 0 0 23 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.903 104.7 50.1 -60.6 -40.7 -4.7 -1.7 -58.4 58 289 A V H >< S+ 0 0 72 -4,-1.3 3,-1.2 -3,-0.3 4,-0.2 0.950 110.5 49.4 -61.5 -49.3 -5.7 -4.0 -55.5 59 290 A M H >< S+ 0 0 11 -4,-1.9 3,-1.8 1,-0.3 11,-0.4 0.830 101.7 63.4 -59.1 -34.3 -6.2 -1.0 -53.2 60 291 A K H 3< S+ 0 0 19 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.783 99.1 55.4 -63.4 -25.6 -8.3 0.7 -55.8 61 292 A E T << S+ 0 0 113 -3,-1.2 2,-1.2 -4,-0.8 -1,-0.3 0.460 77.9 106.9 -87.4 -0.1 -10.8 -2.1 -55.5 62 293 A I < + 0 0 5 -3,-1.8 2,-0.5 -4,-0.2 8,-0.4 -0.681 45.9 163.7 -81.1 99.6 -11.2 -1.5 -51.7 63 294 A K + 0 0 34 -2,-1.2 811,-0.3 6,-0.1 812,-0.1 -0.941 8.3 132.8-126.4 110.2 -14.6 0.1 -51.7 64 295 A H > - 0 0 5 -2,-0.5 3,-1.5 3,-0.4 811,-0.1 -0.986 61.8-114.3-152.5 150.8 -16.5 0.3 -48.4 65 296 A P T 3 S+ 0 0 3 0, 0.0 813,-0.1 0, 0.0 810,-0.1 0.661 117.1 42.1 -64.7 -13.5 -18.4 3.0 -46.5 66 297 A N T 3 S+ 0 0 13 49,-0.1 82,-2.7 81,-0.1 2,-0.4 0.098 97.3 84.7-121.2 23.9 -15.8 2.9 -43.7 67 298 A L B < S-f 148 0B 0 -3,-1.5 -3,-0.4 80,-0.3 2,-0.3 -0.993 82.6-116.0-126.3 127.4 -12.5 2.7 -45.7 68 299 A V - 0 0 4 80,-2.6 83,-0.2 -2,-0.4 2,-0.2 -0.453 40.1-123.4 -63.9 121.8 -10.8 5.8 -47.1 69 300 A Q - 0 0 14 -2,-0.3 16,-2.0 806,-0.1 2,-0.6 -0.414 6.1-129.8 -74.7 139.6 -10.9 5.5 -50.8 70 301 A L E + E 0 84A 11 -11,-0.4 14,-0.3 -8,-0.4 3,-0.1 -0.764 26.7 180.0 -82.6 123.7 -7.9 5.5 -53.1 71 302 A L E - 0 0 10 12,-3.1 2,-0.3 -2,-0.6 13,-0.2 0.803 54.0 -45.5 -96.0 -35.2 -8.7 8.1 -55.8 72 303 A G E - E 0 83A 0 11,-1.9 11,-3.3 920,-0.1 -1,-0.3 -0.989 43.3-123.1-179.0 177.1 -5.6 7.9 -57.8 73 304 A V E -aE 5 82A 2 -69,-2.2 -67,-2.9 -2,-0.3 2,-0.7 -0.998 14.3-138.9-141.8 142.9 -1.8 7.9 -58.0 74 305 A C E +aE 6 81A 2 7,-1.9 7,-1.7 -2,-0.3 -67,-0.2 -0.911 37.2 154.7-101.5 112.4 0.7 10.1 -59.8 75 306 A T + 0 0 17 -69,-0.7 -1,-0.1 -2,-0.7 -68,-0.1 0.494 45.6 88.8-119.3 -5.4 3.4 7.8 -61.2 76 307 A R S S+ 0 0 184 -70,-0.5 -1,-0.1 1,-0.2 -69,-0.1 0.873 98.3 39.8 -60.1 -34.9 4.9 9.5 -64.2 77 308 A E S S- 0 0 112 2,-0.1 -1,-0.2 4,-0.0 -3,-0.1 -0.949 97.6-109.2-121.3 114.7 7.4 11.1 -61.9 78 309 A P S S+ 0 0 89 0, 0.0 2,-0.1 0, 0.0 -34,-0.1 -0.566 96.4 59.7 -79.4 148.1 9.0 9.2 -59.0 79 310 A P S S- 0 0 31 0, 0.0 -35,-0.1 0, 0.0 -2,-0.1 0.525 95.7-131.4 -72.3 146.3 8.6 9.4 -56.0 80 311 A F - 0 0 19 -37,-0.2 -38,-2.1 -2,-0.1 2,-0.4 -0.173 9.1-136.4 -69.2 157.5 4.9 8.6 -56.5 81 312 A Y E -DE 41 74A 36 -7,-1.7 -7,-1.9 -40,-0.2 2,-0.5 -0.912 