==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAY-11 2YIQ . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.T.LOUNTOS,A.G.JOBSON,J.E.TROPEA,C.SELF,G.ZHANG,Y.POMMIER, . 280 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 67.9 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 . 39 13.9 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 31.1 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 1 3 1 0 1 1 0 0 0 1 0 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 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 . 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 1 211 A V 0 0 188 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 -53.2 42.5 17.8 2 212 A Y - 0 0 64 1,-0.1 5,-0.0 2,-0.1 10,-0.0 -0.507 360.0 -91.4 -69.7 149.5 -49.9 43.6 16.2 3 213 A P >> - 0 0 28 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.280 32.3-120.1 -65.4 147.3 -48.3 46.6 18.0 4 214 A K H 3> S+ 0 0 168 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.869 111.1 55.0 -57.8 -41.5 -49.4 50.0 16.5 5 215 A A H 3> S+ 0 0 58 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.827 110.0 47.7 -64.3 -29.9 -45.8 51.1 15.6 6 216 A L H X> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 3,-0.8 0.942 112.1 48.5 -72.5 -49.7 -45.4 47.9 13.5 7 217 A R H 3< S+ 0 0 132 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.818 103.4 63.9 -53.1 -37.1 -48.8 48.4 11.8 8 218 A D H 3< S+ 0 0 124 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.866 117.5 25.0 -56.8 -37.3 -47.8 52.0 11.1 9 219 A E H << S+ 0 0 72 -3,-0.8 18,-2.8 -4,-0.8 19,-0.5 0.643 123.7 38.0-102.9 -20.1 -44.9 50.8 8.9 10 220 A Y E < -A 26 0A 4 -4,-2.0 2,-0.6 16,-0.2 16,-0.2 -0.976 59.9-138.0-138.1 148.1 -45.9 47.3 7.6 11 221 A I E -A 25 0A 88 14,-2.5 14,-2.5 -2,-0.3 2,-0.2 -0.941 33.3-136.7-103.2 121.5 -48.9 45.3 6.5 12 222 A M E +A 24 0A 33 -2,-0.6 12,-0.2 12,-0.2 2,-0.1 -0.521 30.6 165.3 -81.9 147.5 -48.8 41.8 8.0 13 223 A S E - 0 0 49 10,-2.7 -1,-0.1 1,-0.3 11,-0.1 -0.323 35.2 -13.7-136.1-147.2 -49.6 38.7 6.0 14 224 A K E - 0 0 126 8,-0.1 9,-3.4 1,-0.1 2,-0.4 -0.102 63.4-102.7 -69.6 155.5 -49.3 34.9 5.9 15 225 A T E -A 22 0A 65 7,-0.2 7,-0.3 1,-0.2 -1,-0.1 -0.635 29.1-173.2 -75.0 128.6 -47.2 32.7 8.1 16 226 A L 0 0 78 5,-3.4 6,-0.2 -2,-0.4 -1,-0.2 0.803 360.0 360.0 -90.2 -37.4 -44.0 31.5 6.3 17 227 A G 0 0 63 4,-1.3 4,-2.1 62,-0.1 -1,-0.3 -0.972 360.0 360.0-156.0 360.0 -42.8 29.0 9.0 18 ! 