==== 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 4BDC . 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 . 283 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 66.8 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 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 0 2 1 0 1 2 0 0 0 0 0 1 0 1 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 0 3 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 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 1 210 A S 0 0 156 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.5 -54.1 40.0 20.7 2 211 A V - 0 0 127 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.925 360.0-103.2-140.6 162.0 -53.1 42.9 18.2 3 212 A Y - 0 0 67 -2,-0.3 5,-0.0 1,-0.1 10,-0.0 -0.620 51.7 -87.9 -85.8 151.1 -49.8 44.3 16.8 4 213 A P > - 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.1 -0.119 28.2-121.8 -56.1 155.8 -48.5 47.6 18.2 5 214 A K H > S+ 0 0 171 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.882 113.7 56.5 -63.9 -38.1 -49.6 50.9 16.6 6 215 A A H 4 S+ 0 0 56 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.860 110.5 42.2 -60.2 -43.6 -45.9 51.8 15.9 7 216 A L H >> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-1.6 0.946 114.6 50.8 -68.3 -50.4 -45.4 48.5 13.9 8 217 A R H 3< S+ 0 0 130 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.749 100.6 65.3 -56.6 -33.5 -48.8 48.8 12.1 9 218 A D T 3< S+ 0 0 123 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.673 118.0 22.8 -65.1 -24.2 -47.9 52.5 11.1 10 219 A E T <4 S+ 0 0 75 -3,-1.6 18,-2.7 -4,-0.4 19,-0.4 0.641 121.7 51.6-114.6 -30.2 -45.0 51.2 8.9 11 220 A Y E < -A 27 0A 4 -4,-2.3 2,-0.7 16,-0.2 16,-0.2 -0.959 60.9-146.2-123.3 138.3 -45.9 47.6 8.0 12 221 A I E -A 26 0A 82 14,-2.5 14,-1.9 -2,-0.4 2,-0.2 -0.903 31.6-138.5 -95.7 111.3 -49.0 45.8 6.5 13 222 A M E +A 25 0A 38 -2,-0.7 12,-0.2 12,-0.2 2,-0.1 -0.531 32.6 158.3 -77.8 136.2 -49.1 42.4 8.2 14 223 A S E - 0 0 54 10,-3.0 10,-0.1 1,-0.3 -1,-0.1 -0.360 39.5 -4.0-130.8-153.2 -50.0 39.2 6.1 15 224 A K E - 0 0 59 8,-0.1 9,-2.4 -2,-0.1 -1,-0.3 -0.043 67.4-108.8 -47.8 138.1 -49.6 35.3 6.1 16 225 A T E -A 23 0A 78 7,-0.2 7,-0.3 1,-0.1 3,-0.1 -0.462 25.5-169.6 -69.9 139.2 -47.6 33.4 8.7 17 226 A L E S+ 0 0 91 5,-3.5 2,-0.2 1,-0.2 6,-0.2 0.735 73.5 3.7-101.9 -29.3 -44.3 31.9 7.5 18 227 A G E A 22 0A 35 4,-1.6 4,-2.1 0, 0.0 -1,-0.2 -0.754 360.0 360.0-163.8 110.8 -43.4 29.7 10.5 19 228 A S 0 0 120 -2,-0.2 3,-0.0 2,-0.2 -2,-0.0 0.613 360.0 360.0 -85.2 360.0 -45.4 29.0 13.7 20 ! 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 21 233 A E 0 0 88 0, 0.0 17,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 113.8 -42.8 32.9 15.1 22 234 A V E -AB 18 37A 43 -4,-2.1 -5,-3.5 15,-0.2 -4,-1.6 -0.953 360.0-176.4-118.0 128.0 -42.3 34.5 11.6 23 235 A K E -AB 16 36A 33 13,-2.6 13,-3.5 -2,-0.4 2,-0.5 -0.880 25.9-120.9-122.2 154.4 -44.8 36.5 9.6 24 236 A L E + B 0 35A 27 -9,-2.4 -10,-3.0 -2,-0.3 2,-0.3 -0.801 38.7 170.9 -91.9 129.5 -44.8 38.1 6.1 25 237 A A E -AB 13 34A 0 9,-1.9 9,-2.8 -2,-0.5 2,-0.4 -0.850 27.4-130.9-131.9 168.8 -45.4 41.9 6.0 26 238 A F E -AB 12 33A 70 -14,-1.9 -14,-2.5 -2,-0.3 2,-0.5 -0.988 21.0-126.9-123.0 127.2 -45.2 44.7 3.5 27 239 A E E > -A 11 0A 43 5,-2.6 4,-2.9 -2,-0.4 5,-0.3 -0.646 16.6-148.8 -73.2 119.9 -43.3 47.9 