8.9-151.0-113.3 141.9 1.9 10.5 -55.1 82 313 A I E -DE 40 73A 13 -42,-2.8 -42,-3.1 -2,-0.4 2,-0.6 -0.969 8.7-158.8-116.7 120.6 -1.1 8.8 -53.6 83 314 A I E +DE 39 72A 0 -11,-3.3 -12,-3.1 -2,-0.5 -11,-1.9 -0.891 20.0 166.6-103.6 120.1 -4.4 10.6 -53.8 84 315 A T E -DE 38 70A 27 -46,-2.4 -46,-3.0 -2,-0.6 -14,-0.2 -0.835 44.0 -76.9-128.2 165.8 -7.1 9.6 -51.3 85 316 A E E -D 37 0A 34 -16,-2.0 2,-0.4 -2,-0.3 -48,-0.2 -0.337 51.9-115.5 -62.9 138.2 -10.5 11.0 -50.1 86 317 A F - 0 0 49 -50,-0.7 2,-0.7 -58,-0.1 -1,-0.1 -0.641 20.9-152.9 -80.6 127.4 -10.1 13.9 -47.7 87 318 A M > - 0 0 21 -2,-0.4 3,-1.5 1,-0.1 53,-0.2 -0.893 6.6-150.4-103.5 111.2 -11.4 13.4 -44.2 88 319 A T T 3 S+ 0 0 86 -2,-0.7 53,-0.2 1,-0.2 -1,-0.1 0.659 86.8 48.2 -54.9 -26.9 -12.4 16.7 -42.6 89 320 A Y T 3 S- 0 0 123 51,-3.0 -1,-0.2 1,-0.3 52,-0.2 0.256 97.9-133.6-105.6 18.3 -11.7 15.9 -38.9 90 321 A G < - 0 0 36 -3,-1.5 50,-3.0 50,-0.3 -1,-0.3 -0.109 52.5 -13.5 68.8-166.7 -8.2 14.5 -39.1 91 322 A N B > -G 139 0B 43 48,-0.2 4,-1.9 1,-0.1 48,-0.3 -0.321 59.6-123.6 -72.3 152.4 -6.9 11.4 -37.4 92 323 A L H > S+ 0 0 0 46,-3.0 4,-2.8 43,-0.9 5,-0.2 0.780 104.4 61.8 -65.3 -32.7 -8.8 9.6 -34.6 93 324 A L H > S+ 0 0 24 42,-0.7 4,-1.9 45,-0.3 -1,-0.2 0.952 111.1 37.2 -60.7 -53.6 -6.0 9.8 -32.0 94 325 A D H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 114.3 58.7 -66.1 -39.9 -5.9 13.6 -32.0 95 326 A Y H X S+ 0 0 31 -4,-1.9 4,-1.1 1,-0.2 3,-0.3 0.942 109.4 42.6 -54.0 -51.4 -9.7 13.7 -32.3 96 327 A L H < S+ 0 0 1 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.869 112.1 54.0 -65.2 -37.7 -10.1 11.7 -29.2 97 328 A R H < S+ 0 0 122 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 119.6 33.0 -67.5 -27.0 -7.5 13.6 -27.2 98 329 A E H < S+ 0 0 152 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.437 96.6 111.1-110.3 -0.3 -9.1 17.0 -28.0 99 330 A C S < S- 0 0 28 -4,-1.1 2,-0.9 -3,-0.3 -3,-0.1 -0.147 76.1-104.6 -75.8 168.8 -12.8 16.0 -28.1 100 331 A N >> - 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0 0 33 -3,-2.1 -1,-0.2 -4,-0.2 2,-0.1 -0.840 66.8-125.0 -99.1 127.2 -24.5 0.8 -85.8 1042 444 D D >> - 0 0 102 -2,-0.5 3,-2.2 1,-0.1 4,-0.6 -0.430 17.6-123.3 -69.7 141.0 -21.5 0.8 -83.5 1043 445 D L H >> S+ 0 0 32 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.848 110.1 64.6 -49.8 -38.4 -21.9 2.5 -80.1 1044 446 D S H 34 S+ 0 0 88 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.714 103.5 45.7 -60.7 -23.5 -18.9 4.7 -81.0 1045 447 D Q H <> S+ 0 0 93 -3,-2.2 4,-2.1 