==== 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 TRANSFERASE 20-APR-06 2GQG . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.E.KLEI . 555 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 3 1 0 1 2 2 1 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 6 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 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 1 223 A G > 0 0 75 0, 0.0 3,-3.4 0, 0.0 6,-0.5 0.000 360.0 360.0 360.0 98.2 46.9 109.4 52.4 2 224 A A T 3 + 0 0 33 1,-0.3 9,-0.4 4,-0.1 5,-0.0 0.816 360.0 61.7 -47.7 -35.5 49.2 106.5 51.7 3 225 A M T 3 S+ 0 0 60 7,-0.1 -1,-0.3 3,-0.0 13,-0.1 0.514 90.5 88.2 -71.7 -5.1 47.0 105.7 48.7 4 226 A D S X S- 0 0 87 -3,-3.4 3,-1.1 1,-0.1 6,-0.1 -0.795 79.7-132.7-100.3 138.5 47.8 109.2 47.2 5 227 A P T 3 S+ 0 0 101 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.794 107.9 59.0 -55.2 -30.6 50.8 109.8 45.0 6 228 A S T 3 S+ 0 0 117 -5,-0.1 -4,-0.1 3,-0.1 4,-0.0 0.846 88.2 100.8 -67.3 -34.1 51.7 112.9 47.0 7 229 A S S < S- 0 0 19 -3,-1.1 3,-0.4 -6,-0.5 -5,-0.1 -0.013 71.8-140.2 -52.5 153.3 52.0 110.7 50.1 8 230 A P S S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.658 105.5 54.4 -87.7 -19.8 55.4 109.6 51.4 9 231 A N S S+ 0 0 126 -5,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.171 81.6 136.6 -97.2 15.8 54.0 106.1 52.2 10 232 A Y - 0 0 108 -3,-0.4 2,-0.4 -5,-0.1 -7,-0.1 -0.433 29.2-178.8 -69.2 135.9 52.8 105.8 48.6 11 233 A D > - 0 0 60 -9,-0.4 3,-1.8 -2,-0.2 -2,-0.0 -0.968 22.8-150.9-137.6 117.0 53.3 102.4 46.9 12 234 A K T 3 S+ 0 0 148 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.705 97.9 56.7 -62.5 -19.3 52.3 101.8 43.3 13 235 A W T 3 S+ 0 0 49 68,-0.1 69,-2.9 2,-0.1 2,-0.5 0.589 85.1 95.2 -88.4 -9.2 51.7 98.1 44.0 14 236 A E B < -a 82 0A 31 -3,-1.8 2,-0.3 67,-0.2 69,-0.2 -0.694 60.6-170.3 -81.1 124.6 49.2 98.8 46.8 15 237 A M - 0 0 17 67,-2.1 2,-0.3 -2,-0.5 69,-0.1 -0.894 32.6 -90.5-121.8 153.3 45.7 98.7 45.5 16 238 A E > - 0 0 65 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.388 30.0-147.9 -59.5 117.0 42.4 99.6 46.9 17 239 A R G > S+ 0 0 36 1,-0.3 3,-1.6 -2,-0.3 -1,-0.2 0.849 97.9 58.5 -54.8 -38.1 41.0 96.5 48.6 18 240 A T G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.330 89.7 75.2 -77.0 9.9 37.4 97.6 47.8 19 241 A D G < S+ 0 0 45 -3,-2.2 21,-0.8 21,-0.1 22,-0.5 0.524 90.8 67.4 -94.8 -8.3 38.4 97.6 44.1 20 242 A I E < -B 39 0A 15 -3,-1.6 2,-0.5 -4,-0.2 19,-0.2 -0.898 67.5-151.8-117.5 143.1 38.3 93.8 44.1 21 243 A T E -B 38 0A 58 17,-1.9 17,-1.5 -2,-0.4 2,-1.0 -0.943 14.5-139.6-112.8 130.7 35.4 91.4 44.5 22 244 A M E +B 37 0A 60 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.767 35.1 160.7 -95.0 99.2 36.0 87.9 46.0 23 245 A K E + 0 0 112 13,-1.5 14,-0.1 -2,-1.0 -1,-0.1 0.484 50.5 1.8 -85.9-132.2 33.9 85.4 44.1 24 246 A H E S- 0 0 142 11,-0.1 12,-2.6 1,-0.1 -1,-0.3 -0.274 72.2-123.1 -59.5 137.8 34.4 81.6 43.9 25 247 A K E -B 35 0A 120 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.601 23.2-172.8 -80.4 144.4 37.2 80.2 46.1 26 248 A L + 0 0 73 8,-2.8 9,-0.2 -2,-0.2 -1,-0.1 0.656 46.6 109.7-111.4 -21.5 39.8 78.2 44.1 27 249 A G + 0 0 18 