4.1 28 240 A R T 4 S+ 0 0 124 -18,-2.7 -1,-0.2 -2,-0.5 -17,-0.1 0.848 94.1 54.0 -54.9 -40.5 -45.9 50.7 3.4 29 241 A K T 4 S+ 0 0 109 -19,-0.4 -1,-0.2 1,-0.2 -18,-0.1 0.903 126.4 18.1 -62.3 -47.0 -43.2 53.1 2.2 30 242 A T T 4 S- 0 0 67 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.588 87.9-134.6-103.5 -18.1 -41.7 50.8 -0.5 31 243 A C < + 0 0 101 -4,-2.9 -3,-0.1 1,-0.3 2,-0.1 0.419 61.1 141.1 65.5 7.5 -44.5 48.2 -1.0 32 244 A K - 0 0 95 -5,-0.3 -5,-2.6 1,-0.1 -1,-0.3 -0.375 57.1-109.1 -76.6 151.9 -41.6 45.7 -0.7 33 245 A K E +B 26 0A 61 -7,-0.2 44,-0.5 -3,-0.1 2,-0.3 -0.563 40.3 177.3 -79.4 147.7 -42.1 42.3 1.1 34 246 A V E -B 25 0A 4 -9,-2.8 -9,-1.9 -2,-0.2 2,-0.5 -0.873 27.9-120.0-139.9 171.9 -40.4 41.8 4.5 35 247 A A E -BC 24 75A 8 40,-3.0 40,-3.5 -2,-0.3 2,-0.6 -0.986 20.2-158.1-120.4 124.2 -40.2 39.1 7.3 36 248 A I E -BC 23 74A 0 -13,-3.5 -13,-2.6 -2,-0.5 2,-0.6 -0.913 4.1-158.9-108.8 108.0 -41.3 40.0 10.8 37 249 A K E -BC 22 73A 31 36,-3.2 36,-2.6 -2,-0.6 2,-0.6 -0.780 4.9-157.8 -87.2 114.9 -39.9 37.7 13.6 38 250 A I E - C 0 72A 23 -17,-3.2 2,-0.6 -2,-0.6 34,-0.2 -0.875 8.3-173.6 -96.1 114.1 -42.0 37.8 16.8 39 251 A I E - C 0 71A 33 32,-2.2 32,-2.5 -2,-0.6 2,-0.1 -0.973 26.4-130.4-109.3 108.0 -40.0 36.7 20.0 40 252 A S E C 0 70A 99 -2,-0.6 30,-0.2 30,-0.2 29,-0.0 -0.430 360.0 360.0 -66.6 135.9 -42.5 36.6 22.9 41 253 A K 0 0 144 28,-0.5 29,-0.1 -2,-0.1 -1,-0.1 0.982 360.0 360.0 -66.0 360.0 -41.5 38.4 26.2 42 ! 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 43 269 A N > 0 0 149 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -29.5 -30.9 38.6 25.2 44 270 A V H > + 0 0 23 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.785 360.0 56.0 -83.8 -29.1 -33.0 40.0 22.3 45 271 A E H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.850 109.5 46.5 -68.5 -33.8 -31.2 43.4 22.9 46 272 A T H > S+ 0 0 45 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.880 109.3 53.6 -72.6 -42.3 -27.9 41.6 22.4 47 273 A E H X S+ 0 0 29 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.900 113.2 43.6 -58.8 -43.0 -29.2 39.8 19.3 48 274 A I H X S+ 0 0 26 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.913 113.3 51.9 -67.9 -45.2 -30.2 43.2 17.8 49 275 A E H X S+ 0 0 61 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.898 113.5 44.0 -60.5 -43.7 -26.8 44.7 18.9 50 276 A I H >X S+ 0 0 13 -4,-3.1 4,-2.0 1,-0.2 3,-0.8 0.989 116.5 46.1 -64.2 -55.9 -24.9 41.8 17.2 51 277 A L H 3< S+ 0 0 6 -4,-2.6 11,-0.4 1,-0.2 -2,-0.2 0.687 107.2 56.5 -61.8 -26.4 -27.0 41.9 14.0 52 278 A K H 3< S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.846 113.2 41.5 -73.4 -35.4 -26.9 45.8 13.6 53 279 A K H << S+ 0 0 82 -4,-1.1 -2,-0.2 -3,-0.8 2,-0.1 0.857 97.1 88.0 -78.7 -41.7 -23.1 45.7 13.6 54 280 A L < - 0 0 16 -4,-2.0 2,-0.3 -5,-0.1 58,-0.0 -0.414 52.1-179.9 -66.2 131.2 -22.6 42.6 11.3 55 281 A N + 0 0 113 -2,-0.1 5,-0.1 6,-0.1 6,-0.1 -0.800 24.2 125.3-138.7 93.4 -22.5 43.3 7.6 56 282 A H > - 0 0 33 3,-0.4 3,-1.8 -2,-0.3 52,-0.0 -0.996 61.6-121.4-148.7 144.2 -22.0 40.3 5.2 57 283 A P T 3 S+ 0 0 42 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.742 113.8 48.8 -57.5 -27.4 -23.9 38.9 2.2 58 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.3 81,-0.1 2,-0.4 0.181 97.9 79.0-101.7 17.9 -24.4 35.5 4.0 59 285 A I B < S-e 140 0B 3 -3,-1.8 -3,-0.4 80,-0.3 82,-0.1 -0.997 87.6-112.5-125.2 123.5 -25.7 37.0 7.3 60 286 A I - 0 0 3 80,-1.9 2,-0.3 -2,-0.4 -6,-0.1 -0.215 32.5-134.5 -52.5 136.2 -29.4 38.1 7.6 61 287 A K - 0 0 59 -4,-0.1 15,-1.0 -6,-0.1 2,-0.4 -0.787 5.3-128.8-102.7 143.6 -29.8 41.9 8.1 62 288 A I E +D 75 0A 33 -11,-0.4 13,-0.2 -2,-0.3 3,-0.1 -0.753 23.3 178.4 -85.3 129.4 -32.1 43.8 10.5 63 289 A K E - 0 0 77 11,-3.3 2,-0.3 1,-0.4 12,-0.2 0.744 66.9 -14.8 -99.6 -34.0 -34.3 46.3 8.7 64 290 A N E -D 74 0A 41 10,-1.1 10,-3.1 2,-0.0 -1,-0.4 -0.973 57.6-147.0-166.0 158.2 -36.3 47.5 11.9 65 291 A F E -D 73 0A 62 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.999 4.9-168.1-142.1 138.4 -37.0 46.6 15.5 66 292 A F E -D 72 0A 23 6,-2.9 6,-3.3 -2,-0.3 2,-0.7 -0.991 5.0-163.8-129.8 123.1 -40.1 47.1 17.8 67 293 A D E +D 71 0A 99 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.909 42.6 118.3-109.4 99.7 -40.0 46.5 21.6 68 294 A A S S- 0 0 32 2,-2.5 -65,-0.0 -2,-0.7 3,-0.0 -0.104 86.0 -32.8-128.8-135.4 -43.6 46.2 22.9 69 295 A E S S+ 0 0 83 -2,-0.1 -28,-0.5 -28,-0.0 2,-0.3 0.774 140.9 11.5 -63.8 -26.8 -45.8 43.5 24.7 70 296 A D E S-C 40 0A 43 -30,-0.2 -2,-2.5 -29,-0.1 2,-0.4 -0.836 96.6 -98.1-137.8 168.0 -43.5 41.2 22.5 71 297 A Y E -CD 39 67A 64 -32,-2.5 -32,-2.2 -2,-0.3 2,-0.5 -0.830 32.7-161.0 -95.0 134.2 -40.3 41.9 20.5 72 298 A Y E -CD 38 66A 10 -6,-3.3 -6,-2.9 -2,-0.4 2,-0.5 -0.978 4.8-170.0-119.6 121.6 -40.8 42.4 16.7 73 299 A I E -CD 37 65A 7 -36,-2.6 -36,-3.2 -2,-0.5 2,-0.5 -0.974 10.6-150.8-117.2 119.2 -37.8 42.0 14.4 74 300 A V E +CD 36 64A 0 -10,-3.1 -11,-3.3 -2,-0.5 -10,-1.1 -0.798 25.9 172.0 -91.5 119.9 -38.0 43.1 10.7 75 301 A L E -CD 35 62A 19 -40,-3.5 -40,-3.0 -2,-0.5 -13,-0.2 -0.837 40.4 -87.8-124.8 163.4 -35.8 41.1 8.4 76 302 A E - 0 0 53 -15,-1.0 2,-0.4 -2,-0.3 -42,-0.2 -0.430 53.3-107.7 -68.7 140.4 -35.2 40.7 4.7 77 303 A L - 0 0 57 -44,-0.5 2,-0.9 -2,-0.1 -1,-0.1 -0.658 22.7-153.1 -80.5 126.2 -37.5 38.1 3.2 78 304 A M > - 0 0 22 -2,-0.4 3,-1.1 1,-0.1 52,-0.2 -0.887 7.8-168.3 -99.6 100.4 -35.8 34.8 2.2 79 305 A E T 3 S+ 0 0 66 51,-1.3 52,-0.2 -2,-0.9 51,-0.2 0.699 80.2 60.0 -66.2 -21.3 -38.1 33.5 -0.5 80 306 A G T 3 S- 0 0 24 49,-1.8 -1,-0.2 1,-0.2 50,-0.2 0.532 95.6-148.1 -84.4 -8.5 -36.4 30.0 -0.6 81 307 A G E < -F 129 0B 29 -3,-1.1 48,-2.5 48,-0.5 -1,-0.2 -0.379 43.3 -15.4 77.2-157.2 -37.3 29.2 3.1 82 308 A E E -F 128 0B 70 46,-0.2 3,-0.5 1,-0.1 4,-0.4 -0.589 48.9-134.5 -83.9 148.2 -35.2 27.1 5.5 83 309 A L S >> S+ 0 0 0 44,-3.0 3,-1.2 41,-0.9 4,-0.8 0.761 104.8 71.3 -69.5 -27.2 -32.4 24.7 4.3 84 310 A F H >> S+ 0 0 71 40,-1.3 4,-1.6 43,-0.4 3,-1.3 0.902 91.6 55.6 -54.7 -44.7 -34.0 22.2 6.7 85 311 A D H 34 S+ 0 0 92 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.691 104.3 54.4 -63.5 -22.1 -36.9 21.8 4.3 86 312 A K H <4 S+ 0 0 44 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.636 116.5 37.4 -84.4 -16.5 -34.5 20.9 1.5 87 313 A V H < S+ 0 0 45 -4,-1.6 3,-0.5 1,-0.2 110,-0.0 -0.185 73.5 22.5 -57.8 149.0 -36.0 16.5 5.6 89 315 A G T 34 S- 0 0 74 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.866 135.6 -58.4 61.1 42.6 -37.1 12.9 5.0 90 316 A N T 34 S+ 0 0 116 107,-0.6 2,-0.3 -3,-0.4 -1,-0.2 0.743 86.6 165.8 57.3 31.4 -33.7 11.7 3.7 91 317 A K << - 0 0 101 -4,-0.7 2,-0.5 -3,-0.5 -1,-0.2 -0.583 24.7-146.5 -73.7 131.0 -33.8 14.3 0.8 92 318 A R - 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 103,-0.1 -0.934 3.9-143.3-113.4 131.5 -30.4 14.6 -0.7 93 319 A L - 0 0 22 101,-1.5 5,-0.1 -2,-0.5 104,-0.0 -0.705 34.7-101.8 -86.2 136.7 -28.8 17.7 -2.2 94 320 A K >> - 0 0 114 -2,-0.3 4,-1.7 1,-0.1 3,-1.2 -0.297 34.8-112.6 -54.8 140.5 -26.6 17.3 -5.4 95 321 A E H 3> S+ 0 0 53 1,-0.3 4,-2.1 133,-0.2 -1,-0.1 0.806 118.0 55.6 -47.7 -33.2 -22.8 17.4 -4.4 96 322 A A H 3> S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.841 105.9 48.8 -68.4 -38.5 -22.6 20.8 -6.4 97 323 A T H <> S+ 0 0 11 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.808 109.4 53.7 -72.5 -32.1 -25.4 22.4 -4.4 98 324 A C H X S+ 0 0 2 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.943 108.4 50.2 -63.7 -49.1 -23.7 21.2 -1.1 99 325 A K H X S+ 0 0 32 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.917 112.3 46.4 -56.1 -47.3 -20.5 22.9 -2.3 100 326 A L H X S+ 0 0 3 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.915 118.0 40.6 -61.5 -49.3 -22.2 26.2 -3.1 101 327 A Y H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 116.7 49.2 -65.1 -49.4 -24.2 26.4 0.2 102 328 A F H X S+ 0 0 3 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.907 106.6 55.1 -61.1 -44.5 -21.4 25.1 2.4 103 329 A Y H X S+ 0 0 28 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.915 110.4 47.4 -55.5 -45.1 -18.8 27.6 0.9 104 330 A Q H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.873 110.1 51.2 -64.6 -41.3 -21.2 30.4 1.8 105 331 A M H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.896 110.9 50.8 -62.4 -40.0 -21.7 29.0 5.4 106 332 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.923 111.5 46.2 -63.4 -43.9 -17.9 28.9 5.7 107 333 A L H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 114.2 48.7 -61.9 -46.3 -17.6 32.5 4.6 108 334 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.920 115.3 43.0 -58.1 -52.3 -20.4 33.6 6.9 109 335 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.923 110.6 55.2 -65.0 -43.6 -18.9 31.8 10.0 110 336 A Q H X S+ 0 0 39 -4,-2.9 4,-3.3 -5,-0.2 -2,-0.2 0.928 108.8 50.3 -53.3 -46.0 -15.3 33.0 9.1 111 337 A Y H X S+ 0 0 41 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.921 110.4 48.6 -54.3 -54.8 -16.8 36.6 9.2 112 338 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 -1,-0.2 0.919 115.3 44.0 -51.5 -54.0 -18.4 36.0 12.6 113 339 A H H ><5S+ 0 0 6 -4,-2.6 3,-1.9 3,-0.2 -2,-0.2 0.898 110.8 53.6 -62.5 -44.1 -15.2 34.5 14.1 114 340 A E H 3<5S+ 0 0 127 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.890 113.6 44.5 -55.8 -40.0 -13.0 37.3 12.5 115 341 A N T 3<5S- 0 0 89 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.010 124.2-106.3 -93.9 22.3 -15.4 39.8 14.3 116 342 A G T < 5S+ 0 0 18 -3,-1.9 33,-2.2 1,-0.2 2,-0.4 0.731 74.8 131.7 58.0 37.7 -15.4 37.8 17.6 117 343 A I E < -H 148 0C 13 -5,-2.5 2,-0.5 31,-0.2 31,-0.2 -0.942 40.2-160.1-119.3 139.0 -18.9 36.3 17.5 118 344 A I E -H 147 0C 3 29,-2.1 29,-1.9 -2,-0.4 62,-0.1 -0.985 4.9-159.5-118.2 116.6 -19.7 32.6 18.1 119 345 A H - 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0 0 119 1,-0.1 3,-0.5 -2,-0.1 2,-0.4 -0.812 31.5-133.0 -91.6 130.3 0.6 35.9 40.7 162 388 A P T 3 + 0 0 63 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.113 