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 19 232 A G 0 0 79 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 148.5 -41.6 31.7 17.3 20 233 A E E - B 0 37A 92 17,-1.2 17,-2.9 15,-0.1 2,-0.5 -0.942 360.0-140.0-146.7 157.1 -43.3 32.3 14.0 21 234 A V E - B 0 36A 39 -4,-2.1 -5,-3.4 -2,-0.3 -4,-1.3 -0.994 23.5-167.5-118.2 124.8 -42.0 33.9 10.7 22 235 A K E -AB 15 35A 32 13,-2.6 13,-2.9 -2,-0.5 2,-0.3 -0.857 21.2-126.4-109.0 144.1 -44.6 36.1 8.9 23 236 A L E + B 0 34A 17 -9,-3.4 -10,-2.7 -2,-0.4 2,-0.3 -0.689 39.3 170.1 -75.5 141.0 -44.6 37.6 5.5 24 237 A A E -AB 12 33A 0 9,-1.8 9,-2.5 -2,-0.3 2,-0.5 -0.959 29.5-129.7-144.3 165.2 -45.2 41.4 5.6 25 238 A F E -AB 11 32A 67 -14,-2.5 -14,-2.5 -2,-0.3 2,-0.4 -0.978 20.0-130.6-119.7 128.0 -45.0 44.3 3.2 26 239 A E E >> -AB 10 31A 28 5,-2.6 4,-2.1 -2,-0.5 5,-0.5 -0.651 17.5-145.8 -72.1 126.8 -43.1 47.5 4.1 27 240 A R T 45S+ 0 0 122 -18,-2.8 -1,-0.2 -2,-0.4 -17,-0.1 0.911 92.6 57.9 -66.0 -38.3 -45.6 50.3 3.3 28 241 A K T 45S+ 0 0 189 -19,-0.5 -1,-0.2 1,-0.2 -18,-0.1 0.832 124.5 18.3 -59.0 -39.7 -43.0 52.8 2.1 29 242 A T T 45S- 0 0 70 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.554 90.3-130.8-111.2 -12.5 -41.6 50.5 -0.6 30 243 A C T <5 + 0 0 104 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.743 65.0 135.0 57.4 26.4 -44.4 47.9 -1.2 31 244 A K E < -B 26 0A 151 -5,-0.5 -5,-2.6 1,-0.1 -1,-0.2 -0.745 59.0-102.2-106.8 154.9 -41.6 45.3 -0.9 32 245 A K E +B 25 0A 110 -2,-0.3 43,-0.5 -7,-0.2 2,-0.3 -0.437 38.4 173.4 -77.4 142.5 -41.7 42.0 1.0 33 246 A V E -BC 24 74A 2 -9,-2.5 -9,-1.8 41,-0.2 2,-0.4 -0.891 27.6-123.6-136.2 167.5 -40.0 41.5 4.3 34 247 A A E -BC 23 73A 10 39,-2.7 39,-3.4 -2,-0.3 2,-0.6 -0.954 18.9-155.8-113.4 140.4 -39.9 38.7 6.8 35 248 A I E -BC 22 72A 0 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.944 2.0-155.8-121.4 114.1 -40.9 39.3 10.4 36 249 A K E -BC 21 71A 70 35,-3.1 35,-3.0 -2,-0.6 2,-0.6 -0.770 9.8-158.5 -87.2 123.4 -39.6 37.0 13.1 37 250 A I E -BC 20 70A 18 -17,-2.9 -17,-1.2 -2,-0.5 2,-0.6 -0.927 7.5-171.8-106.0 122.2 -41.8 36.9 16.1 38 251 A I E - C 0 69A 40 31,-2.0 31,-2.6 -2,-0.6 2,-0.2 -0.959 20.7-134.0-114.6 117.4 -40.3 35.8 19.4 39 252 A S E C 0 68A 84 -2,-0.6 29,-0.1 29,-0.2 28,-0.0 -0.478 360.0 360.0 -71.9 138.2 -42.7 35.3 22.3 40 253 A K 0 0 137 27,-0.5 -1,-0.1 -2,-0.2 27,-0.0 -0.692 360.0 360.0 -81.8 360.0 -41.7 36.8 25.6 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 42 270 A V > 0 0 57 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.0 -32.7 39.3 22.2 43 271 A E H > + 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.898 360.0 45.4 -58.2 -42.1 -31.3 42.8 22.9 44 272 A T H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.813 108.8 55.9 -68.2 -37.0 -27.8 41.4 22.3 45 273 A E H > S+ 0 0 12 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.944 108.5 48.0 -62.1 -45.7 -28.9 39.6 19.2 46 274 A I H X S+ 0 0 7 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.944 111.5 49.1 -60.1 -48.8 -30.2 42.9 17.7 47 275 A E H X S+ 0 0 117 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.897 113.7 47.6 -60.2 -41.4 -27.0 44.7 18.6 48 276 A I H >X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 3,-0.8 0.965 112.1 48.3 -59.1 -54.2 -25.1 41.9 16.9 49 277 A L H 3< S+ 0 