7,-1.7 2,-0.8 1,-0.2 3,-0.2 0.740 19.5 117.6 -19.9-118.1 42.0 76.7 46.8 28 250 A G S S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 5,-0.1 0.216 77.4 62.5 62.5 -20.9 41.6 72.9 47.3 29 251 A G S S- 0 0 61 -2,-0.8 -1,-0.2 3,-0.3 -2,-0.1 0.453 102.7 -89.2-101.8-121.0 45.3 72.6 46.4 30 252 A Q S S+ 0 0 181 -3,-0.2 3,-0.1 2,-0.0 -2,-0.1 0.447 94.2 95.5-138.5 -13.1 48.4 73.9 48.0 31 253 A Y S S- 0 0 70 1,-0.2 2,-0.3 -4,-0.2 -4,-0.0 0.768 95.6-115.1 -53.8 -24.5 49.1 77.3 46.5 32 254 A G - 0 0 22 2,-0.1 2,-2.3 17,-0.1 -3,-0.3 -0.826 64.3 -13.2 122.0-162.0 47.2 78.6 49.6 33 255 A E E S+ C 0 50A 36 17,-0.7 17,-1.9 -2,-0.3 2,-0.4 -0.484 78.0 176.5 -76.5 75.4 44.0 80.5 50.1 34 256 A V E - C 0 49A 23 -2,-2.3 -8,-2.8 15,-0.2 -7,-1.7 -0.699 6.6-172.6 -88.9 131.7 43.5 81.3 46.4 35 257 A Y E -BC 25 48A 70 13,-3.8 13,-2.6 -2,-0.4 2,-0.3 -0.861 22.4-129.9-121.3 156.4 40.4 83.1 45.3 36 258 A E E + C 0 47A 47 -12,-2.6 -13,-1.5 -2,-0.3 2,-0.3 -0.781 44.6 155.2 -97.6 146.9 38.9 84.1 41.9 37 259 A G E -BC 22 46A 0 9,-2.1 9,-2.9 -2,-0.3 2,-0.4 -0.933 38.3-110.5-159.6-176.7 37.9 87.7 41.7 38 260 A V E -BC 21 45A 17 -17,-1.5 -17,-1.9 -2,-0.3 2,-1.3 -0.993 11.0-146.9-132.8 133.2 37.1 90.9 39.7 39 261 A W E >>> -BC 20 44A 49 5,-3.0 3,-3.4 -2,-0.4 5,-1.2 -0.690 21.0-163.9 -95.8 78.6 39.0 94.1 39.6 40 262 A K G >45S+ 0 0 112 -2,-1.3 3,-1.0 -21,-0.8 -1,-0.2 0.752 78.6 77.0 -31.0 -47.1 35.9 96.3 39.1 41 263 A K G 345S+ 0 0 134 -22,-0.5 -1,-0.3 1,-0.3 -21,-0.1 0.790 124.2 6.7 -39.9 -32.4 37.9 99.3 37.9 42 264 A Y G <45S- 0 0 153 -3,-3.4 -1,-0.3 2,-0.1 -2,-0.3 0.189 98.8-116.8-137.7 15.0 38.1 97.3 34.7 43 265 A S T <<5 + 0 0 99 -3,-1.0 2,-0.5 -4,-0.6 -3,-0.2 0.820 63.2 159.0 49.6 30.6 35.8 94.3 35.2 44 266 A L E < -C 39 0A 74 -5,-1.2 -5,-3.0 1,-0.0 -1,-0.2 -0.758 43.0-124.2 -91.2 123.8 39.0 92.3 34.8 45 267 A T E -C 38 0A 52 -2,-0.5 50,-0.7 -7,-0.2 2,-0.3 -0.396 38.4-178.1 -64.9 139.5 39.0 88.8 36.3 46 268 A V E -CD 37 94A 0 -9,-2.9 -9,-2.1 48,-0.2 2,-0.4 -0.962 28.4-124.0-142.6 159.2 41.9 88.3 38.8 47 269 A A E -CD 36 93A 15 46,-2.7 46,-2.3 -2,-0.3 2,-0.4 -0.817 27.2-164.4-101.2 142.7 43.5 85.7 41.0 48 270 A V E -CD 35 92A 1 -13,-2.6 -13,-3.8 -2,-0.4 2,-0.5 -0.995 8.3-160.8-132.7 132.0 43.9 86.5 44.7 49 271 A K E -CD 34 91A 47 42,-1.9 42,-0.9 -2,-0.4 -15,-0.2 -0.949 15.7-160.3-113.4 128.6 46.1 84.8 47.3 50 272 A T E -CD 33 90A 17 -17,-1.9 -17,-0.7 -2,-0.5 2,-0.4 -0.630 7.6-141.3-106.9 164.0 45.2 85.3 51.0 51 273 A L - 0 0 10 38,-0.8 2,-0.1 -2,-0.2 38,-0.1 -0.964 15.9-155.3-125.3 142.8 47.2 84.9 54.3 52 274 A K - 0 0 122 -2,-0.4 4,-0.5 36,-0.1 37,-0.1 -0.394 31.6 -85.8-107.5-174.4 45.9 83.5 57.6 53 275 A E S S- 0 0 194 -2,-0.1 3,-0.3 2,-0.1 -1,-0.1 0.972 112.9 -0.1 -53.6 -88.7 46.7 83.8 61.3 54 276 A D S S+ 0 0 137 1,-0.2 2,-0.1 3,-0.0 -2,-0.0 0.998 105.1 96.2 -66.6 -73.2 49.4 81.2 62.1 55 277 A T S S- 0 0 68 -4,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.226 99.5 -14.5 19.1 -69.7 49.9 79.7 58.6 56 278 A M S S- 0 0 48 -4,-0.5 5,-0.0 -3,-0.3 -1,-0.0 -0.994 71.4 -98.6-157.5 148.7 52.9 81.9 57.7 57 279 A E >> - 0 0 124 -2,-0.3 4,-2.0 1,-0.1 3,-0.7 -0.333 33.2-124.1 -65.2 147.1 54.7 