1,-0.1 -1,-0.2 0.504 86.8 90.3-101.0 -4.1 -20.7 6.3 -83.9 1046 448 D V H S+ 0 0 73 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.901 111.6 49.4 -53.6 -46.8 -21.9 11.7 -84.3 1049 451 D L H <>S+ 0 0 48 -4,-2.1 5,-3.0 1,-0.2 3,-0.2 0.927 112.0 49.0 -60.2 -44.0 -24.9 10.4 -86.2 1050 452 D L H ><5S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.908 107.5 53.1 -63.7 -42.9 -27.2 12.1 -83.7 1051 453 D E H 3<5S+ 0 0 79 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 106.8 53.5 -63.6 -28.3 -25.5 15.5 -84.0 1052 454 D K T 3<5S- 0 0 122 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.116 127.1-102.9 -91.9 20.2 -25.8 15.3 -87.8 1053 455 D D T < 5 + 0 0 119 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.587 68.2 152.9 70.8 16.8 -29.6 14.8 -87.2 1054 456 D Y < + 0 0 90 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.558 15.7 174.1 -74.8 142.6 -29.7 11.0 -87.9 1055 457 D R - 0 0 27 -2,-0.2 16,-0.0 0, 0.0 -5,-0.0 -0.983 40.0 -90.5-144.5 148.8 -32.6 9.3 -86.0 1056 458 D M - 0 0 4 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.316 49.6-116.2 -58.5 142.3 -33.9 5.7 -86.2 1057 459 D E - 0 0 154 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.332 41.6 -75.8 -78.5 164.2 -36.5 5.3 -88.8 1058 460 D R - 0 0 117 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.395 54.4-124.1 -59.5 124.3 -40.1 4.3 -88.1 1059 461 D P > - 0 0 12 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.374 37.0 -82.5 -72.2 154.3 -40.3 0.6 -87.2 1060 462 D E T 3 S+ 0 0 191 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.274 115.5 12.1 -56.3 133.0 -42.6 -1.7 -89.2 1061 463 D G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 -29,-0.0 0.269 91.2 135.7 83.6 -12.8 -46.1 -1.6 -87.9 1062 464 D C < - 0 0 7 -3,-2.1 -1,-0.3 1,-0.1 -4,-0.0 -0.539 59.0-117.8 -73.6 125.9 -45.5 1.4 -85.7 1063 465 D P > - 0 0 69 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.312 17.5-122.4 -62.7 145.1 -48.3 4.0 -86.0 1064 466 D E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.831 110.3 56.7 -55.1 -37.5 -47.3 7.4 -87.4 1065 467 D K H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.874 108.3 45.8 -65.2 -38.6 -48.6 9.1 -84.2 1066 468 D V H > S+ 0 0 11 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.903 111.6 51.5 -71.6 -40.3 -46.3 7.1 -81.9 1067 469 D Y H X S+ 0 0 44 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.878 106.0 56.7 -62.8 -35.9 -43.4 7.6 -84.2 1068 470 D E H X S+ 0 0 108 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.951 