0 6 -4,-3.3 11,-0.4 1,-0.2 -2,-0.2 0.870 109.1 54.8 -57.8 -37.6 -27.3 41.9 13.8 50 278 A K H 3< S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 111.5 42.7 -64.8 -32.7 -27.0 45.7 13.4 51 279 A K H << S+ 0 0 110 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.686 94.6 89.5 -92.1 -18.9 -23.2 45.7 13.4 52 280 A L < - 0 0 10 -4,-1.5 2,-0.2 -5,-0.1 58,-0.0 -0.530 48.7-178.7 -81.0 147.5 -22.5 42.7 11.1 53 281 A N + 0 0 117 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.749 26.2 128.6-150.6 88.2 -22.3 43.3 7.3 54 282 A H > - 0 0 29 3,-0.4 3,-1.8 -2,-0.2 52,-0.0 -0.992 59.8-125.6-145.0 143.3 -21.7 40.2 5.2 55 283 A P T 3 S+ 0 0 39 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.714 111.6 49.9 -64.8 -16.7 -23.5 38.9 2.2 56 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.6 46,-0.1 2,-0.4 0.121 97.6 78.6-108.5 20.2 -24.1 35.5 3.9 57 285 A I B < S-e 138 0B 2 -3,-1.8 -3,-0.4 80,-0.3 82,-0.2 -0.999 88.3-110.5-129.3 126.6 -25.5 36.9 7.2 58 286 A I - 0 0 3 80,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.223 31.4-134.5 -57.0 140.5 -29.1 38.0 7.4 59 287 A K - 0 0 66 -4,-0.1 15,-1.3 -6,-0.1 2,-0.4 -0.819 9.4-130.5-100.8 141.6 -29.6 41.8 7.8 60 288 A I E +D 73 0A 18 -11,-0.4 13,-0.2 -2,-0.4 3,-0.1 -0.737 22.8 177.9 -89.6 137.4 -32.0 43.4 10.2 61 289 A K E - 0 0 102 11,-3.7 2,-0.3 1,-0.4 12,-0.2 0.689 64.5 -10.4-106.4 -32.1 -34.3 46.1 8.9 62 290 A N E -D 72 0A 40 10,-1.6 10,-2.6 2,-0.0 -1,-0.4 -0.978 53.2-150.3-165.2 165.0 -36.3 46.9 12.0 63 291 A F E -D 71 0A 47 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.989 5.3-172.0-150.5 131.9 -37.1 45.9 15.6 64 292 A F E -D 70 0A 23 6,-2.5 6,-2.7 -2,-0.3 2,-0.7 -0.990 7.5-162.8-130.8 123.5 -40.2 46.3 17.8 65 293 A D E +D 69 0A 82 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.900 44.0 122.0-105.0 99.0 -40.1 45.4 21.5 66 294 A A S S- 0 0 35 2,-2.3 3,-0.0 -2,-0.7 -64,-0.0 -0.096 84.6 -35.6-131.3-137.6 -43.8 45.1 22.5 67 295 A E S S+ 0 0 170 -2,-0.1 -27,-0.5 -28,-0.0 2,-0.3 0.888 139.9 11.2 -62.5 -35.4 -45.9 42.3 24.0 68 296 A D E S-C 39 0A 38 -29,-0.1 -2,-2.3 -4,-0.0 2,-0.4 -0.813 97.1 -98.1-125.2 169.3 -43.7 40.0 21.9 69 297 A Y E -CD 38 65A 50 -31,-2.6 -31,-2.0 -2,-0.3 2,-0.5 -0.760 31.2-161.5 -88.2 142.0 -40.4 40.9 20.0 70 298 A Y E -CD 37 64A 11 -6,-2.7 -6,-2.5 -2,-0.4 2,-0.6 -0.987 4.5-170.7-125.6 116.8 -40.7 41.6 16.3 71 299 A I E -CD 36 63A 3 -35,-3.0 -35,-3.1 -2,-0.5 2,-0.6 -0.944 11.3-152.8-109.0 114.9 -37.5 41.4 14.2 72 300 A V E +CD 35 62A 0 -10,-2.6 -11,-3.7 -2,-0.6 -10,-1.6 -0.808 25.3 169.2 -90.0 125.2 -38.0 42.6 10.7 73 301 A L E -CD 34 60A 12 -39,-3.4 -39,-2.7 -2,-0.6 -13,-0.2 -0.788 42.1 -83.4-127.8 163.8 -35.5 41.0 8.2 74 302 A E E -C 33 0A 47 -15,-1.3 2,-0.5 -2,-0.3 -41,-0.2 -0.458 53.6-112.1 -62.3 144.2 -34.9 40.7 4.5 75 303 A L - 0 0 33 -43,-0.5 2,-0.8 -2,-0.1 -1,-0.1 -0.756 21.9-156.0 -84.2 124.9 -37.1 38.0 3.0 76 304 A M > - 0 0 19 -2,-0.5 3,-1.5 1,-0.1 51,-0.2 -0.899 5.3-159.9-103.0 107.3 -35.2 35.0 1.8 77 305 A E T 3 S+ 0 0 105 51,-1.0 52,-0.2 -2,-0.8 51,-0.2 0.686 82.0 64.4 -62.0 -24.6 -37.6 33.5 -0.8 78 306 A G T 3 S- 0 0 11 49,-2.2 -1,-0.3 1,-0.2 50,-0.2 0.544 93.4-147.0 -81.0 -10.3 -36.0 30.0 -0.7 79 307 A G E < -F 127 0B 33 -3,-1.5 48,-2.9 48,-0.6 -1,-0.2 -0.321 42.9 -19.7 77.0-158.7 -36.9 29.3 2.9 80 308 A E E > -F 126 0B 59 46,-0.2 3,-0.9 1,-0.1 4,-0.4 -0.593 48.5-130.5 -90.2 146.7 -34.9 27.2 5.3 81 309 A L T >> S+ 0 0 0 44,-3.0 3,-1.8 41,-0.8 4,-0.9 0.828 103.7 73.9 -58.8 -32.9 -32.2 24.7 4.4 82 310 A F H >> S+ 0 0 70 40,-1.3 4,-1.2 43,-0.3 3,-1.2 0.891 90.5 55.8 -47.3 -43.1 -33.9 22.2 6.7 83 311 A D H <4 S+ 0 0 90 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.703 103.7 54.9 -70.9 -17.3 -36.7 21.8 4.2 84 312 A K H <4 S+ 0 0 74 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.652 117.7 33.1 -84.2 -17.7 -34.2 20.8 1.5 85 313 A V H << S+ 0 0 10 -3,-1.2 3,-0.4 -4,-0.9 -2,-0.2 0.424 89.7 112.2-119.5 -1.2 -32.7 17.9 3.6 86 314 A V S >< S+ 0 0 61 -4,-1.2 3,-1.3 1,-0.2 110,-0.0 -0.329 73.4 26.6 -75.3 157.3 -35.6 16.6 5.7 87 315 A G T 3 S- 0 0 66 1,-0.2 -1,-0.2 -2,-0.0 3,-0.1 0.893 135.4 -60.2 57.9 43.0 -37.1 13.1 5.1 88 316 A N T 3 S+ 0 0 128 -3,-0.4 -1,-0.2 107,-0.3 -2,-0.2 0.549 93.5 149.7 66.6 9.9 -33.8 11.7 3.7 89 317 A K < - 0 0 105 -3,-1.3 2,-0.4 -4,-0.1 -1,-0.2 -0.482 26.4-165.8 -71.2 142.8 -33.7 14.2 0.8 90 318 A R - 0 0 75 -2,-0.1 103,-0.1 -3,-0.1 2,-0.1 -0.999 14.4-124.9-141.3 144.5 -30.2 15.1 -0.2 91 319 A L - 0 0 20 101,-1.0 2,-0.0 -2,-0.4 -6,-0.0 -0.389 36.7 -94.6 -81.1 150.9 -28.6 17.7 -2.4 92 320 A K >> - 0 0 116 1,-0.1 4,-2.4 -2,-0.1 3,-0.7 -0.375 40.8-114.5 -56.3 143.1 -26.3 17.2 -5.4 93 321 A E H 3> S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 117.0 55.8 -52.8 -43.4 -22.7 17.4 -4.2 94 322 A A H 3> S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 108.6 47.7 -56.4 -40.3 -22.1 20.6 -6.2 95 323 A T H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 5,-0.3 0.895 109.2 53.6 -68.5 -42.2 -25.1 22.2 -4.4 96 324 A C H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.908 110.0 48.4 -54.9 -43.3 -23.7 21.1 -1.1 97 325 A K H X S+ 0 0 24 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 110.0 50.1 -68.3 -44.0 -20.4 22.7 -1.9 98 326 A L H X S+ 0 0 5 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.923 116.9 41.3 -60.0 -44.7 -21.9 26.0 -3.0 99 327 A Y H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.911 115.2 50.1 -71.0 -41.7 -24.0 26.3 0.2 100 328 A F H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.890 105.6 56.5 -68.4 -39.4 -21.2 25.0 2.4 101 329 A Y H X S+ 0 0 25 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 109.9 46.0 -52.5 -47.7 -18.7 27.5 1.0 102 330 A Q