65.1 127.0 -76.4 30.1 -1.2 32.5 41.2 163 389 A T T 3 S+ 0 0 103 -2,-0.4 -3,-0.0 1,-0.3 0, 0.0 0.905 91.1 21.3 -46.0 -49.9 -0.3 32.2 44.9 164 390 A Y S < S+ 0 0 219 -3,-0.5 -1,-0.3 2,-0.0 2,-0.2 0.364 96.6 124.5-101.8 -1.9 -4.0 31.7 45.7 165 391 A L - 0 0 46 -3,-0.5 5,-0.0 -4,-0.1 0, 0.0 -0.434 63.1-118.3 -68.3 133.2 -5.2 30.6 42.3 166 392 A A >> - 0 0 34 -2,-0.2 4,-1.3 1,-0.1 3,-0.6 -0.355 18.9-122.8 -66.2 147.3 -7.1 27.2 42.1 167 393 A P H 3> S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.900 108.8 59.5 -62.1 -44.0 -5.5 24.4 40.0 168 394 A E H 3> S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.826 102.3 55.0 -53.4 -32.5 -8.5 23.9 37.7 169 395 A V H <> S+ 0 0 42 -3,-0.6 4,-0.6 2,-0.2 -1,-0.2 0.947 109.1 46.6 -67.6 -46.9 -8.1 27.6 36.6 170 396 A L H >< S+ 0 0 83 -4,-1.3 3,-0.6 1,-0.2 4,-0.3 0.831 112.2 51.8 -63.1 -34.1 -4.5 27.0 35.6 171 397 A V H >X S+ 0 0 107 -4,-2.3 3,-1.7 1,-0.2 4,-0.5 0.921 99.5 62.2 -68.2 -43.3 -5.6 23.8 33.8 172 398 A S H 3X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.690 85.8 79.7 -54.5 -22.1 -8.4 25.6 31.8 173 399 A V H << S+ 0 0 60 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.774 88.4 54.3 -56.8 -35.3 -5.5 27.8 30.2 174 400 A G H <4 S+ 0 0 44 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.932 115.4 35.6 -65.0 -50.0 -4.7 25.0 27.8 175 401 A T H < S+ 0 0 100 -4,-0.5 3,-0.5 -3,-0.2 -2,-0.2 0.685 94.7 118.6 -76.5 -29.4 -8.2 24.6 26.3 176 402 A A < + 0 0 39 -4,-1.9 -3,-0.0 1,-0.2 0, 0.0 0.106 66.3 26.8 -44.7 152.3 -9.1 28.4 26.5 177 403 A G S S+ 0 0 52 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.684 92.9 98.0 63.8 25.8 -9.9 30.5 23.5 178 404 A Y + 0 0 102 -3,-0.5 3,-0.4 2,-0.1 -2,-0.1 -0.017 40.6 108.6-127.3 24.5 -11.3 27.5 21.4 179 405 A N S > S+ 0 0 103 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.759 70.9 67.6 -71.7 -29.8 -15.1 28.0 22.0 180 406 A R T >> S+ 0 0 99 1,-0.3 3,-2.5 2,-0.2 4,-0.5 0.872 81.9 76.3 -57.9 -37.3 -15.5 29.1 18.4 181 407 A A H 3> S+ 0 0 8 -3,-0.4 4,-1.4 1,-0.3 -1,-0.3 0.604 77.6 75.9 -50.9 -14.6 -14.6 25.5 17.3 182 408 A V H <> S+ 0 0 63 -3,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.866 91.5 52.8 -66.6 -33.7 -18.2 24.6 18.3 183 409 A D H <> S+ 0 0 0 -3,-2.5 4,-2.3 -4,-0.2 -1,-0.2 0.793 104.9 54.5 -69.6 -32.4 -19.4 26.2 15.1 184 410 A C H X S+ 0 0 5 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.845 106.5 52.2 -70.9 -34.0 -17.0 24.1 13.0 185 411 A W H X S+ 0 0 39 -4,-1.4 4,-2.1 2,-0.2 3,-0.3 0.988 110.1 48.7 -60.8 -56.2 -18.5 21.0 14.6 186 412 A S H X S+ 0 0 23 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.854 110.0 50.3 -49.9 -47.1 -22.0 22.2 13.6 187 413 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.905 110.0 52.4 -61.6 -38.6 -20.9 22.9 10.0 188 414 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.3 -2,-0.2 0.888 111.4 45.0 -61.9 -42.2 -19.5 19.4 10.0 189 415 A V H X S+ 0 0 34 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.874 115.7 48.2 -70.3 -37.0 -22.8 18.0 11.2 190 416 A I H X S+ 0 0 4 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.965 110.4 50.1 -67.4 -51.4 -24.7 20.2 8.6 191 417 A L H X S+ 0 0 2 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.869 109.2 52.4 -54.6 -42.1 -22.4 19.1 5.7 192 418 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.923 