85.1 58.8 58 280 A V H 3> S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.854 111.8 56.8 -61.5 -36.6 53.9 88.2 56.8 59 281 A E H 34 S+ 0 0 124 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.773 110.1 46.5 -65.6 -25.7 57.5 88.8 55.9 60 282 A E H <> S+ 0 0 84 -3,-0.7 4,-0.6 2,-0.2 -2,-0.2 0.845 111.8 49.3 -83.6 -38.5 57.5 85.3 54.3 61 283 A F H >X S+ 0 0 3 -4,-2.0 3,-0.7 1,-0.2 4,-0.5 0.911 111.2 48.0 -67.6 -44.8 54.2 85.8 52.5 62 284 A L H 3X S+ 0 0 49 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.647 90.8 83.8 -72.5 -15.3 55.2 89.1 50.9 63 285 A K H 3> S+ 0 0 73 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.909 88.7 52.4 -53.2 -45.7 58.5 87.7 49.8 64 286 A E H < S+ 0 0 52 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.919 110.2 46.6 -53.0 -45.5 58.7 91.4 46.3 67 289 A V H >< S+ 0 0 16 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.919 109.3 54.0 -63.5 -43.7 60.2 89.0 43.7 68 290 A M H 3< S+ 0 0 8 -4,-2.2 3,-0.5 1,-0.3 11,-0.4 0.681 96.0 66.9 -68.4 -16.5 57.3 89.5 41.3 69 291 A K T << S+ 0 0 63 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.675 103.8 46.3 -76.3 -16.4 57.7 93.3 41.3 70 292 A E S < S+ 0 0 134 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.2 0.427 103.7 65.7-107.9 1.3 61.1 92.9 39.6 71 293 A I + 0 0 9 -3,-0.5 2,-0.3 -4,-0.3 61,-0.0 -0.939 51.1 174.2-124.9 146.8 60.2 90.4 36.8 72 294 A K + 0 0 155 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.905 15.4 141.3-153.4 119.8 58.0 90.8 33.8 73 295 A H > - 0 0 32 3,-0.4 3,-2.5 -2,-0.3 55,-0.1 -0.963 55.3-120.3-159.8 140.4 57.5 88.3 31.0 74 296 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.767 117.7 48.3 -57.2 -20.3 54.5 87.1 29.0 75 297 A N T 3 S+ 0 0 18 49,-0.1 82,-2.7 81,-0.1 2,-0.4 0.149 97.3 81.5-106.0 19.1 55.2 83.6 30.3 76 298 A L B < S-f 157 0B 2 -3,-2.5 -3,-0.4 80,-0.3 82,-0.2 -0.991 94.5-104.3-122.0 127.7 55.6 84.6 34.0 77 299 A V - 0 0 10 80,-2.6 2,-0.3 -2,-0.4 -2,-0.1 -0.320 46.1-126.7 -51.9 123.0 52.4 85.0 36.0 78 300 A Q - 0 0 41 -4,-0.1 16,-1.7 -6,-0.1 2,-0.3 -0.601 7.9-130.8 -85.8 132.8 52.1 88.8 36.3 79 301 A L E + E 0 93A 3 -11,-0.4 14,-0.3 -2,-0.3 3,-0.1 -0.574 24.4 176.1 -76.1 136.7 51.7 90.7 39.6 80 302 A L E - 0 0 44 12,-3.2 2,-0.3 1,-0.4 13,-0.2 0.605 56.7 -52.2-113.8 -24.0 48.8 93.2 39.6 81 303 A G E - E 0 92A 0 11,-1.7 11,-2.8 -66,-0.1 -1,-0.4 -0.949 43.6-115.0 166.1 175.1 48.9 94.4 43.2 82 304 A V E -aE 14 91A 3 -69,-2.9 -67,-2.1 -2,-0.3 2,-0.5 -0.951 9.2-145.0-136.9 156.6 49.0 93.8 46.9 83 305 A C E + E 0 90A 3 7,-2.3 7,-1.2 -2,-0.3 2,-0.1 -0.865 36.6 147.6-126.4 97.4 46.8 94.4 49.9 84 306 A T + 0 0 37 -2,-0.5 2,-1.4 5,-0.2 6,-0.0 -0.184 39.7 64.4-106.8-158.0 48.7 95.1 53.1 85 307 A R S S+ 0 0 157 -2,-0.1 4,-0.1 4,-0.0 -2,-0.0 -0.627 97.5 45.3 84.0 -90.6 47.8 97.4 56.0 86 308 A E S S- 0 0 99 -2,-1.4 -3,-0.0 2,-0.1 0, 0.0 -0.097 104.0 -61.3 -79.5 179.9 44.7 95.8 57.5 87 309 A P S S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.437 108.4 33.3 -44.4-165.3 44.0 92.0 58.3 88 310 A P S S- 0 0 70 0, 0.0 -36,-0.1 0, 0.0 -2,-0.1 0.612 81.2-145.3 5.6 89.5 44.0 89.3 55.6 89 311 A F - 0 0 35 -38,-0.1 -38,-0.8 -37,-0.1 