H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.835 109.8 52.9 -66.8 -38.6 -21.0 30.3 1.9 103 331 A M H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.914 110.6 50.1 -60.2 -41.7 -21.7 29.0 5.4 104 332 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.909 109.6 49.2 -63.6 -45.6 -17.9 28.9 5.8 105 333 A L H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.896 113.0 48.5 -55.2 -45.1 -17.5 32.5 4.7 106 334 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 115.1 42.5 -62.5 -49.8 -20.3 33.6 7.1 107 335 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.856 111.5 55.0 -72.6 -34.5 -18.8 31.8 10.1 108 336 A Q H X S+ 0 0 38 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.942 108.6 49.7 -57.4 -43.4 -15.3 32.9 9.2 109 337 A Y H X S+ 0 0 39 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.925 109.8 51.5 -62.0 -44.9 -16.6 36.5 9.2 110 338 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.4 0.956 111.7 45.3 -53.4 -52.8 -18.3 35.9 12.7 111 339 A H H ><5S+ 0 0 12 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.881 110.1 54.2 -66.8 -37.1 -15.1 34.5 14.3 112 340 A E H 3<5S+ 0 0 124 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.849 110.9 48.3 -58.3 -35.5 -13.0 37.3 12.8 113 341 A N T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.245 122.8-106.0 -93.2 12.7 -15.4 39.7 14.4 114 342 A G T < 5S+ 0 0 17 -3,-1.6 33,-3.2 1,-0.2 2,-0.4 0.793 78.6 127.7 73.6 29.2 -15.3 38.0 17.8 115 343 A I E < -H 146 0C 0 -5,-2.5 2,-0.5 31,-0.2 -1,-0.2 -0.978 41.3-164.0-120.0 129.5 -18.8 36.4 17.5 116 344 A I E -H 145 0C 2 29,-2.7 29,-2.2 -2,-0.4 62,-0.1 -0.942 7.7-157.1-107.9 132.0 -19.6 32.7 18.1 117 345 A H - 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0 0 57 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.426 18.8-137.1 -74.7 145.9 -27.6 12.8 10.6 198 426 A P S S+ 0 0 0 0, 0.0 20,-2.6 0, 0.0 2,-0.5 0.829 93.5 37.6 -68.5 -31.5 -24.2 11.5 11.7 199 427 A F S S+ 0 0 20 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.978 79.2 124.8-125.0 122.1 -25.3 11.0 15.3 200 428 A S - 0 0 27 -2,-0.5 11,-0.0 2,-0.1 18,-0.0 -0.982 62.4-114.2-163.6 171.1 -28.8 9.8 16.1 201 429 A E > + 0 0 129 -2,-0.3 3,-0.8 4,-0.0 2,-0.3 0.401 68.7 128.1 -95.7 8.5 -30.7 7.2 18.0 202 430 A H T 3 S- 0 0 132 1,-0.3 -2,-0.1 3,-0.0 3,-0.1 -0.462 88.6 -22.0 -71.9 123.8 -32.1 5.6 14.9 203 431 A R T 3 S+ 0 0 227 -2,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.896 111.4 110.2 38.9 61.2 -31.5 1.8 14.8 204 432 A T < - 0 0 64 -3,-0.8 -1,-0.1 1,-0.1 0, 0.0 -0.972 59.3-150.2-156.4 155.1 -28.6 1.9 17.3 205 433 A Q S S+ 0 0 194 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.592 72.6 94.4 -94.7 -17.2 -27.7 0.8 20.8 206 434 A V S S- 0 0 73 1,-0.1 5,-0.0 2,-0.0 -2,-0.0 -0.616 82.0-114.1 -85.2 132.8 -25.1 3.5 21.5 207 435 A S > - 0 0 46 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.244 