108.3 46.4 -57.5 -50.0 -44.1 11.3 -84.1 1069 471 D L H X S+ 0 0 24 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.894 108.9 56.0 -58.7 -43.1 -43.8 11.1 -80.3 1070 472 D M H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.946 110.2 44.3 -52.5 -53.9 -40.6 9.2 -80.6 1071 473 D R H < S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 109.7 55.4 -63.7 -32.2 -39.1 11.9 -82.8 1072 474 D A H >< S+ 0 0 29 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.874 106.1 52.7 -68.2 -36.4 -40.3 14.6 -80.4 1073 475 D C H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 106.1 55.8 -68.0 -26.5 -38.6 12.8 -77.6 1074 476 D W T 3< S+ 0 0 1 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.052 73.3 139.6 -97.1 26.1 -35.4 12.9 -79.7 1075 477 D Q < - 0 0 79 -3,-1.2 6,-0.1 1,-0.1 5,-0.1 -0.470 54.6-134.3 -66.5 138.8 -35.3 16.6 -80.2 1076 478 D W S S+ 0 0 101 -2,-0.1 -69,-0.2 1,-0.1 -1,-0.1 0.963 93.2 65.7 -60.7 -53.3 -31.7 17.9 -79.9 1077 479 D N S >> S- 0 0 72 1,-0.2 3,-1.7 2,-0.1 4,-0.5 -0.611 80.0-148.6 -73.4 115.8 -32.5 20.8 -77.7 1078 480 D P G >4 S+ 0 0 28 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.877 93.7 58.3 -52.3 -45.0 -33.8 19.3 -74.4 1079 481 D S G 34 S+ 0 0 87 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.647 100.1 60.7 -63.7 -12.6 -36.3 22.1 -73.6 1080 482 D D G <4 S+ 0 0 97 -3,-1.7 -1,-0.3 -5,-0.1 -4,-0.1 0.676 83.7 98.5 -85.9 -19.5 -37.9 21.4 -76.9 1081 483 D R S << S- 0 0 4 -3,-1.8 -8,-0.2 -4,-0.5 -9,-0.1 -0.402 84.2-105.1 -68.5 144.4 -38.8 17.8 -75.9 1082 484 D P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.146 34.7-109.0 -64.2 163.8 -42.4 17.3 -74.6 1083 485 D S > - 0 0 25 1,-0.1 4,-2.4 -63,-0.0 5,-0.2 -0.537 24.3-114.5 -89.5 162.8 -43.0 16.8 -70.9 1084 486 D F H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -134,-0.3 0.807 119.0 61.6 -67.7 -24.0 -44.0 13.4 -69.6 1085 487 D A H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 108.4 42.0 -64.8 -42.2 -47.4 15.0 -68.7 1086 488 D E H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.906 112.7 52.8 -71.0 -42.0 -47.9 15.7 -72.4 1087 489 D I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.923 110.2 48.9 -58.8 -45.7 -46.6 12.3 -73.5 1088 490 D H H X S+ 0 0 39 -4,-2.5 4,-3.1 -142,-0.3 5,-0.2 0.914 109.8 50.4 -61.7 -44.0 -49.0 10.6 -71.2 1089 491 D Q H X S+ 0 0 112 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.834 110.4 51.7 -64.5 -31.2 -52.0 12.7 -72.4 1090 492 D A H X S+ 0 0 31 