==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-OCT-12 4BDD . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.SILVA-SANTISTEBAN,I.M.WESTWOOD,K.BOXALL,N.BROWN,S.PEACOC . 281 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 32.4 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 4 1 0 0 2 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 1 1 1 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 . 1 0 1 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 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 1 209 A M 0 0 165 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.5 -57.2 37.0 20.5 2 210 A S - 0 0 104 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.954 360.0-133.8-168.7 165.6 -54.5 39.8 20.2 3 211 A V - 0 0 127 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.921 23.2-111.9-129.4 158.3 -53.4 42.9 18.1 4 212 A Y - 0 0 63 -2,-0.3 -2,-0.0 1,-0.1 10,-0.0 -0.599 49.3 -90.4 -83.4 149.0 -50.1 44.2 16.6 5 213 A P >> - 0 0 29 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.302 30.1-120.7 -64.6 144.5 -48.6 47.4 18.2 6 214 A K H 3> S+ 0 0 171 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.835 111.5 58.1 -48.5 -43.0 -49.7 50.7 16.6 7 215 A A H 3> S+ 0 0 56 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.809 109.7 43.0 -60.7 -37.1 -46.0 51.6 15.7 8 216 A L H X> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 3,-1.5 0.968 114.1 50.3 -70.8 -55.6 -45.6 48.4 13.6 9 217 A R H 3< S+ 0 0 136 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.757 102.8 63.2 -53.2 -32.2 -49.0 48.8 12.0 10 218 A D H 3< S+ 0 0 125 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.858 119.2 22.9 -61.6 -39.1 -48.0 52.5 11.2 11 219 A E H << S+ 0 0 70 -3,-1.5 16,-2.6 -4,-0.7 17,-0.4 0.632 123.4 47.1-100.9 -27.6 -45.1 51.2 8.9 12 220 A Y E < -A 26 0A 4 -4,-2.6 2,-0.6 14,-0.2 14,-0.2 -0.923 58.8-144.4-126.5 151.7 -46.1 47.7 7.9 13 221 A I E -A 25 0A 83 12,-2.0 12,-1.8 -2,-0.3 2,-0.1 -0.969 34.8-138.8-109.0 106.0 -49.2 45.7 6.6 14 222 A M E +A 24 0A 36 -2,-0.6 10,-0.2 10,-0.2 2,-0.2 -0.364 30.1 165.0 -70.8 149.1 -49.0 42.2 8.3 15 223 A S E - 0 0 50 8,-2.6 -1,-0.1 1,-0.3 9,-0.0 -0.591 34.9 -19.7-141.4-161.7 -49.8 39.0 6.3 16 224 A K E S- 0 0 66 -2,-0.2 7,-3.2 6,-0.2 -1,-0.3 0.080 73.7 -80.8 -51.6 157.9 -49.5 35.1 6.4 17 225 A T E A 22 0A 81 5,-0.2 5,-0.3 1,-0.1 -1,-0.1 -0.456 360.0 360.0 -68.6 131.3 -47.2 32.9 8.5 18 226 A L 0 0 133 3,-3.3 17,-0.1 -2,-0.2 -1,-0.1 -0.434 360.0 360.0 62.4 360.0 -43.5 32.6 7.1 19 ! 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 20 233 A E 0 0 128 0, 0.0 17,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.4 -42.8 32.9 15.1 21 234 A V E - B 0 36A 44 15,-0.2 -3,-3.3 13,-0.0 2,-0.3 -0.974 360.0-179.8-122.3 127.1 -42.3 34.4 11.5 22 235 A K E -AB 17 35A 45 13,-2.2 13,-3.5 -2,-0.4 -5,-0.2 -0.924 28.0-118.6-124.2 150.9 -44.9 36.4 9.4 23 236 A L E + B 0 34A 32 -7,-3.2 -8,-2.6 -2,-0.3 2,-0.3 -0.601 39.5 172.2 -80.8 142.4 -44.9 38.0 6.0 24 237 A A E -AB 14 33A 0 9,-1.9 9,-2.5 -10,-0.2 2,-0.5 -0.948 27.5-128.9-145.7 165.9 -45.4 41.8 6.0 25 238 A F E -AB 13 32A 69 -12,-1.8 -12,-2.0 -2,-0.3 2,-0.4 -0.984 20.1-129.2-122.1 126.4 -45.3 44.7 3.5 26 239 A E E >> -AB 12 31A 34 5,-2.5 4,-2.6 -2,-0.5 5,-0.5 -0.617 16.7-147.2 -71.5 124.0 -43.4 47.9 4.1 27 240 A R T 45S+ 0 0 126 -16,-2.6 -1,-0.2 -2,-0.4 -15,-0.1 0.823 94.0 54.7 -59.8 -38.8 -46.0 50.7 3.4 28 241 A K T 45S+ 0 0 134 -17,-0.4 -1,-0.2 1,-0.2 -16,-0.1 0.847 125.9 18.6 -64.8 -39.9 -43.3 53.1 2.1 29 242 A T T 45S- 0 0 70 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.566 88.6-131.7-110.6 -17.3 -41.9 50.7 -0.6 30 243 A C T <5 + 0 0 108 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.767 62.4 142.6 61.2 28.8 -44.7 48.1 -1.1 31 244 A K E < -B 26 0A 147 -5,-0.5 -5,-2.5 1,-0.0 -1,-0.3 -0.751 56.7-107.2-100.9 146.0 -41.9 45.6 -0.7 32 245 A K E +B 25 0A 98 -2,-0.3 44,-0.5 -7,-0.2 2,-0.3 -0.503 41.7 172.4 -74.8 137.6 -42.1 42.2 1.1 33 