21.1-117.2 -63.3 156.6 -26.4 6.5 23.3 208 436 A L H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 115.5 52.8 -58.5 -44.1 -26.4 9.9 21.4 209 437 A K H > S+ 0 0 146 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.913 110.5 46.6 -57.0 -49.0 -24.0 11.4 24.0 210 438 A D H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 6,-0.4 0.867 109.9 53.4 -62.6 -40.4 -21.5 8.5 23.6 211 439 A Q H X>S+ 0 0 11 -4,-2.3 5,-1.2 2,-0.2 4,-1.0 0.956 114.5 43.0 -58.0 -48.0 -21.7 8.6 19.8 212 440 A I H ><5S+ 0 0 62 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.942 114.4 45.5 -67.6 -52.1 -20.8 12.3 19.9 213 441 A T H 3<5S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 116.0 47.3 -67.1 -26.6 -18.0 12.3 22.6 214 442 A S H 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.696 105.6-133.4 -80.5 -18.7 -16.3 9.3 21.0 215 443 A G T <<5 + 0 0 13 -4,-1.0 2,-1.5 -3,-0.6 -3,-0.2 0.584 55.5 146.2 75.4 12.4 -16.7 11.0 17.6 216 444 A K < - 0 0 154 -5,-1.2 -1,-0.2 -6,-0.4 -2,-0.1 -0.636 28.7-170.8 -90.4 87.0 -18.0 7.8 16.1 217 445 A Y - 0 0 55 -2,-1.5 2,-0.9 22,-0.1 -18,-0.2 -0.358 34.4 -97.5 -70.5 155.9 -20.5 8.9 13.5 218 446 A N - 0 0 69 -20,-2.6 2,-0.7 -21,-0.1 -1,-0.1 -0.660 42.6-165.7 -77.2 105.0 -22.8 6.5 11.7 219 447 A F - 0 0 86 -2,-0.9 -1,-0.0 4,-0.0 -3,-0.0 -0.846 9.2-174.1 -98.9 115.4 -21.1 5.7 8.4 220 448 A I >> - 0 0 49 -2,-0.7 4,-1.7 1,-0.2 3,-1.0 -0.877 10.9-159.0-109.6 103.0 -23.3 3.9 5.8 221 449 A P H 3> S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.816 86.3 57.5 -49.9 -39.5 -21.1 3.0 2.8 222 450 A E H 34 S+ 0 0 141 1,-0.2 4,-0.3 2,-0.2 -2,-0.0 0.838 108.7 44.4 -65.8 -38.2 -24.0 2.7 0.3 223 451 A V H <4 S+ 0 0 36 -3,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.887 118.6 45.5 -68.9 -38.0 -25.3 6.2 0.9 224 452 A W H >< S+ 0 0 10 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.622 86.2 88.1 -85.2 -15.6 -21.7 7.6 0.7 225 453 A A T 3< S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.828 90.7 48.6 -56.7 -34.7 -20.4 5.7 -2.4 226 454 A E T 3 S+ 0 0 141 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.3 0.580 96.5 87.7 -82.9 -11.2 -21.7 8.4 -4.7 227 455 A V S < S- 0 0 19 -3,-1.6 -33,-0.0 -4,-0.1 -34,-0.0 -0.657 87.4-103.6 -86.1 144.0 -20.1 11.2 -2.7 228 456 A S > - 0 0 41 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.279 17.3-124.0 -65.2 150.1 -16.5 12.2 -3.4 229 457 A E H > S+ 0 0 181 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.857 111.7 56.4 -53.3 -41.9 -13.5 11.2 -1.2 230 458 A K H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.865 104.8 50.6 -61.0 -42.6 -12.6 15.0 -0.8 231 459 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 113.2 45.2 -63.9 -44.0 -16.0 15.9 0.6 232 460 A L H X S+ 0 0 25 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.869 107.9 58.3 -68.4 -37.5 -15.9 13.1 3.2 233 461 A D H X S+ 0 0 59 