2,-0.3 -0.392 12.5-149.2 -71.6 149.2 46.6 90.5 53.1 90 312 A Y E -DE 50 83A 36 -7,-1.2 -7,-2.3 -40,-0.2 2,-0.4 -0.822 15.6-160.0-119.7 158.8 46.1 89.8 49.4 91 313 A I E -DE 49 82A 4 -42,-0.9 -42,-1.9 -2,-0.3 2,-0.4 -0.949 21.7-160.8-136.8 110.9 48.4 89.2 46.5 92 314 A I E +DE 48 81A 0 -11,-2.8 -12,-3.2 -2,-0.4 -11,-1.7 -0.835 18.2 159.4-102.4 131.4 46.6 89.9 43.2 93 315 A T E -DE 47 79A 21 -46,-2.3 -46,-2.7 -2,-0.4 -14,-0.2 -0.835 48.6 -69.9-137.8 175.5 47.7 88.6 39.8 94 316 A E E -D 46 0A 42 -16,-1.7 2,-0.5 -2,-0.3 -48,-0.2 -0.314 57.1-112.5 -63.4 154.7 46.3 87.9 36.4 95 317 A F - 0 0 48 -50,-0.7 2,-0.8 -49,-0.1 -1,-0.1 -0.824 18.1-148.9 -98.4 126.1 43.9 85.0 36.4 96 318 A M > - 0 0 14 -2,-0.5 3,-1.2 1,-0.1 53,-0.2 -0.841 10.4-150.4 -95.5 111.9 44.8 81.8 34.5 97 319 A T T 3 S+ 0 0 70 -2,-0.8 53,-0.2 1,-0.2 -1,-0.1 0.802 86.3 42.2 -50.7 -42.0 41.6 80.2 33.3 98 320 A Y T 3 S- 0 0 122 51,-2.3 -1,-0.2 1,-0.2 52,-0.2 0.413 96.5-135.9 -95.0 4.7 42.6 76.6 33.3 99 321 A G E < -G 149 0B 32 -3,-1.2 50,-2.4 50,-0.5 -1,-0.2 -0.249 57.4 -0.3 76.8-167.8 44.5 76.2 36.6 100 322 A N E > -G 148 0B 38 48,-0.2 4,-1.6 1,-0.1 48,-0.3 -0.220 63.0-126.5 -62.4 142.8 47.8 74.3 37.1 101 323 A L H > S+ 0 0 0 46,-2.4 4,-2.9 43,-0.5 5,-0.2 0.845 103.3 62.1 -55.9 -39.9 49.5 72.6 34.2 102 324 A L H > S+ 0 0 20 42,-1.4 4,-1.5 45,-0.3 -1,-0.2 0.938 109.6 38.3 -56.3 -52.3 49.7 69.2 36.0 103 325 A D H > S+ 0 0 62 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.803 113.4 59.5 -69.4 -27.6 45.9 68.7 36.3 104 326 A Y H >X S+ 0 0 27 -4,-1.6 4,-1.4 2,-0.2 3,-0.8 0.954 105.4 46.9 -64.1 -49.9 45.5 70.2 32.9 105 327 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 113.0 50.4 -60.2 -35.7 47.6 67.5 31.3 106 328 A R H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.654 119.8 34.4 -77.5 -16.7 45.8 64.8 33.2 107 329 A E H << S+ 0 0 151 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.429 94.3 114.3-117.3 -2.3 42.3 66.1 32.2 108 330 A C S < S- 0 0 28 -4,-1.4 2,-1.0 -5,-0.1 -3,-0.0 -0.104 77.1-103.7 -71.6 166.3 42.9 67.4 28.7 109 331 A N >> - 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0 0 6 -3,-2.0 -1,-0.2 -4,-0.2 5,-0.1 -0.613 60.7-117.6 -81.9 128.6 60.5 54.4 43.1 222 444 A D > - 0 0 26 -2,-0.4 3,-1.5 1,-0.1 4,-0.5 -0.351 18.2-132.3 -60.3 132.9 61.1 54.9 46.8 223 445 A L G >> S+ 0 0 84 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.749 103.1 59.6 -60.4 -28.5 62.2 58.4 47.7 224 446 A S G 34 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.641 107.3 47.0 -78.6 -11.0 65.1 57.3 49.8 225 447 A Q G <> S+ 0 0 34 -3,-1.5 4,-1.7 2,-0.1 -1,-0.2 0.450 88.6 87.3-106.1 -2.8 66.7 55.4 46.9 226 448 A V H <> S+ 0 0 1 -3,-0.5 4,-2.7 -4,-0.5 5,-0.2 0.955 88.1 46.8 -62.0 -53.2 66.3 58.2 44.3 227 449 A Y H X S+ 0 0 61 -4,-0.5 4,-2.0 1,-0.2 5,-0.2 0.952 113.5 46.5 -55.3 -55.6 69.6 60.0 45.0 228 450 A E H > S+ 0 0 67 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.845 112.2 52.7 -58.9 -34.2 71.8 56.9 45.0 229 451 A L H ><>S+ 0 0 6 -4,-1.7 5,-2.2 2,-0.2 3,-1.0 0.965 108.3 49.5 -63.8 -50.4 70.1 55.7 41.8 230 452 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.812 109.4 53.5 -57.1 -31.0 70.9 59.0 40.2 231 453 A E H 3<5S+ 0 0 96 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.771 103.6 55.1 -76.0 -25.6 74.5 58.6 41.4 232 454 A K T <<5S- 0 0 67 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.192 127.0-102.2 -90.1 15.6 74.6 55.2 39.7 233 455 A D T < 5S+ 0 0 108 -3,-1.0 2,-0.2 1,-0.2 -3,-0.2 0.621 70.1 151.5 75.0 17.5 73.6 56.9 36.5 234 456 A Y < + 0 0 5 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.560 15.7 172.4 -78.6 143.9 69.9 55.9 36.4 235 457 A R - 0 0 14 -2,-0.2 16,-0.0 0, 0.0 -5,-0.0 -0.990 39.9 -85.5-148.9 149.5 67.5 58.3 34.7 236 458 A M - 0 0 0 -2,-0.3 2,-0.1 1,-0.1 -28,-0.0 -0.189 50.7-113.2 -55.5 147.2 63.9 58.1 33.7 237 459 A E - 0 0 46 1,-0.1 -1,-0.1 0, 0.0 267,-0.0 -0.337 39.0 -80.9 -80.3 163.7 63.1 56.4 30.4 238 460 A R - 0 0 106 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.477 50.6-121.0 -66.6 122.6 61.8 58.1 27.3 239 461 A P > - 0 0 9 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.263 39.9 -85.0 -63.0 152.3 58.0 58.5 27.6 240 462 A E T 3 S+ 0 0 191 1,-0.3 0, 0.0 -28,-0.0 0, 0.0 -0.356 115.8 11.9 -59.7 133.8 55.9 56.8 24.9 241 463 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.1 -29,-0.0 0.475 91.1 139.6 78.4 1.4 55.5 59.0 21.8 242 464 A C < - 0 0 6 -3,-2.1 -1,-0.2 1,-0.1 5,-0.1 -0.713 58.5-115.7 -84.0 120.5 58.2 61.4 23.0 243 465 A P > - 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.198 17.8-127.7 -52.0 139.8 60.5 62.5 20.2 244 466 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.822 109.0 55.3 -62.9 -32.3 64.1 61.4 20.6 245 467 A K H > S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.905 109.2 47.3 -67.1 -41.3 65.5 64.9 20.2 246 468 A V H > S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.898 113.5 48.5 -66.3 -39.0 63.2 66.1 23.0 247 469 A Y H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.877 106.0 55.7 -68.6 -38.1 64.4 63.2 25.1 248 470 A E H X S+ 0 0 109 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.787 105.9 54.9 -64.0 -24.5 68.0 63.8 24.4 249 471 A L H X S+ 0 0 15 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.864 105.1 51.3 -75.3 -36.5 67.2 67.3 25.7 250 472 A M H X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.924 109.2 51.1 -63.4 -45.9 65.9 65.8 29.0 251 473 A R H < S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 107.4 51.7 -61.3 -38.8 69.1 63.7 29.4 252 474 A A H >< S+ 0 0 32 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.892 107.6 53.8 -66.0 -38.0 71.3 66.8 28.9 253 475 A C H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.8 52.6 -64.6 -27.7 69.2 68.5 31.6 254 476 A W T 3< S+ 0 0 2 -4,-1.3 2,-0.3 -5,-0.1 -1,-0.3 0.014 73.6 140.5 -98.8 27.0 70.0 65.6 33.9 255 477 A Q < - 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0 0 9 19,-2.7 -1,-0.0 -2,-0.6 -2,-0.0 -0.323 9.6-132.9 -71.0 156.9 65.8 27.4 28.9 453 396 B H - 0 0 160 -2,-0.0 -1,-0.1 1,-0.0 18,-0.0 0.026 36.9-119.4 -99.2 26.4 64.9 27.0 25.3 454 397 B A S S+ 0 0 82 1,-0.2 3,-0.1 17,-0.2 -2,-0.0 0.692 87.6 117.5 44.4 20.0 63.2 30.3 25.1 455 398 B G S S+ 0 0 76 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.566 75.8 40.2 -87.4 -9.8 60.2 