246 A V E -BC 24 75A 1 -9,-2.5 -9,-1.9 -2,-0.2 2,-0.4 -0.840 28.6-121.6-134.1 170.6 -40.4 41.8 4.5 34 247 A A E -BC 23 74A 9 40,-2.8 40,-3.2 -2,-0.3 2,-0.6 -0.979 17.9-155.6-120.4 131.7 -40.3 39.1 7.2 35 248 A I E -BC 22 73A 0 -13,-3.5 -13,-2.2 -2,-0.4 2,-0.6 -0.922 2.8-158.2-113.6 109.1 -41.4 39.9 10.8 36 249 A K E -BC 21 72A 28 36,-3.0 36,-2.5 -2,-0.6 2,-0.5 -0.767 9.2-157.4 -85.4 115.5 -40.0 37.7 13.6 37 250 A I E - C 0 71A 26 -17,-3.2 2,-0.4 -2,-0.6 34,-0.2 -0.886 9.2-172.3 -98.3 119.0 -42.2 37.8 16.7 38 251 A I E - C 0 70A 49 32,-2.6 32,-3.2 -2,-0.5 2,-0.1 -0.962 25.8-118.1-114.6 128.3 -40.5 36.9 20.1 39 252 A S E C 0 69A 81 -2,-0.4 30,-0.2 30,-0.2 29,-0.0 -0.417 360.0 360.0 -67.5 134.6 -42.5 36.4 23.3 40 253 A K 0 0 100 28,-0.6 -1,-0.1 -2,-0.1 29,-0.1 0.786 360.0 360.0 -82.3 360.0 -41.6 38.9 26.2 41 ! 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 42 269 A N > 0 0 149 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.2 -30.9 38.9 25.3 43 270 A V H > + 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 360.0 55.4 -64.3 -37.6 -33.0 40.0 22.3 44 271 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.844 107.1 49.2 -63.7 -36.7 -31.4 43.5 22.6 45 272 A T H > S+ 0 0 44 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.915 109.4 51.8 -67.8 -43.3 -27.9 41.9 22.4 46 273 A E H X S+ 0 0 23 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.867 111.1 47.9 -59.3 -40.4 -29.0 39.9 19.3 47 274 A I H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.916 112.5 48.8 -65.2 -47.1 -30.2 43.3 17.7 48 275 A E H X S+ 0 0 64 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.907 113.8 46.9 -59.7 -44.7 -26.9 45.0 18.7 49 276 A I H >X S+ 0 0 12 -4,-3.0 4,-1.4 1,-0.2 3,-0.7 0.969 114.6 46.3 -60.1 -57.3 -25.0 42.0 17.1 50 277 A L H 3< S+ 0 0 6 -4,-2.9 11,-0.2 1,-0.2 -2,-0.2 0.807 109.8 53.1 -56.3 -40.9 -27.1 42.0 13.9 51 278 A K H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 111.2 47.5 -65.6 -33.2 -26.9 45.8 13.4 52 279 A K H << S+ 0 0 82 -4,-1.3 2,-0.3 -3,-0.7 -2,-0.2 0.745 96.6 82.9 -79.9 -30.4 -23.1 45.7 13.6 53 280 A L < - 0 0 15 -4,-1.4 2,-0.3 6,-0.1 58,-0.0 -0.655 52.0-178.0 -84.1 135.2 -22.5 42.8 11.2 54 281 A N + 0 0 122 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.802 27.9 127.2-135.9 90.7 -22.5 43.4 7.4 55 282 A H > - 0 0 31 3,-0.4 3,-1.6 -2,-0.3 -2,-0.0 -0.993 59.8-126.4-141.7 144.2 -22.0 40.3 5.2 56 283 A P T 3 S+ 0 0 36 0, 0.0 4,-0.1 0, 0.0 51,-0.0 0.695 111.8 50.4 -66.3 -16.7 -24.1 38.9 2.3 57 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.3 46,-0.1 2,-0.4 0.183 98.1 77.9-106.4 15.5 -24.5 35.5 4.0 58 285 A I B < S-e 139 0B 2 -3,-1.6 -3,-0.4 80,-0.3 82,-0.2 -0.997 89.5-108.9-124.0 127.5 -25.7 37.0 7.4 59 286 A I - 0 0 3 80,-2.3 2,-0.4 -2,-0.4 -6,-0.1 -0.211 30.7-137.1 -54.2 135.9 -29.4 38.2 7.8 60 287 A K - 0 0 63 -4,-0.1 15,-1.2 -6,-0.1 2,-0.4 -0.842 6.2-133.9-103.2 134.7 -29.9 42.0 8.0 61 288 A I E -D 74 0A 30 -2,-0.4 13,-0.2 -11,-0.2 3,-0.1 -0.752 20.2-177.8 -85.2 128.7 -32.2 43.6 10.5 62 289 A K E - 0 0 113 11,-3.4 2,-0.3 -2,-0.4 12,-0.2 0.665 65.5 -13.0 -98.1 -30.6 -34.4 46.3 8.8 63 290 A N E -D 73 0A 48 10,-1.3 10,-3.0 2,-0.0 -1,-0.4 -0.957 57.5-145.8-169.1 158.6 -36.3 47.5 11.9 64 291 A F E -D 72 0A 59 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.999 4.7-167.0-141.9 140.2 -37.1 46.6 15.5 65 292 A F E -D 71 0A 23 6,-2.9 6,-2.9 -2,-0.3 2,-0.7 -0.992 4.4-165.9-130.0 122.2 -40.2 47.1 17.9 66 293 A D E +D 70 0A 116 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.859 45.1 115.9-110.3 91.0 -40.1 46.6 21.6 67 294 A A S S- 0 0 45 2,-2.2 3,-0.0 -2,-0.7 -2,-0.0 0.010 88.0 -31.5-122.5-132.7 -43.8 46.4 22.8 68 295 A E S S+ 0 0 167 -2,-0.1 -28,-0.6 -28,-0.1 2,-0.3 0.713 138.7 8.8 -66.1 -24.4 -45.9 43.6 24.4 69 296 A D E S-C 39 0A 41 -30,-0.2 -2,-2.2 -29,-0.1 2,-0.5 -0.823 96.5 -92.2-141.3 172.8 -43.6 41.2 22.4 70 297 A Y E -CD 38 66A 64 -32,-3.2 -32,-2.6 -2,-0.3 2,-0.5 -0.860 34.7-163.6 -97.3 129.9 -40.4 41.8 20.4 71 298 A Y E -CD 37 65A 9 -6,-2.9 -6,-2.9 -2,-0.5 2,-0.5 -0.979 4.5-171.3-116.5 119.7 -41.0 42.4 16.6 72 299 A I E -CD 36 64A 4 -36,-2.5 -36,-3.0 -2,-0.5 2,-0.5 -0.971 11.0-151.8-114.7 117.6 -37.9 42.1 14.4 73 300 A V E +CD 35 63A 0 -10,-3.0 -11,-3.4 -2,-0.5 -10,-1.3 -0.794 25.9 171.9 -91.3 121.2 -38.2 43.2 10.7 74 301 A L E -CD 34 61A 16 -40,-3.2 -40,-2.8 -2,-0.5 -13,-0.2 -0.851 41.8 -85.4-125.6 163.0 -35.8 41.2 8.5 75 302 A E E -C 33 0A 44 -15,-1.2 2,-0.2 -2,-0.3 -42,-0.2 -0.483 54.5-110.8 -68.4 132.9 -35.1 40.8 4.8 76 303 A L - 0 0 41 -44,-0.5 2,-0.6 -2,-0.2 -1,-0.1 -0.510 23.6-154.3 -70.5 138.4 -37.6 38.2 3.3 77 304 A M > - 0 0 21 -2,-0.2 3,-1.1 1,-0.1 51,-0.2 -0.943 4.7-167.6-117.8 101.0 -36.0 34.9 2.2 78 305 A E T 3 S+ 0 0 129 51,-1.1 52,-0.2 -2,-0.6 51,-0.2 0.674 82.8 59.1 -64.6 -21.7 -38.2 33.3 -0.5 79 306 A G T 3 S- 0 0 15 49,-2.0 -1,-0.2 1,-0.2 50,-0.2 0.631 92.7-156.9 -82.2 -17.0 -36.5 29.9 -0.4 80 307 A G E < -F 128 0B 25 -3,-1.1 48,-3.0 48,-0.7 -1,-0.2 -0.384 42.4 -6.5 75.6-152.2 -37.2 29.3 3.2 81 308 A E E -F 127 0B 60 46,-0.2 3,-0.5 1,-0.1 4,-0.4 -0.479 48.6-136.5 -80.9 149.1 -35.2 27.0 5.5 82 309 A L S >> S+ 0 0 0 44,-2.5 3,-1.3 41,-1.2 4,-0.7 0.790 104.3 71.6 -69.8 -28.1 -32.4 24.6 4.4 83 310 A F H >> S+ 0 0 68 40,-1.1 4,-1.8 43,-0.3 3,-1.1 0.870 90.1 57.4 -51.6 -45.4 -34.2 22.1 6.8 84 311 A D H 34 S+ 0 0 82 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.714 105.7 51.2 -61.6 -24.5 -37.1 21.8 4.3 85 312 A K H <4 S+ 0 0 86 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.604 119.0 34.7 -86.9 -17.7 -34.6 20.7 1.6 86 313 A V H << S+ 0 0 8 -3,-1.1 4,-0.3 -4,-0.7 3,-0.3 0.516 87.1 119.5-114.9 -12.9 -33.0 18.0 3.8 87 314 A V S >< S+ 0 0 59 -4,-1.8 3,-0.5 1,-0.2 109,-0.1 -0.304 74.3 15.5 -63.3 137.1 -35.9 16.6 5.8 88 315 A G T 3 S- 0 0 65 1,-0.2 -1,-0.2 -2,-0.0 3,-0.1 0.966 134.2 -52.0 63.3 61.9 -36.9 12.9 5.5 89 316 A N T 3 S+ 0 0 122 106,-0.7 -1,-0.2 -3,-0.3 2,-0.2 0.484 94.1 148.9 56.1 10.8 -33.8 11.4 3.8 90 317 A K < - 0 0 101 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.2 -0.520 28.9-162.4 -71.0 135.2 -34.0 14.1 1.0 91 318 A R - 0 0 95 -2,-0.2 2,-0.2 -3,-0.1 102,-0.1 -0.975 14.1-131.8-130.4 142.9 -30.5 14.9 -0.3 92 319 A L - 0 0 20 100,-1.4 2,-0.1 -2,-0.4 5,-0.0 -0.579 36.4-100.2 -85.0 148.2 -29.0 17.7 -2.3 93 320 A K >> - 0 0 125 -2,-0.2 3,-1.9 1,-0.1 4,-1.5 -0.486 40.5-109.0 -68.7 136.9 -26.7 17.1 -5.3 94 321 A E H 3> S+ 0 0 54 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.766 117.2 55.8 -34.1 -47.1 -23.0 17.5 -4.3 95 322 A A H 3> S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.820 107.5 49.0 -60.2 -36.2 -22.5 20.8 -6.3 96 323 A T H <> S+ 0 0 2 -3,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.874 108.3 53.9 -71.5 -40.1 -25.5 22.4 -4.4 97 324 A C H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.874 111.1 48.1 -58.4 -42.6 -24.0 21.2 -1.0 98 325 A K H X S+ 0 0 25 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.958 110.3 48.3 -64.4 -55.3 -20.7 23.0 -2.1 99 326 A L H X S+ 0 0 4 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.884 119.2 40.3 -52.8 -45.0 -22.3 26.3 -3.1 100 327 A Y H X S+ 0 0 3 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.898 116.8 48.3 -70.5 -47.2 -24.4 26.4 0.1 101 328 A F H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.876 106.2 57.2 -62.7 -42.5 -21.5 25.2 2.4 102 329 A Y H X S+ 0 0 25 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.924 109.9 45.5 -53.4 -47.6 -19.0 27.6 0.9 103 330 A Q H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.2 -1,-0.2 0.832 110.4 53.0 -66.1 -37.3 -21.3 30.5 1.9 104 331 A M H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.892 111.1 49.0 -64.8 -39.0 -21.9 29.0 5.4 105 332 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.914 112.1 46.2 -66.7 -46.1 -18.1 28.9 5.7 106 333 A L H X S+ 0 0 24 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 115.1 48.3 -61.5 -44.6 -17.7 32.6 4.5 107 334 