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.904 106.9 48.2 -56.9 -44.6 -12.3 14.1 4.1 234 462 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 3,-0.4 0.931 109.4 52.6 -59.2 -47.9 -13.5 17.6 5.0 235 463 A V H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.9 0.935 108.0 51.9 -53.4 -47.7 -16.4 16.2 7.0 236 464 A K H 3< S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 107.2 51.9 -58.7 -32.8 -13.9 14.1 8.9 237 465 A K H 3< S+ 0 0 71 -4,-1.4 10,-2.3 -3,-0.4 3,-0.3 0.673 113.1 45.2 -79.8 -17.9 -11.6 17.1 9.7 238 466 A L H << S+ 0 0 0 -4,-1.2 2,-0.7 -3,-0.9 -52,-0.2 0.754 104.6 61.5 -92.7 -32.1 -14.6 19.0 11.1 239 467 A L S < S+ 0 0 9 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.2 -0.312 74.3 136.4 -91.8 50.0 -16.0 16.1 13.2 240 468 A V - 0 0 42 -2,-0.7 6,-0.2 -3,-0.3 -25,-0.1 -0.860 51.6-144.7-101.7 130.1 -12.8 15.9 15.3 241 469 A V S S+ 0 0 68 -2,-0.5 -1,-0.1 -27,-0.1 -26,-0.1 0.847 82.2 76.4 -67.2 -37.4 -13.5 15.5 19.0 242 470 A D S >> S- 0 0 86 1,-0.2 4,-2.1 2,-0.0 3,-0.9 -0.644 70.9-154.2 -77.9 113.0 -10.5 17.6 20.2 243 471 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 0.807 93.4 56.0 -64.0 -24.4 -11.5 21.2 19.7 244 472 A K T 34 S+ 0 0 100 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.805 113.5 40.2 -73.7 -28.4 -7.8 22.3 19.4 245 473 A A T <4 S+ 0 0 59 -3,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.737 92.2 108.6 -89.2 -23.4 -7.2 19.8 16.6 246 474 A R S < S- 0 0 22 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.165 82.4 -95.5 -53.9 139.7 -10.6 20.5 14.8 247 475 A F - 0 0 35 -10,-2.3 -1,-0.1 -13,-0.1 2,-0.1 -0.342 35.8-140.6 -54.8 137.4 -10.4 22.4 11.5 248 476 A T > - 0 0 50 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.407 31.8 -99.9 -83.2 171.7 -11.0 26.1 11.7 249 477 A T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 125.9 54.3 -61.3 -37.4 -13.0 27.9 9.1 250 478 A E H > S+ 0 0 67 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.915 109.5 46.9 -61.3 -43.5 -9.7 29.1 7.5 251 479 A E H > S+ 0 0 70 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.902 112.5 49.5 -64.4 -43.0 -8.5 25.4 7.3 252 480 A A H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 6,-0.3 0.911 108.3 53.1 -62.3 -43.5 -11.8 24.3 5.8 253 481 A L H 3< S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.750 110.6 48.9 -64.9 -21.5 -11.7 27.1 3.2 254 482 A R H 3< S+ 0 0 172 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.528 86.4 116.1 -92.2 -5.7 -8.2 25.9 2.2 255 483 A H S X< S- 0 0 7 -3,-1.3 3,-1.9 -4,-0.5 4,-0.4 -0.301 78.5-115.4 -66.4 146.2 -9.3 22.2 1.9 256 484 A P G > S+ 0 0 68 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.828 112.4 64.9 -48.2 -38.1 -9.1 20.6 -1.6 257 485 A W G 3 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.811 103.6 46.5 -59.3 -29.1 -12.9 20.1 -1.7 258 486 A L G < S+ 0 0 0 -3,-1.9 