28.3 24.2 456 399 B A S S- 0 0 49 -15,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.979 79.7-135.1-137.9 148.2 58.6 29.6 27.4 457 400 B K - 0 0 160 -2,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 -0.500 11.9-139.7-101.0 171.7 58.5 33.0 29.1 458 401 B F - 0 0 13 -2,-0.2 2,-0.3 10,-0.0 5,-0.1 -0.994 26.4-103.0-137.7 138.7 59.0 34.1 32.6 459 402 B P >> - 0 0 40 0, 0.0 3,-1.3 0, 0.0 4,-0.8 -0.385 32.4-146.7 -58.6 114.8 57.4 36.7 34.9 460 403 B I G >4 S+ 0 0 53 -2,-0.3 3,-0.7 1,-0.2 8,-0.1 0.858 90.9 55.3 -53.5 -44.9 59.9 39.6 35.0 461 404 B K G 34 S+ 0 0 26 1,-0.2 -1,-0.2 35,-0.1 36,-0.1 0.598 114.1 40.3 -71.5 -8.5 59.2 40.8 38.5 462 405 B W G <4 S+ 0 0 34 -3,-1.3 2,-0.4 2,-0.1 -1,-0.2 0.431 96.3 97.7-113.9 -5.2 59.9 37.3 40.0 463 406 B T S << S- 0 0 12 -4,-0.8 5,-0.1 -3,-0.7 15,-0.1 -0.726 75.4-115.2 -96.6 132.3 62.9 36.3 37.9 464 407 B A >> - 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0 0 21 -2,-0.3 4,-1.3 -25,-0.2 3,-0.6 -0.898 59.7 -84.7-154.6-178.9 69.5 27.4 39.0 475 418 B I H 3> S+ 0 0 23 -27,-0.4 4,-1.6 -2,-0.3 5,-0.1 0.826 126.4 61.4 -65.4 -27.8 68.5 26.8 42.6 476 419 B K H 3> S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.819 100.3 51.1 -68.1 -31.3 69.9 30.3 43.2 477 420 B S H <> S+ 0 0 6 -3,-0.6 4,-1.9 2,-0.2 -13,-0.3 0.802 107.7 53.0 -77.1 -26.1 67.3 31.9 40.9 478 421 B D H X S+ 0 0 4 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.846 105.6 56.0 -72.1 -32.4 64.6 30.1 42.8 479 422 B V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.925 105.5 50.8 -64.4 -41.6 66.0 31.6 45.9 480 423 B W H X S+ 0 0 1 -4,-1.6 4,-1.4 1,-0.2 3,-0.4 0.954 110.6 47.6 -59.2 -50.6 65.6 35.1 44.4 481 424 B A H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.849 106.6 59.0 -60.4 -32.8 62.0 34.4 43.5 482 425 B F H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.905 101.6 54.5 -63.0 -39.5 61.5 33.1 47.0 483 426 B G H X S+ 0 0 0 -4,-1.8 4,-1.6 -3,-0.4 -1,-0.2 0.861 109.2 47.4 -61.1 -35.4 62.6 36.5 48.3 484 427 B V H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.892 110.1 52.4 -71.9 -40.0 59.9 38.1 46.1 485 428 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.905 105.7 55.0 -60.8 -42.3 57.3 35.5 47.4 486 429 B L H X S+ 0 0 5 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.938 107.4 50.4 -55.3 -47.2 58.3 36.5 50.9 487 430 B W H X S+ 0 0 14 -4,-1.6 4,-1.6 1,-0.2 7,-0.3 0.888 108.4 51.4 -59.4 -41.0 57.5 40.1 50.0 488 431 B E H <>S+ 0 0 1 -4,-2.0 5,-3.3 2,-0.2 6,-0.4 0.890 112.2 47.9 -62.9 -40.0 54.1 39.1 48.6 489 432 B I H ><5S+ 0 0 4 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.946 110.4 50.4 -65.4 -49.0 53.4 37.3 51.9 490 433 B A H 3<5S+ 0 0 24 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.758 113.9 45.3 -61.8 -27.0 54.5 40.2 54.0 491 434 B T T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.273 113.7-113.5-100.8 9.8 52.3 42.7 52.1 492 435 B Y T < 5S- 0 0 34 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.857 83.7 -36.6 61.5 35.7 49.2 40.4 52.1 493 436 B G S S- 0 0 2 1,-0.2 3,-2.0 2,-0.1 2,-0.1 0.927 93.4-146.4 42.6 57.2 57.5 46.8 42.5 498 441 B P T 3 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.306 