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.933 115.6 42.8 -61.4 -50.2 -20.5 33.7 6.9 108 335 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.832 112.5 53.6 -67.5 -34.1 -19.0 31.8 9.9 109 336 A Q H X S+ 0 0 38 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.935 109.2 49.5 -65.7 -42.6 -15.5 33.0 9.1 110 337 A Y H X S+ 0 0 41 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.907 110.4 51.0 -58.9 -47.1 -16.8 36.6 9.1 111 338 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.924 112.6 44.5 -55.7 -52.9 -18.5 36.0 12.5 112 339 A H H ><5S+ 0 0 8 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.903 110.6 54.0 -62.5 -43.0 -15.2 34.6 14.1 113 340 A E H 3<5S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.847 112.1 47.0 -55.4 -38.3 -13.1 37.4 12.5 114 341 A N T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.215 123.0-105.6 -89.6 7.5 -15.6 39.8 14.2 115 342 A G T < 5S+ 0 0 19 -3,-1.8 33,-3.0 1,-0.2 2,-0.4 0.668 77.4 128.0 73.3 26.8 -15.5 38.0 17.6 116 343 A I E < -H 147 0C 12 -5,-2.7 2,-0.4 31,-0.2 -1,-0.2 -0.937 39.8-165.4-116.4 136.1 -19.0 36.4 17.4 117 344 A I E -H 146 0C 1 29,-2.0 29,-2.3 -2,-0.4 61,-0.1 -0.978 9.3-156.3-114.8 124.9 -19.8 32.6 17.9 118 345 A H - 0 0 0 -2,-0.4 26,-0.2 27,-0.2 -1,-0.1 0.943 12.7-171.7 -68.4 -50.9 -23.3 31.6 16.7 119 346 A R S S+ 0 0 134 59,-0.1 -1,-0.1 26,-0.1 26,-0.1 0.220 70.1 64.6 76.1 -9.7 -23.6 28.5 19.0 120 347 A D + 0 0 32 21,-0.2 2,-0.4 5,-0.1 5,-0.1 -0.232 60.2 157.7-137.4 46.8 -26.9 27.3 17.3 121 348 A L + 0 0 7 3,-0.1 67,-0.1 18,-0.0 20,-0.1 -0.644 18.0 138.5 -78.0 122.8 -26.0 26.4 13.6 122 349 A K > - 0 0 74 -2,-0.4 3,-1.9 65,-0.0 -40,-0.1 -0.947 68.9 -99.5-152.2 161.0 -28.6 24.0 12.2 123 350 A P G > S+ 0 0 12 0, 0.0 3,-1.3 0, 0.0 -41,-1.2 0.811 121.8 64.3 -58.1 -27.6 -30.4 23.6 8.8 124 351 A E G 3 S+ 0 0 64 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.674 103.1 47.9 -64.1 -24.9 -33.4 25.4 10.5 125 352 A N G < S+ 0 0 7 -3,-1.9 15,-2.7 -5,-0.1 2,-0.5 0.134 94.2 86.7-104.1 13.0 -31.2 28.6 10.9 126 353 A V E < - G 0 139B 0 -3,-1.3 -44,-2.5 13,-0.2 2,-0.4 -0.982 64.3-163.7-116.7 117.0 -29.9 28.6 7.3 127 354 A L E -FG 81 138B 30 11,-3.2 11,-2.5 -2,-0.5 2,-0.4 -0.882 11.2-140.2-107.8 141.5 -32.2 30.5 4.9 128 355 A L E -FG 80 137B 1 -48,-3.0 -49,-2.0 -2,-0.4 -48,-0.7 -0.824 8.8-142.8-100.6 133.1 -32.3 30.3 1.1 129 356 A S S S+ 0 0 38 7,-2.9 -51,-1.1 -2,-0.4 2,-0.3 0.751 77.8 18.5 -67.5 -26.4 -32.8 33.5 -0.9 130 357 A S S S- 0 0 40 2,-0.3 -51,-0.1 -52,-0.2 -1,-0.0 -0.932 75.2-110.5-142.6 166.6 -35.0 32.0 -3.7 131 358 A Q S S+ 0 0 100 -2,-0.3 2,-0.2 -53,-0.0 4,-0.1 0.460 92.4 99.7 -74.4 1.4 -37.1 28.9 -4.7 132 359 A E S S- 0 0 55 2,-0.1 -2,-0.3 1,-0.1 -53,-0.0 -0.582 80.5-127.3 -89.4 149.5 -34.2 28.1 -7.1 133 360 A E S S+ 0 0 94 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.884 101.8 58.2 -61.9 -47.4 -31.4 25.5 -6.4 134 361 A D S S+ 0 0 80 -35,-0.0 2,-0.3 -34,-0.0 -1,-0.1 -0.825 83.3 126.8 -90.9 106.1 -28.5 28.0 -7.1 135 362 A C - 0 0 1 -2,-0.8 2,-0.3 -4,-0.1 135,-0.1 -0.968 62.8 -87.8-152.9 168.1 -29.2 30.8 -4.6 136 363 A L - 0 0 4 -2,-0.3 -7,-2.9 134,-0.1 2,-0.3 -0.630 40.3-149.5 -81.6 138.9 -27.6 33.0 -1.9 137 364 A I E - G 0 128B 0 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.766 7.9-160.6-105.5 158.2 -27.9 31.6 1.6 138 365 A K E - G 0 127B 4 -11,-2.5 -11,-3.2 -2,-0.3 2,-0.3 -0.998 15.2-132.0-141.8 135.7 -28.1 33.6 4.9 139 366 A I E +eG 58 126B 0 -82,-2.3 -80,-2.3 -2,-0.4 -13,-0.2 -0.694 35.1 172.4 -83.2 135.3 -27.4 32.6 8.5 140 367 A T + 0 0 23 -15,-2.7 -15,-0.1 -2,-0.3 -80,-0.0 -0.736 37.3 65.8-132.9-178.5 -30.2 33.6 11.0 141 368 A D + 0 0 53 -2,-0.2 3,-0.4 1,-0.1 -21,-0.2 0.995 41.3 173.0 62.8 71.2 -31.2 33.1 14.7 142 369 A F > + 0 0 1 1,-0.2 3,-1.4 2,-0.1 -1,-0.1 0.219 44.6 112.4 -90.6 15.2 -28.4 34.8 16.7 143 370 A G T 3 S+ 0 0 13 1,-0.3 -1,-0.2 -23,-0.1 -97,-0.1 0.769 81.6 39.8 -56.4 -37.9 -30.3 34.4 20.0 144 371 A H T 3 S+ 0 0 100 -3,-0.4 -1,-0.3 -26,-0.2 -2,-0.1 0.319 90.6 127.6 -94.9 2.0 -27.7 31.9 21.4 145 372 A S < - 0 0 17 -3,-1.4 2,-0.3 -25,-0.1 -27,-0.2 -0.227 44.5-152.5 -66.5 149.4 -24.7 33.8 20.0 146 373 A K E -H 117 0C 29 -29,-2.3 -29,-2.0 0, 0.0 2,-0.5 -0.912 9.8-132.2-120.6 151.9 -21.8 34.9 22.3 147 374 A I E H 116 0C 116 -2,-0.3 -31,-0.2 -31,-0.2 -32,-0.1 -0.935 360.0 360.0-107.9 123.0 -19.4 37.8 22.1 148 375 A L 0 0 93 -33,-3.0 -32,-0.0 -2,-0.5 -1,-0.0 -0.289 360.0 360.0 -64.5 360.0 -15.6 37.0 22.6 149 ! 