2,-1.9 -6,-0.3 -1,-0.3 0.461 82.1 96.7 -95.3 -1.1 -13.3 23.9 -1.7 259 487 A Q < + 0 0 108 -3,-1.7 2,-0.5 -4,-0.4 -1,-0.1 -0.585 53.4 137.5 -84.9 74.2 -10.7 24.6 -4.4 260 488 A D > - 0 0 44 -2,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.907 38.2-170.8-134.1 98.2 -13.4 24.7 -7.0 261 489 A E H > S+ 0 0 170 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.862 89.1 50.6 -58.1 -41.7 -13.1 27.5 -9.6 262 490 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 110.4 48.4 -67.0 -44.6 -16.6 26.8 -11.0 263 491 A M H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.934 112.8 48.5 -58.3 -44.4 -18.3 26.9 -7.7 264 492 A K H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 108.9 53.5 -69.0 -37.3 -16.6 30.2 -6.7 265 493 A R H X S+ 0 0 158 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.925 107.2 51.9 -57.3 -48.1 -17.5 31.7 -10.0 266 494 A K H X S+ 0 0 77 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.890 110.2 48.3 -53.6 -46.5 -21.2 30.8 -9.4 267 495 A F H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.951 111.7 49.0 -62.6 -49.1 -21.1 32.4 -5.9 268 496 A Q H X S+ 0 0 92 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.892 111.7 50.2 -56.4 -42.3 -19.5 35.6 -7.4 269 497 A D H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.901 110.6 49.4 -62.4 -43.8 -22.2 35.7 -10.1 270 498 A L H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.862 109.7 51.0 -65.1 -40.3 -25.0 35.3 -7.6 271 499 A L H X S+ 0 0 24 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.931 110.1 50.2 -56.9 -49.9 -23.5 38.1 -5.4 272 500 A S H < S+ 0 0 85 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.911 109.6 50.3 -56.5 -48.9 -23.4 40.5 -8.5 273 501 A E H < S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 107.8 54.6 -58.5 -37.9 -27.0 39.7 -9.4 274 502 A E H < S+ 0 0 60 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.861 92.8 89.8 -63.4 -38.9 -28.2 40.5 -5.8 275 503 A N < - 0 0 99 -4,-1.5 2,-0.3 -3,-0.3 -4,-0.0 -0.329 50.2-169.5 -80.4 142.9 -26.6 44.0 -5.6 276 504 A E + 0 0 186 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.1 -0.625 28.4 175.8-122.9 67.6 -28.2 47.4 -6.5 277 505 A S - 0 0 106 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.227 27.8-116.3 -84.2 163.2 -25.2 49.8 -6.4 278 506 A T - 0 0 125 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 -0.355 46.5 -79.3 -81.7 168.7 -24.9 53.4 -7.3 279 507 A A - 0 0 101 -2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.268 53.0-154.6 -57.7 155.9 -22.7 54.8 -10.1 280 508 A L - 0 0 134 -3,-0.1 2,-0.1 2,-0.1 -1,-0.0 -0.971 23.8 -84.5-137.1 158.5 -19.1 55.0 -9.1 281 509 A P 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.411 360.0 360.0 -64.8 138.8 -16.0 57.1 -10.1 282 510 A Q 0 0 238 -2,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.482 360.0 360.0 64.6 360.0 -14.1 55.8 -13.2