74.1 8.0 -57.8 123.4 54.1 48.5 42.6 499 442 B G T 3 S+ 0 0 59 1,-0.3 2,-0.5 -3,-0.2 -278,-0.2 0.333 97.9 122.9 88.9 -7.0 53.8 51.3 40.0 500 443 B I < - 0 0 8 -3,-2.0 -1,-0.3 -280,-0.2 2,-0.1 -0.771 64.9-119.2 -94.3 129.9 57.2 50.5 38.3 501 444 B D >> - 0 0 90 -2,-0.5 3,-2.4 -282,-0.2 4,-0.6 -0.417 17.5-127.2 -67.2 136.3 57.1 49.7 34.6 502 445 B L H >> S+ 0 0 89 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.858 107.0 64.0 -49.8 -43.1 58.4 46.3 33.6 503 446 B S H 34 S+ 0 0 80 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.632 103.8 50.0 -60.3 -12.4 60.9 47.7 31.2 504 447 B Q H <> S+ 0 0 20 -3,-2.4 4,-3.0 2,-0.1 -1,-0.3 0.618 86.1 85.9-102.3 -14.0 62.7 49.4 34.1 505 448 B V H S+ 0 0 62 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.930 113.9 45.3 -50.6 -51.4 67.8 48.4 34.9 508 451 B L H ><>S+ 0 0 1 -4,-3.0 5,-2.3 1,-0.2 3,-0.8 0.946 112.1 49.8 -60.6 -50.3 66.8 49.3 38.4 509 452 B L H ><5S+ 0 0 2 -4,-3.4 3,-1.6 1,-0.3 -1,-0.2 0.874 107.6 55.1 -58.1 -37.9 68.0 46.0 39.9 510 453 B E H 3<5S+ 0 0 98 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.804 104.2 54.3 -66.1 -27.7 71.3 46.4 38.2 511 454 B K T <<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.195 127.0-101.8 -89.7 14.1 71.7 49.9 39.8 512 455 B D T < 5 + 0 0 82 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.559 69.0 154.1 78.4 11.7 71.1 48.2 43.2 513 456 B Y < + 0 0 8 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.480 15.9 175.5 -69.5 142.6 67.5 49.2 43.6 514 457 B R - 0 0 12 -2,-0.1 16,-0.0 0, 0.0 -289,-0.0 -0.988 37.7 -97.1-149.4 139.3 65.6 46.8 45.9 515 458 B M - 0 0 5 -2,-0.3 2,-0.1 1,-0.1 -294,-0.0 -0.215 48.5-120.8 -52.5 147.2 62.0 46.9 47.2 516 459 B E - 0 0 91 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.417 37.6 -69.5 -91.7 168.3 61.9 48.3 50.8 517 460 B R - 0 0 124 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.328 53.9-122.2 -57.7 125.3 60.7 46.8 54.0 518 461 B P > - 0 0 13 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.444 40.6 -87.3 -68.7 142.8 56.9 46.4 53.9 519 462 B E T 3 S+ 0 0 200 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.306 117.3 16.4 -54.0 122.7 55.1 48.2 56.8 520 463 B G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 -29,-0.0 0.309 90.1 133.4 96.8 -7.9 55.0 45.8 59.7 521 464 B C < - 0 0 9 -3,-2.7 -1,-0.3 1,-0.1 5,-0.1 -0.662 59.9-114.4 -82.5 119.7 57.7 43.4 58.4 522 465 B P >> - 0 0 72 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.180 19.2-118.6 -56.5 140.0 60.3 42.5 61.0 523 466 B E H 3> S+ 0 0 150 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.877 112.1 49.3 -40.0 -58.0 63.9 43.5 60.6 524 467 B K H 3> S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 109.9 51.2 -57.8 -38.0 65.3 40.0 60.5 525 468 B V H <> S+ 0 0 11 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.867 109.1 50.4 -69.0 -36.4 62.7 38.9 57.9 526 469 B Y H X S+ 0 0 34 -4,-2.1 4,-2.4 -3,-0.2 -2,-0.2 0.894 104.6 59.1 -67.8 -37.8 63.5 41.8 55.6 527 470 B E H X S+ 0 0 89 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 104.5 49.5 -56.7 -43.4 67.2 40.9 55.9 528 471 B L H X S+ 0 0 15 