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 0.0 150 378 A T > 0 0 113 0, 0.0 4,-1.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 152.6 -11.9 37.8 29.2 151 379 A S H > + 0 0 81 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.796 360.0 57.5 -62.3 -34.1 -11.8 37.1 33.0 152 380 A L H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 103.4 51.1 -66.1 -45.7 -9.0 34.5 32.5 153 381 A M H > S+ 0 0 128 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.905 111.0 48.9 -57.2 -45.3 -6.6 37.0 30.9 154 382 A R H >< S+ 0 0 72 -4,-1.5 3,-0.6 1,-0.2 4,-0.4 0.853 111.8 49.6 -62.0 -39.1 -7.2 39.5 33.8 155 383 A T H >< S+ 0 0 63 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.858 104.8 58.5 -68.0 -39.6 -6.5 36.6 36.3 156 384 A L H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.601 91.5 71.3 -69.6 -11.5 -3.2 35.6 34.5 157 385 A C T << S+ 0 0 117 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.837 95.3 59.8 -72.3 -34.0 -1.8 39.1 35.0 158 386 A G S < S- 0 0 47 -3,-0.9 -3,-0.0 -4,-0.4 0, 0.0 -0.255 102.2 -82.2 -87.6 175.4 -1.3 38.6 38.7 159 387 A T > - 0 0 81 1,-0.1 3,-0.5 -2,-0.1 -1,-0.1 -0.652 35.6-137.5 -77.3 130.5 0.8 36.0 40.7 160 388 A P G > + 0 0 73 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.116 63.1 127.2 -83.0 28.4 -1.2 32.7 41.0 161 389 A T G 3 S+ 0 0 113 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.893 89.0 25.9 -44.9 -49.1 -0.3 32.2 44.7 162 390 A Y G < S+ 0 0 219 -3,-0.5 2,-0.5 2,-0.1 -1,-0.3 0.319 96.0 124.6 -99.2 4.0 -4.0 31.9 45.5 163 391 A L < - 0 0 41 -3,-1.3 5,-0.1 1,-0.1 0, 0.0 -0.594 61.7-122.8 -79.1 120.7 -5.1 30.6 42.0 164 392 A A >> - 0 0 36 -2,-0.5 4,-1.2 1,-0.1 3,-1.0 -0.177 18.4-122.5 -55.0 141.3 -7.0 27.2 41.9 165 393 A P H 3> S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.798 107.4 62.1 -60.5 -33.8 -5.5 24.5 39.7 166 394 A E H 3> S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.795 102.1 53.8 -62.8 -27.1 -8.5 24.0 37.5 167 395 A V H <> S+ 0 0 44 -3,-1.0 4,-0.5 2,-0.2 -1,-0.2 0.946 110.0 45.1 -72.2 -46.4 -8.1 27.6 36.3 168 396 A L H >< S+ 0 0 82 -4,-1.2 3,-0.9 1,-0.2 4,-0.3 0.869 112.6 53.3 -63.9 -36.7 -4.5 27.0 35.3 169 397 A V H >< S+ 0 0 115 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.898 102.0 58.4 -64.0 -42.4 -5.6 23.7 33.6 170 398 A S H 3X S+ 0 0 46 -4,-2.0 4,-2.2 1,-0.2 3,-0.4 0.613 85.3 80.0 -64.6 -15.1 -8.3 25.6 31.6 171 399 A V T << S+ 0 0 61 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.824 85.2 62.8 -62.1 -30.7 -5.5 27.9 30.0 172 400 A G T <4 S+ 0 0 42 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.882 114.8 28.0 -60.5 -43.3 -4.8 24.9 27.6 173 401 A T T 4 S+ 0 0 92 -3,-0.4 3,-0.4 -4,-0.4 -2,-0.2 0.733 90.9 124.8 -92.5 -29.4 -8.2 25.0 25.9 174 402 A A < + 0 0 45 -4,-2.2 -3,-0.0 1,-0.2 0, 0.0 0.088 69.4 26.9 -38.5 138.4 -9.2 28.7 26.4 175 403 A G S S+ 0 0 51 1,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.730 91.7 100.0 77.6 25.2 -10.1 30.7 23.3 176 404 A Y > + 0 0 100 -3,-0.4 3,-1.3 1,-0.1 4,-0.2 0.065 39.8 110.2-122.5 19.2 -11.4 27.7 21.3 177 405 A N T > + 0 0 95 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.848 69.9 67.1 -63.5 -34.5 -15.2 28.2 21.9 178 406 A R T >> S+ 0 0 101 1,-0.3 3,-1.4 2,-0.2 4,-0.7 0.725 82.0 76.7 -55.5 -28.5 -15.5 29.1 18.2 179 407 A A H <> S+ 0 0 8 -3,-1.3 4,-1.3 1,-0.2 -1,-0.3 0.674 79.9 70.4 -60.7 -16.4 -14.6 25.5 17.3 180 408 A V H <> S+ 0 0 67 -3,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.861 95.0 54.1 -66.5 -34.9 -18.3 24.5 18.3 181 409 A D H <> S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.2 0.833 106.6 51.8 -66.2 -35.0 -19.5 26.3 15.2 182 410 A C H X S+ 0 0 3 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.791 107.0 52.0 -74.8 -27.8 -17.1 24.2 13.1 183 411 A W H X S+ 0 0 34 -4,-1.3 4,-1.8 2,-0.2 3,-0.5 0.979 110.5 48.3 -67.5 -53.1 -18.5 21.0 14.6 184 412 A S H X S+ 0 0 27 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.839 110.7 50.8 -51.4 -44.8 -22.1 22.1 13.7 185 413 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.3 0.844 107.1 55.2 -63.4 -36.8 -21.0 22.9 10.2 186 414 A G H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.5 -2,-0.2 0.928 110.9 43.5 -59.3 -49.2 -19.5 19.5 10.1 187 415 A V H X S+ 0 0 30 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.855 113.0 52.7 -62.8 -44.3 -22.9 17.9 11.0 188 416 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.931 110.0 48.3 -61.1 -45.4 -24.8 20.2 8.6 189 417 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.891 110.5 51.6 -61.4 -40.7 -22.4 19.1 5.7 190 418 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 6,-0.4 0.924 112.4 46.0 -60.7 -48.1 -23.0 15.4 6.7 191 419 A I H X S+ 0 0 29 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.945 112.9 49.1 -61.1 -52.8 -26.8 15.8 6.6 192 420 A C H < S+ 0 0 3 -4,-2.6 -100,-1.4 1,-0.2 -2,-0.2 0.889 116.3 42.0 -54.4 -47.1 -26.8 17.8 3.2 193 421 A L H < S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 129.6 25.4 -69.4 -39.5 -24.5 15.2 1.5 194 422 A S H < S- 0 0 5 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.680 89.5-130.6-100.6 -28.1 -26.2 12.0 2.9 195 423 A G S < S+ 0 0 6 -4,-3.2 -106,-0.7 -5,-0.3 -105,-0.2 0.338 82.5 85.9 85.4 -2.7 -29.8 13.0 3.7 196 424 A Y S S- 0 0 15 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.950 83.5-105.6-128.9 148.9 -29.3 11.4 7.2 197 425 A P - 0 0 57 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.417 16.9-139.0 -74.0 146.1 -27.8 12.6 10.5 198 426 A P S S+ 0 0 1 0, 0.0 20,-2.8 0, 0.0 2,-0.4 0.805 93.7 36.4 -71.4 -29.7 -24.3 11.4 11.7 199 427 A F S S+ 0 0 22 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.994 79.5 137.8-127.7 119.0 -25.4 11.0 15.3 200 428 A S - 0 0 29 -2,-0.4 11,-0.1 2,-0.1 0, 0.0 -0.968 56.8-125.7-152.9 167.9 -29.0 9.7 16.2 201 429 A E S > S+ 0 0 136 -2,-0.3 3,-0.7 6,-0.0 2,-0.4 0.420 74.3 115.5 -99.0 3.6 -31.0 7.3 18.4 202 430 A H T 3 S- 0 0 163 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.617 93.6 -13.7 -77.1 123.9 -32.6 5.6 15.3 203 431 A R T 3 S+ 0 0 95 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.878 111.1 112.0 47.4 54.7 -31.5 1.9 15.1 204 432 A T < - 0 0 52 -3,-0.7 -1,-0.2 1,-0.1 0, 0.0 -0.990 54.6-160.4-150.5 149.6 -28.6 2.1 17.7 205 433 A Q S S+ 0 0 113 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.648 73.4 92.4 -99.4 -26.4 -27.8 0.8 21.2 206 434 A V S S- 0 0 70 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.515 84.7-113.6 -73.1 132.7 -25.1 3.5 21.8 207 435 A S > - 0 0 46 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.444 19.3-118.7 -69.3 145.5 -26.4 6.7 23.5 208 436 A L H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.880 117.5 54.1 -50.3 -42.2 -26.4 10.0 21.6 209 437 A K H > S+ 0 0 153 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 110.0 46.9 -57.1 -48.2 -24.0 11.4 24.2 210 438 A D H > S+ 0 0 82 -3,-0.3 4,-2.1 1,-0.2 6,-0.3 0.861 109.3 52.4 -65.8 -39.8 -21.6 8.5 23.7 211 439 A Q H X>S+ 0 0 9 -4,-2.4 5,-1.2 2,-0.2 4,-1.1 0.911 114.2 44.1 -61.5 -44.4 -21.7 8.7 19.8 212 440 A I H <5S+ 0 0 65 -4,-2.1 3,-0.2 -5,-0.2 -2,-0.2 0.941 114.3 46.3 -68.1 -50.1 -20.8 12.4 20.0 213 441 A T H <5S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.887 117.6 43.9 -62.1 -38.3 -18.0 12.2 22.6 214 442 A S H <5S- 0 0 66 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.730 103.6-135.9 -74.3 -22.9 -16.4 9.2 20.9 215 443 A G T <5 + 0 0 13 -4,-1.1 2,-1.3 -3,-0.2 -3,-0.2 0.646 51.7 150.1 72.5 19.8 -16.9 11.0 17.5 216 444 A K < - 0 0 86 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.665 28.0-167.4 -88.1 84.2 -18.1 7.7 16.0 217 445 A Y - 0 0 57 -2,-1.3 2,-0.7 22,-0.1 -18,-0.2 -0.389 31.2-100.7 -71.9 149.5 -20.6 8.9 13.3 218 446 A N - 0 0 78 -20,-2.8 2,-0.6 -21,-0.1 -1,-0.1 -0.630 40.7-164.4 -74.0 110.1 -22.9 6.4 11.6 219 447 A F - 0 0 88 -2,-0.7 -1,-0.0 4,-0.0 -3,-0.0 -0.901 10.1-173.7-104.7 113.2 -21.3 5.6 8.2 220 448 A I >> - 0 0 47 -2,-0.6 4,-1.9 1,-0.2 3,-0.9 -0.891 9.6-160.8-104.3 100.3 -23.6 3.9 5.7 221 449 A P H 3> S+ 0 0 74 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.863 86.9 58.3 -48.5 -45.8 -21.4 3.0 2.6 222 450 A E H 34 S+ 0 0 144 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.825 111.2 42.5 -52.8 -41.3 -24.4 2.6 0.2 223 451 A V H X4 S+ 0 0 33 -3,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.930 117.5 45.2 -72.6 -48.0 -25.4 6.3 0.8 224 452 A W H >< S+ 0 0 8 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.527 92.9 77.4 -76.1 -13.3 -21.8 7.7 0.8 225 453 A A T 3< S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.809 92.8 55.7 -65.2 -30.4 -20.7 5.8 -2.4 226 454 A E T < S+ 0 0 96 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 0.648 100.3 75.5 -73.1 -21.5 -22.7 8.5 -4.4 227 455 A V S < S- 0 0 16 -3,-0.7 -134,-0.0 -4,-0.2 -33,-0.0 -0.748 90.4-106.7 -98.2 143.1 -20.7 11.3 -2.6 228 456 A S > - 0 0 43 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.216 20.0-122.5 -62.4 155.4 -17.0 12.2 -3.6 229 457 A E H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.765 110.7 60.2 -70.3 -28.2 -14.0 11.2 -1.3 230 458 A K H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.913 105.4 46.7 -65.6 -47.0 -13.0 15.0 -1.1 231 459 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.937 113.5 48.7 -59.7 -50.1 -16.4 16.0 0.5 232 460 A L H X S+ 0 0 26 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.838 107.2 56.3 -60.2 -37.0 -16.2 13.1 3.0 233 461 A D H X S+ 0 0 60 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.901 107.4 48.7 -62.7 -42.1 -12.6 14.1 3.9 234 462 A L H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.903 110.7 50.6 -62.7 -43.3 -13.8 17.6 4.8 235 463 A V H >X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 3,-1.1 0.964 110.1 50.7 -56.1 -56.1 -16.6 16.1 7.0 236 464 A K H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.1 50.2 -50.2 -41.0 -14.0 13.9 8.7 237 465 A K H 3< S+ 0 0 75 -4,-1.8 10,-1.8 1,-0.2 3,-0.3 0.714 114.5 42.9 -75.4 -22.7 -11.8 17.0 9.4 238 466 A L H << S+ 0 0 0 -4,-1.3 2,-0.8 -3,-1.1 -2,-0.2 0.782 105.5 63.6 -90.3 -32.4 -14.7 19.0 10.9 239 467 A L S < S+ 0 0 8 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.261 73.2 135.3 -89.7 47.8 -16.1 16.1 13.0 240 468 A V - 0 0 44 -2,-0.8 6,-0.2 -3,-0.3 -25,-0.1 -0.861 52.5-144.6 -98.5 124.1 -12.9 15.8 15.1 241 469 A V S S+ 0 0 69 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.857 83.9 75.9 -57.0 -44.9 -13.5 15.4 18.9 242 470 A D S >> S- 0 0 90 1,-0.2 4,-2.1 2,-0.0 3,-1.2 -0.623 70.6-156.5 -74.7 111.1 -10.4 17.6 20.0 243 471 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 0.721 93.1 57.1 -62.8 -20.1 -11.5 21.3 19.4 244 472 A K T 34 S+ 0 0 106 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.708 113.3 39.2 -80.9 -22.8 -7.8 22.3 19.1 245 473 A A T <4 S+ 0 0 58 -3,-1.2 -1,-0.2 2,-0.1 3,-0.1 0.693 93.6 108.5 -94.6 -30.4 -7.3 19.8 16.3 246 474 A R S < S- 0 0 24 -4,-2.1 -8,-0.2 -6,-0.2 2,-0.1 -0.131 80.9 -96.9 -49.7 143.8 -10.7 20.4 14.5 247 475 A F - 0 0 34 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.363 35.2-140.8 -65.5 141.3 -10.6 22.4 11.2 248 476 A T > - 0 0 48 -3,-0.1 4,-2.3 -2,-0.1 5,-0.1 -0.447 31.9 -99.3 -91.7 174.6 -11.3 26.1 11.3 249 477 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.901 126.6 52.4 -61.4 -38.8 -13.3 28.0 8.7 250 478 A E H > S+ 0 0 65 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.874 110.2 46.5 -62.6 -44.5 -10.0 29.0 7.1 251 479 A E H > S+ 0 0 68 