110.9 48.3 -57.2 -49.9 -22.9 15.4 6.6 193 419 A I H X S+ 0 0 31 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.913 113.8 45.5 -58.5 -49.5 -26.8 15.9 6.5 194 420 A C H < S+ 0 0 6 -4,-2.5 -101,-1.5 1,-0.2 -2,-0.2 0.895 117.2 44.3 -60.7 -46.2 -26.7 17.7 3.1 195 421 A L H < S+ 0 0 5 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.814 128.9 23.7 -67.1 -40.8 -24.3 15.1 1.5 196 422 A S H < S- 0 0 6 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.644 89.0-128.6-103.5 -26.1 -26.0 12.0 2.9 197 423 A G S < S+ 0 0 7 -4,-2.5 -107,-0.6 -5,-0.3 -106,-0.2 0.187 86.2 81.4 89.7 -15.5 -29.7 12.9 3.6 198 424 A Y S S- 0 0 15 -6,-0.3 -2,-0.3 -108,-0.1 -1,-0.2 -0.860 83.9-107.7-119.8 154.2 -29.1 11.3 7.1 199 425 A P - 0 0 55 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.472 17.4-133.9 -81.6 154.3 -27.5 12.7 10.4 200 426 A P S S+ 0 0 0 0, 0.0 20,-3.1 0, 0.0 2,-0.4 0.938 94.0 36.3 -70.1 -45.3 -24.1 11.5 11.7 201 427 A F S S+ 0 0 21 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.929 79.6 141.1-113.6 125.9 -25.2 11.0 15.4 202 428 A S - 0 0 39 -2,-0.4 11,-0.0 2,-0.1 18,-0.0 -0.973 55.8-128.7-163.4 155.2 -28.7 9.7 16.1 203 429 A E S > S+ 0 0 79 -2,-0.3 3,-0.7 2,-0.0 2,-0.5 0.324 71.7 117.1 -92.3 4.9 -30.8 7.4 18.3 204 430 A H T 3 S- 0 0 158 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.681 93.9 -14.0 -79.7 121.9 -32.4 5.6 15.3 205 431 A R T 3 S+ 0 0 93 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.897 111.3 113.8 49.0 54.4 -31.5 1.8 15.2 206 432 A T < - 0 0 57 -3,-0.7 -1,-0.2 1,-0.1 -3,-0.0 -0.980 53.2-161.9-146.9 152.8 -28.6 2.1 17.8 207 433 A Q S S+ 0 0 200 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.686 71.9 93.3-101.7 -33.9 -27.8 0.9 21.3 208 434 A V S S- 0 0 65 1,-0.1 -2,-0.0 2,-0.0 5,-0.0 -0.423 84.6-112.7 -65.3 129.5 -25.0 3.5 21.9 209 435 A S > - 0 0 52 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.284 19.0-118.6 -63.1 152.7 -26.3 6.7 23.7 210 436 A L H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.941 118.5 53.6 -58.9 -44.1 -26.3 10.0 21.7 211 437 A K H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 109.8 49.4 -55.8 -41.8 -23.8 11.4 24.3 212 438 A D H > S+ 0 0 85 2,-0.2 4,-2.9 1,-0.2 6,-0.3 0.939 109.8 48.0 -65.9 -48.2 -21.6 8.4 23.7 213 439 A Q H X>S+ 0 0 8 -4,-2.3 4,-1.7 2,-0.2 5,-1.1 0.926 116.8 44.5 -55.1 -51.2 -21.5 8.7 19.8 214 440 A I H <5S+ 0 0 63 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.921 115.6 45.1 -63.2 -48.6 -20.8 12.4 20.0 215 441 A T H <5S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.924 118.0 44.3 -64.1 -41.4 -18.1 12.2 22.7 216 442 A S H <5S- 0 0 73 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.747 102.5-137.1 -69.9 -26.7 -16.4 9.2 20.9 217 443 A G T <5 + 0 0 12 -4,-1.7 2,-1.2 -5,-0.2 -3,-0.2 0.600 54.4 143.5 75.0 17.3 -16.8 11.0 17.6 218 444 A K < - 0 0 65 -5,-1.1 -1,-0.2 -6,-0.3 -2,-0.1 -0.693 32.4-167.0 -93.8 83.5 -17.9 7.7 15.9 219 445 A Y - 0 0 59 -2,-1.2 2,-0.6 22,-0.1 -18,-0.2 -0.316 32.2 -97.0 -67.9 151.3 -20.6 8.9 13.4 220 446 A N - 0 0 76 -20,-3.1 2,-0.6 -21,-0.2 -1,-0.1 -0.618 43.1-163.3 -74.6 111.8 -22.9 6.4 11.7 221 447 A F - 0 0 83 -2,-0.6 -1,-0.0 -3,-0.0 -3,-0.0 -0.901 11.5-173.3-105.7 117.4 -21.4 5.6 8.3 222 448 A I >> - 0 0 55 -2,-0.6 4,-2.1 1,-0.2 3,-0.8 -0.891 8.2-162.6-108.7 