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.910 107.4 55.6 -62.7 -42.2 66.5 37.5 54.5 529 472 B M H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.945 110.2 45.2 -53.5 -50.8 64.6 39.1 51.6 530 473 B R H < S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.3 53.3 -64.1 -35.2 67.7 41.2 50.8 531 474 B A H >< S+ 0 0 29 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.890 106.5 53.6 -67.8 -36.9 70.0 38.2 51.1 532 475 B C H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.2 54.2 -65.3 -28.1 67.7 36.4 48.6 533 476 B W T 3< S+ 0 0 1 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.002 72.3 141.5 -97.4 28.6 68.1 39.4 46.2 534 477 B Q < - 0 0 83 -3,-1.3 6,-0.1 1,-0.1 -3,-0.1 -0.475 54.7-132.1 -66.3 141.5 71.9 39.5 46.1 535 478 B W S S+ 0 0 85 -2,-0.1 -69,-0.3 1,-0.1 -1,-0.1 0.943 95.1 62.0 -61.8 -47.7 73.0 40.4 42.6 536 479 B N S > S- 0 0 74 1,-0.2 3,-2.5 -71,-0.1 4,-0.4 -0.709 81.7-144.9 -81.9 116.5 75.6 37.6 42.4 537 480 B P G > S+ 0 0 38 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.817 97.4 63.3 -51.3 -32.2 73.7 34.3 42.8 538 481 B S G 3 S+ 0 0 88 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.721 96.7 59.5 -68.5 -16.2 76.6 32.8 44.7 539 482 B D G < S+ 0 0 100 -3,-2.5 -1,-0.3 2,-0.1 -4,-0.1 0.546 86.1 97.9 -86.3 -7.8 76.0 35.4 47.4 540 483 B R S < S- 0 0 5 -3,-1.6 -8,-0.2 -4,-0.4 -9,-0.1 -0.535 80.4-110.5 -81.5 148.3 72.5 34.3 48.0 541 484 B P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.339 32.5-112.2 -72.7 158.1 71.7 31.9 50.9 542 485 B S > - 0 0 24 1,-0.1 4,-2.2 -2,-0.0 5,-0.1 -0.424 28.1-108.5 -83.7 165.9 70.7 28.3 50.2 543 486 B F H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 -134,-0.3 0.823 120.9 58.0 -65.5 -28.3 67.2 27.1 51.0 544 487 B A H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.948 108.2 45.0 -64.4 -47.9 68.6 25.1 53.9 545 488 B E H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.877 115.1 48.9 -62.9 -38.6 70.1 28.3 55.4 546 489 B I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.950 111.6 47.5 -67.6 -48.4 66.9 30.1 54.8 547 490 B H H X S+ 0 0 19 -4,-3.2 4,-2.1 -142,-0.3 -2,-0.2 0.903 112.1 50.8 -59.6 -40.1 64.7 27.4 56.3 548 491 B Q H X S+ 0 0 104 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.890 106.8 55.2 -63.7 -38.2 67.1 27.2 59.3 549 492 B A H X S+ 0 0 16 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.857 108.9 47.4 -63.1 -35.9 66.8 31.0 59.7 550 493 B F H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.883 112.0 48.0 -74.6 -38.7 63.0 30.7 59.9 551 494 B E H < S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.0 53.5 -66.5 -41.7 63.0 27.9 62.5 552 495 B T H < S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.847 103.6 58.3 -61.0 -35.0 65.5 29.8 64.6 553 496 B M H < S+ 0 0 30 -4,-1.2 2,-1.9 -5,-0.2 -1,-0.2 0.942 81.3 87.4 -61.7 -49.3 63.2 32.8 64.6 554 497 B F < + 0 0 71 -4,-1.5 -1,-0.1 1,-0.2 -4,-0.0 -0.293 47.4 119.3 -56.6 84.6 60.3 30.9 66.1 555 498 B Q 0 0 163 -2,-1.9 -1,-0.2 0, 0.0 -2,-0.1 -0.108 360.0 360.0-137.4 25.8 61.4 31.6 69.7 556 499 B E 0 0 169 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.952 360.0 360.0 -76.1 360.0 58.2 33.5 70.5