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.903 113.7 48.7 -66.3 -41.9 -8.7 25.4 6.9 252 480 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.946 110.0 52.0 -61.8 -46.7 -12.1 24.3 5.5 253 481 A L H 3< S+ 0 0 23 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.710 111.0 47.9 -62.5 -25.2 -12.0 27.1 2.9 254 482 A R H 3< S+ 0 0 171 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.515 88.0 116.2 -90.3 -13.9 -8.4 26.0 1.8 255 483 A H S XX S- 0 0 6 -3,-1.3 3,-1.7 -4,-0.7 4,-0.7 -0.268 79.2-116.4 -56.1 142.0 -9.6 22.3 1.6 256 484 A P G >4 S+ 0 0 65 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.777 111.6 66.6 -50.3 -31.9 -9.4 20.7 -2.0 257 485 A W G 34 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.813 105.3 41.3 -62.4 -31.0 -13.2 20.2 -1.9 258 486 A L G <4 S+ 0 0 0 -3,-1.7 2,-2.3 -6,-0.3 -1,-0.2 0.508 84.3 99.7 -96.9 -2.1 -13.8 24.0 -2.0 259 487 A Q << + 0 0 97 -3,-0.7 2,-0.4 -4,-0.7 -1,-0.1 -0.501 53.7 131.2 -81.5 68.1 -11.0 24.6 -4.6 260 488 A D > - 0 0 44 -2,-2.3 4,-2.1 1,-0.1 5,-0.2 -0.921 41.5-170.7-131.4 100.4 -13.7 24.8 -7.3 261 489 A E H > S+ 0 0 122 -2,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.715 87.5 56.8 -66.3 -21.4 -13.6 27.9 -9.6 262 490 A D H > S+ 0 0 116 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.929 108.6 44.1 -72.1 -51.7 -17.0 27.0 -11.1 263 491 A M H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.902 112.9 52.5 -62.2 -44.2 -18.8 27.1 -7.8 264 492 A K H X S+ 0 0 37 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.847 110.1 49.5 -60.4 -36.3 -17.0 30.3 -6.7 265 493 A R H X S+ 0 0 126 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.937 108.1 52.2 -67.4 -49.3 -18.1 32.0 -10.1 266 494 A K H X S+ 0 0 33 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.844 111.6 48.3 -56.3 -38.0 -21.8 30.9 -9.6 267 495 A F H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.952 110.5 49.0 -67.9 -50.3 -21.7 32.5 -6.1 268 496 A Q H X S+ 0 0 104 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.810 110.7 53.5 -56.8 -33.7 -20.1 35.8 -7.4 269 497 A D H X S+ 0 0 100 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.889 107.6 48.3 -66.7 -45.8 -22.9 35.8 -10.1 270 498 A L H X S+ 0 0 38 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.832 112.0 51.8 -64.4 -34.8 -25.7 35.5 -7.5 271 499 A L H X S+ 0 0 22 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.957 109.7 47.2 -63.5 -55.3 -24.0 38.4 -5.6 272 500 A S H X S+ 0 0 53 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.875 112.7 50.8 -54.3 -43.2 -23.9 40.6 -8.7 273 501 A E H < S+ 0 0 61 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.873 114.4 42.6 -64.3 -41.7 -27.6 39.8 -9.4 274 502 A E H >< S+ 0 0 76 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.924 115.6 49.1 -68.3 -47.6 -28.6 40.7 -5.8 275 503 A N H 3X S+ 0 0 83 -4,-3.1 4,-1.8 1,-0.2 3,-0.5 0.619 89.7 83.8 -68.3 -18.2 -26.4 43.8 -5.7 276 504 A E T 3< S+ 0 0 151 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.736 88.9 52.4 -56.1 -33.0 -27.8 45.1 -9.1 277 505 A S T <4 S+ 0 0 103 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.840 116.1 37.7 -72.9 -39.5 -30.8 46.7 -7.4 278 506 A T T 4 S+ 0 0 89 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.2 0.643 84.4 128.9 -86.6 -23.5 -28.7 48.7 -4.8 279 507 A A < - 0 0 77 -4,-1.8 3,-0.1 1,-0.1 -3,-0.0 -0.180 41.5-160.7 -48.7 109.2 -25.8 49.7 -7.1 280 508 A L - 0 0 101 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.679 34.6 -95.7 -86.1 141.8 -25.0 53.5 -7.1 281 509 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.193 48.4-140.5 -57.9 151.5 -22.9 54.8 -10.1 282 510 A Q - 0 0 176 -3,-0.1 2,-0.4 0, 0.0 -3,-0.0 -0.819 15.2 -98.4-124.1 162.1 -19.2 54.9 -9.5 283 511 A V 0 0 150 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.616 360.0 360.0 -72.5 123.4 -16.1 57.1 -10.1 284 512 A L 0 0 222 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 -0.657 360.0 360.0 -78.2 360.0 -14.2 55.6 -13.1