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.901 115.0 40.6 -72.0 -40.3 -51.0 11.8 -75.9 1091 493 D F H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.865 109.9 57.3 -75.5 -37.8 -50.9 8.0 -75.2 1092 494 D E H X S+ 0 0 66 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.944 108.9 48.9 -56.5 -46.3 -54.0 8.0 -72.9 1093 495 D T H X S+ 0 0 56 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.869 113.8 45.3 -60.7 -41.4 -55.9 9.5 -75.9 1094 496 D M H X S+ 0 0 17 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.923 112.7 47.9 -70.9 -46.8 -54.5 6.9 -78.3 1095 497 D F H X S+ 0 0 49 -4,-3.1 4,-1.4 -156,-0.2 -2,-0.2 0.875 109.8 58.2 -60.8 -37.5 -55.1 3.8 -76.1 1096 498 D Q H >< S+ 0 0 113 -4,-2.1 3,-0.9 -5,-0.3 -2,-0.2 0.983 114.4 31.4 -55.4 -67.4 -58.6 5.1 -75.5 1097 499 D E H >< S+ 0 0 119 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.778 112.2 66.1 -65.2 -27.4 -59.8 5.2 -79.1 1098 500 D S H 3< S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 96.6 56.6 -63.0 -31.3 -57.6 2.3 -79.9 1099 501 D S T << 0 0 65 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.166 360.0 360.0 -86.2 18.2 -59.8 0.2 -77.6 1100 502 D I < 0 0 175 -3,-1.7 -2,-0.2 -5,-0.0 -1,-0.1 0.779 360.0 360.0-111.5 360.0 -62.9 1.2 -79.6 1101 !* 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 1102 105 E E 0 0 206 0, 0.0 -888,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 128.2 8.1 7.1 -29.2 1103 106 E I + 0 0 67 -931,-0.1 -930,-0.4 -932,-0.1 -931,-0.4 0.886 360.0 59.5 -83.5 -43.7 6.0 4.8 -31.5 1104 107 E F + 0 0 51 -933,-0.2 2,-0.3 -932,-0.1 -890,-0.1 -0.632 57.1 157.3 -93.7 148.0 8.9 3.0 -33.3 1105 108 E G E -I 170 0C 13 -935,-1.9 -935,-2.6 -2,-0.3 2,-0.3 -0.964 39.7-105.2-156.6 161.9 11.6 0.9 -31.7 1106 109 E E E -I 169 0C 96 -2,-0.3 2,-0.4 -937,-0.2 -937,-0.2 -0.749 31.3-166.4 -96.7 144.5 13.9 -1.8 -32.8 1107 110 E F E -I 168 0C 27 -939,-2.8 -939,-2.4 -2,-0.3 2,-0.6 -0.992 9.8-161.6-134.8 128.4 13.3 -5.4 -31.8 1108 111 E E 0 0 136 -2,-0.4 -927,-0.1 -941,-0.3 -942,-0.0 -0.937 360.0 360.0-110.0 116.1 15.7 -8.4 -32.0 1109 112 E A 0 0 102 -2,-0.6 -1,-0.2 -929,-0.2 -928,-0.1 0.991 360.0 360.0 -62.7 360.0 14.0 -11.7 -31.8 1110 !