100.6 -23.5 4.0 5.6 223 449 A P H 3> S+ 0 0 78 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.876 86.1 59.5 -50.0 -47.4 -21.3 3.0 2.6 224 450 A E H 34 S+ 0 0 150 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.847 111.9 41.5 -48.5 -43.4 -24.2 2.6 0.0 225 451 A V H X4 S+ 0 0 38 -3,-0.8 3,-1.2 1,-0.2 -1,-0.2 0.951 114.8 49.7 -72.7 -48.6 -25.2 6.3 0.7 226 452 A W H >< S+ 0 0 9 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.479 91.4 78.9 -71.5 -5.3 -21.6 7.7 0.7 227 453 A A T 3< S+ 0 0 79 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.840 90.9 53.6 -70.1 -33.4 -20.7 5.9 -2.6 228 454 A E T < S+ 0 0 85 -3,-1.2 2,-0.4 -4,-0.4 -1,-0.2 0.431 101.2 80.6 -79.6 -0.2 -22.6 8.7 -4.5 229 455 A V S < S- 0 0 18 -3,-0.8 -33,-0.0 -4,-0.1 -34,-0.0 -0.884 85.0-115.6-111.0 140.3 -20.3 11.2 -2.6 230 456 A S > - 0 0 39 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.172 18.5-121.7 -66.1 163.0 -16.7 12.1 -3.5 231 457 A E H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.864 113.6 58.5 -74.6 -36.5 -13.7 11.4 -1.2 232 458 A K H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.907 108.4 45.9 -56.7 -45.7 -12.8 15.1 -1.1 233 459 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.956 115.6 44.6 -61.5 -55.7 -16.3 15.9 0.3 234 460 A L H X S+ 0 0 28 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.834 108.6 58.3 -59.6 -36.8 -16.1 13.0 2.9 235 461 A D H X S+ 0 0 70 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.917 105.3 50.5 -60.0 -44.2 -12.5 14.0 3.9 236 462 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.2 -2,-0.2 0.910 110.1 49.1 -59.4 -45.4 -13.7 17.5 4.8 237 463 A V H >X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 3,-0.7 0.956 111.7 49.1 -57.4 -53.1 -16.5 16.1 7.0 238 464 A K H 3< S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 111.8 49.8 -53.8 -38.0 -13.9 13.7 8.7 239 465 A K H 3< S+ 0 0 44 -4,-1.9 10,-1.7 1,-0.2 -1,-0.2 0.750 116.7 40.7 -75.6 -28.0 -11.6 16.8 9.3 240 466 A L H << S+ 0 0 1 -4,-1.7 2,-1.1 -3,-0.7 -2,-0.2 0.745 104.3 66.3 -89.0 -34.9 -14.4 18.9 10.8 241 467 A L S < S+ 0 0 7 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.396 73.7 139.8 -88.3 55.3 -16.1 16.1 12.9 242 468 A V - 0 0 40 -2,-1.1 6,-0.2 -3,-0.2 -25,-0.1 -0.898 50.8-144.8-105.0 125.9 -12.9 15.8 15.2 243 469 A V S S+ 0 0 75 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.918 85.5 70.4 -53.4 -57.6 -13.4 15.3 19.0 244 470 A D S >> S- 0 0 90 1,-0.2 4,-1.7 2,-0.0 3,-1.0 -0.551 72.4-155.0 -65.9 109.0 -10.4 17.5 20.1 245 471 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 0.754 93.4 58.2 -58.7 -25.0 -11.4 21.1 19.4 246 472 A K T 34 S+ 0 0 110 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.856 112.1 39.5 -73.5 -31.5 -7.7 22.1 19.1 247 473 A A T <4 S+ 0 0 60 -3,-1.0 -1,-0.2 2,-0.1 -4,-0.1 0.639 95.4 107.2 -86.2 -26.0 -7.1 19.5 16.3 248 474 A R S < S- 0 0 22 -4,-1.7 -8,-0.2 -6,-0.2 -9,-0.1 -0.314 79.8 -99.5 -59.1 140.1 -10.5 20.3 14.6 249 475 A F - 0 0 37 -10,-1.7 2,-0.2 -13,-0.1 -1,-0.1 -0.215 32.8-140.4 -60.0 145.5 -10.5 22.2 11.3 250 476 A T > - 0 0 48 1,-0.1 4,-2.9 -66,-0.0 5,-0.2 -0.592 30.8-101.7 -99.3 170.5 -11.2 26.0 11.3 251 477 A T H > S+ 0 0 0 -2,-0.2 4,-3.2 2,-0.2 5,-0.1 0.895 125.8 53.2 -58.7 -37.7 -13.2 27.8 8.7 252 478 A E H > S+ 0 0 67 