* 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 1111 104 F E 0 0 141 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.7 27.7 34.0 -43.6 1112 105 F E - 0 0 68 1,-0.1 -624,-0.1 2,-0.0 3,-0.0 -0.492 360.0-164.6 -72.3 138.7 29.2 35.5 -40.5 1113 106 F I + 0 0 58 -2,-0.2 -667,-0.5 -667,-0.1 -666,-0.4 0.813 68.3 64.6 -91.0 -37.2 26.8 37.8 -38.5 1114 107 F F E +R 445 0F 63 -669,-0.2 2,-0.3 -668,-0.1 -626,-0.1 -0.640 53.5 151.3 -95.1 148.8 29.4 39.5 -36.3 1115 108 F G E -R 444 0F 13 -671,-1.7 -671,-2.7 -2,-0.3 2,-0.3 -0.961 41.2-111.8-163.8 153.2 32.3 41.7 -37.3 1116 109 F E E -R 443 0F 94 -2,-0.3 2,-0.4 -673,-0.3 -673,-0.3 -0.712 35.6-169.9 -92.5 147.8 34.2 44.6 -35.7 1117 110 F F E -R 442 0F 28 -675,-3.0 -675,-1.6 -2,-0.3 2,-0.4 -0.998 18.3-177.1-144.0 139.1 33.7 48.0 -37.2 1118 111 F E - 0 0 127 -2,-0.4 2,-0.2 -677,-0.2 -663,-0.1 -0.998 29.4-127.5-131.8 126.0 35.4 51.4 -36.8 1119 112 F A 0 0 33 -2,-0.4 -678,-0.1 -664,-0.3 -2,-0.0 -0.494 360.0 360.0 -74.2 142.9 34.0 54.4 -38.6 1120 113 F K 0 0 155 -2,-0.2 -1,-0.1 0, 0.0 -665,-0.0 0.967 360.0 360.0 -73.2 360.0 36.4 56.4 -40.7 1121 !* 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 1122 105 G E 0 0 216 0, 0.0 -362,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 149.8 2.1 3.1 -5.1 1123 106 G I + 0 0 67 -405,-0.1 -405,-0.4 1,-0.1 -404,-0.4 0.806 360.0 65.9 -97.7 -39.4 4.3 0.7 -3.2 1124 107 G F + 0 0 56 -407,-0.2 2,-0.3 -406,-0.1 -364,-0.1 -0.683 52.8 151.1 -95.7 140.7 1.7 -1.1 -1.2 1125 108 G G E -A 716 0I 17 -409,-1.9 -409,-2.5 -2,-0.3 2,-0.3 -0.963 40.5-110.1-154.4 161.3 -1.1 -3.3 -2.3 1126 109 G E E -A 715 0I 92 -2,-0.3 2,-0.4 -411,-0.2 -411,-0.3 -0.733 32.3-162.5 -98.5 149.2 -3.0 -6.3 -0.9 1127 110 G F E A 714 0I 40 -413,-3.0 -413,-1.2 -2,-0.3 -366,-0.0 -0.988 360.0 360.0-141.6 135.7 -2.6 -9.8 -2.3 1128 111 G E 0 0 91 -2,-0.4 -415,-0.1 -415,-0.2 -401,-0.1 -0.884 360.0 360.0-150.8 360.0 -4.5 -13.0 -2.2 1129 !* 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 1130 104 H E 0 0 135 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.4 -24.4 -6.5 -78.4 1131 105 H E - 0 0 161 1,-0.1 -88,-0.1 2,-0.0 3,-0.0 -0.447 360.0-161.9 -70.6 137.2 -22.7 -4.5 -75.6 1132 106 H I + 0 0 59 -2,-0.2 -131,-0.6 -131,-0.1 -130,-0.4 0.844 66.9 68.8 -86.7 -39.4 -24.7 -1.8 -74.0 1133 107 H F E +J 1000 0L 64 -133,-0.2 2,-0.3 -132,-0.1 -90,-0.1 -0.636 54.7 161.9 -92.2 140.9 -22.0 0.3 -72.4 1134 108 H G E -J 999 0L 10 -135,-2.3 -135,-2.6 -2,-0.3 2,-0.3 -0.980 37.2-108.3-149.1 157.4 -19.4 2.3 -74.1 1135 109 H E E -J 998 0L 81 -2,-0.3 2,-0.4 -137,-0.2 -137,-0.2 -0.676 33.0-178.2 -88.7 141.6 -17.0 5.1 -73.2 1136 110 H F E J 997 0L 49 -139,-2.4 -139,-1.9 -2,-0.3 -2,-0.0 -0.976 360.0 360.0-142.9 128.2 -17.6 8.6 -74.6 1137 111 H E 0 0 167 -2,-0.4 -141,-0.3 -141,-0.3 -1,-0.1 0.940 360.0 360.0 -92.8 360.0 -15.5 11.7 -74.1