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.944 111.4 43.4 -59.7 -53.7 -9.9 29.0 7.2 253 479 A E H > S+ 0 0 62 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.886 115.1 50.1 -60.4 -44.8 -8.5 25.4 6.9 254 480 A A H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 6,-0.3 0.971 108.9 51.4 -58.0 -54.1 -11.9 24.2 5.6 255 481 A L H 3< S+ 0 0 19 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.649 110.1 51.0 -57.9 -22.5 -11.9 27.1 2.9 256 482 A R H 3< S+ 0 0 171 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.557 87.5 116.5 -89.4 -12.9 -8.3 25.9 1.9 257 483 A H S XX S- 0 0 8 -3,-2.1 3,-2.2 -4,-0.6 4,-0.7 -0.279 78.6-116.1 -60.5 139.4 -9.5 22.2 1.5 258 484 A P G >4 S+ 0 0 74 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.752 112.7 63.8 -43.7 -36.0 -9.3 20.6 -2.0 259 485 A W G 34 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.817 105.6 44.4 -61.6 -31.2 -13.1 20.2 -2.0 260 486 A L G <4 S+ 0 0 0 -3,-2.2 2,-1.8 -6,-0.3 -1,-0.2 0.518 84.4 93.7 -95.4 -3.2 -13.6 23.9 -2.0 261 487 A Q << + 0 0 108 -3,-0.8 2,-0.5 -4,-0.7 -1,-0.2 -0.486 54.2 133.3 -85.7 61.9 -10.9 24.7 -4.6 262 488 A D > - 0 0 38 -2,-1.8 4,-2.2 1,-0.1 3,-0.5 -0.896 41.1-166.2-121.5 95.8 -13.7 24.7 -7.3 263 489 A E H > S+ 0 0 124 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.661 87.3 52.8 -56.1 -23.8 -13.4 27.7 -9.6 264 490 A D H > S+ 0 0 103 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.882 108.9 48.1 -79.5 -44.0 -16.8 27.2 -11.2 265 491 A M H > S+ 0 0 10 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.950 112.5 49.1 -61.5 -50.0 -18.6 27.1 -7.8 266 492 A K H X S+ 0 0 44 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.904 112.9 49.0 -54.2 -45.5 -16.7 30.3 -6.6 267 493 A R H X S+ 0 0 122 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.898 108.5 53.2 -57.4 -50.3 -17.8 31.9 -10.0 268 494 A K H X S+ 0 0 32 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.866 111.6 44.8 -56.2 -46.1 -21.5 30.8 -9.5 269 495 A F H >X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 3,-0.5 0.947 113.2 51.0 -63.8 -49.6 -21.7 32.5 -6.0 270 496 A Q H 3X S+ 0 0 106 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.818 111.0 49.1 -54.7 -38.5 -19.9 35.6 -7.3 271 497 A D H 3X S+ 0 0 96 -4,-2.2 4,-1.0 2,-0.2 -1,-0.3 0.772 111.5 48.1 -72.5 -32.6 -22.4 35.7 -10.2 272 498 A L H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 3,-1.1 0.982 108.4 41.9 -61.8 -62.3 -23.8 38.1 -5.5 274 500 A S H 3X S+ 0 0 70 -4,-1.8 4,-1.2 1,-0.3 -1,-0.2 0.802 107.7 64.5 -56.2 -32.5 -23.8 40.8 -8.3 275 501 A E H 3< S+ 0 0 71 -4,-1.0 -1,-0.3 1,-0.2 4,-0.2 0.838 110.1 36.9 -58.8 -39.6 -27.3 39.6 -9.3 276 502 A E H XX S+ 0 0 62 -3,-1.1 3,-0.9 -4,-1.1 4,-0.5 0.836 113.5 58.7 -79.2 -38.7 -28.6 40.8 -5.8 277 503 A N H 3X S+ 0 0 91 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.612 84.4 80.1 -68.4 -16.0 -26.3 43.9 -5.8 278 504 A E H 3< S+ 0 0 72 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.832 91.3 53.3 -60.5 -35.5 -27.8 45.3 -9.1 279 505 A S H <4 S+ 0 0 101 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.923 115.3 37.2 -64.1 -50.6 -30.8 46.7 -7.1 280 506 A T H < S+ 0 0 85 -4,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.716 87.4 131.0 -73.7 -28.5 -28.6 48.7 -4.5 281 507 A A < - 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