==== 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 4BDA . 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 . 284 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 68.7 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.4 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 2 2 1 1 1 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 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 1 209 A M 0 0 161 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.8 -57.1 36.9 20.6 2 210 A S - 0 0 118 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.929 360.0-121.9-162.6 177.9 -54.7 40.0 20.4 3 211 A V - 0 0 125 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.836 25.1-106.0-126.6 168.3 -53.5 42.9 18.1 4 212 A Y - 0 0 67 -2,-0.3 10,-0.0 1,-0.1 0, 0.0 -0.669 51.7 -89.9 -88.4 149.9 -50.2 44.2 16.6 5 213 A P >> - 0 0 28 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.268 28.5-123.3 -63.5 145.7 -48.7 47.4 18.1 6 214 A K H 3> S+ 0 0 168 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.840 111.6 59.0 -54.5 -37.9 -49.8 50.7 16.6 7 215 A A H 3> S+ 0 0 57 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.844 110.3 41.4 -61.7 -39.8 -46.0 51.5 15.9 8 216 A L H X> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 3,-1.2 0.956 113.2 53.1 -68.7 -54.9 -45.6 48.3 13.7 9 217 A R H 3< S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.743 102.6 60.6 -53.1 -31.7 -49.1 48.8 12.0 10 218 A D H 3< S+ 0 0 125 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.874 118.8 25.4 -64.9 -42.3 -48.1 52.4 11.1 11 219 A E H << S+ 0 0 72 -3,-1.2 18,-2.7 -4,-0.7 19,-0.5 0.685 123.9 42.0 -94.2 -29.4 -45.1 51.2 9.0 12 220 A Y E < -A 28 0A 5 -4,-2.7 2,-0.6 16,-0.2 16,-0.2 -0.947 59.3-142.2-129.3 150.4 -46.1 47.6 7.9 13 221 A I E -A 27 0A 89 14,-2.1 14,-1.9 -2,-0.3 2,-0.2 -0.953 35.4-136.4-103.7 114.5 -49.1 45.6 6.7 14 222 A M E +A 26 0A 33 -2,-0.6 12,-0.2 12,-0.2 2,-0.2 -0.487 31.5 166.4 -77.9 144.9 -48.9 42.2 8.4 15 223 A S E - 0 0 46 10,-2.9 -1,-0.1 1,-0.2 11,-0.0 -0.431 34.6 -15.4-134.3-154.9 -49.5 39.0 6.4 16 224 A K E - 0 0 69 8,-0.2 9,-3.2 -2,-0.2 -1,-0.2 -0.048 64.1 -99.8 -57.9 150.9 -49.1 35.1 6.5 17 225 A T E +A 24 0A 64 7,-0.3 7,-0.3 1,-0.1 3,-0.1 -0.521 33.1 179.0 -71.1 131.2 -47.0 32.9 8.8 18 226 A L E S+ 0 0 93 5,-3.8 2,-0.3 1,-0.4 6,-0.2 0.759 74.0 9.8-100.7 -38.2 -43.7 31.8 7.2 19 227 A G E A 23 0A 21 4,-1.7 4,-3.6 1,-0.1 -1,-0.4 -0.988 360.0 360.0-146.6 134.2 -42.3 29.9 10.2 20 228 A S 0 0 140 -2,-0.3 -1,-0.1 2,-0.2 4,-0.0 0.540 360.0 360.0-131.6 360.0 -44.1 28.9 13.4 21 ! 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 22 233 A E 0 0 84 0, 0.0 17,-3.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 116.1 -42.8 32.9 15.1 23 234 A V E -AB 19 38A 40 -4,-3.6 -5,-3.8 15,-0.2 -4,-1.7 -0.966 360.0-175.6-120.4 120.1 -42.0 34.5 11.6 24 235 A K E -AB 17 37A 33 13,-3.1 13,-3.5 -2,-0.5 2,-0.3 -0.806 26.4-117.1-114.0 156.7 -44.7 36.4 9.5 25 236 A L E + B 0 36A 22 -9,-3.2 -10,-2.9 -2,-0.3 2,-0.3 -0.655 40.5 171.9 -84.4 142.9 -44.6 37.9 6.0 26 237 A A E -AB 14 35A 0 9,-2.1 9,-3.3 -2,-0.3 2,-0.4 -0.955 27.6-131.0-147.6 164.9 -45.2 41.7 5.9 27 238 A F E -AB 13 34A 71 -14,-1.9 -14,-2.1 -2,-0.3 2,-0.4 -0.986 20.4-129.1-121.3 129.0 -45.1 44.6 3.5 28 239 A E E > -A 12 0A 35 5,-2.6 4,-2.7 -2,-0.4 5,-0.4 -0.668 16.8-146.8 -75.0 124.3 -43.4 47.9 4.2 29 240 A R T 4 S+ 0 0 124 -18,-2.7 -1,-0.2 -2,-0.4 -17,-0.1 0.866 93.5 57.1 -59.1 -40.5 -46.0 50.6 3.4 30 241 A K T 4 S+ 0 0 134 -19,-0.5 -1,-0.2 1,-0.2 -18,-0.1 0.829 125.8 15.6 -59.3 -42.7 -43.3 53.1 2.1 31 242 A T T 4 S- 0 0 69 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.604 90.3-130.1-109.9 -22.6 -41.9 50.8 -0.6 32 243 A C < + 0 0 100 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.654 60.9 145.6 71.6 20.3 -44.6 48.1 -0.9 33 244 A K - 0 0 143 -5,-0.4 -5,-2.6 1,-0.1 -1,-0.3 -0.635 54.8-109.1 -91.5 145.2 -41.7 45.6 -0.6 34 245 A K E +B 27 0A 71 -2,-0.3 44,-0.5 -7,-0.2 2,-0.3 -0.521 41.3 176.2 -72.8 137.3 -42.0 42.2 1.1 35 246 A V E -B 26 0A 2 -9,-3.3 -9,-2.1 -2,-0.2 2,-0.4 -0.860 27.9-120.0-132.9 168.3 -40.3 41.9 4.5 36 247 A A E -BC 25 76A 7 40,-2.9 40,-3.4 -2,-0.3 2,-0.5 -0.953 21.1-159.4-113.4 132.4 -40.0 39.2 7.2 37 248 A I E -BC 24 75A 0 -13,-3.5 -13,-3.1 -2,-0.4 2,-0.5 -0.943 1.9-158.2-118.1 112.6 -41.2 39.9 10.8 38 249 A K E -BC 23 74A 27 36,-3.1 36,-2.6 -2,-0.5 2,-0.5 -0.774 7.5-156.7 -88.5 118.3 -40.0 37.7 13.7 39 250 A I E - C 0 73A 26 -17,-3.6 2,-0.5 -2,-0.5 34,-0.2 -0.892 9.0-172.3 -99.5 118.0 -42.3 37.8 16.8 40 251 A I E - C 0 72A 36 32,-2.5 32,-3.0 -2,-0.5 2,-0.1 -0.977 22.6-126.5-113.9 119.8 -40.5 36.9 20.1 41 252 A S E C 0 71A 101 -2,-0.5 30,-0.2 30,-0.2 29,-0.0 -0.353 360.0 360.0 -67.8 143.3 -42.8 36.4 23.2 42 253 A K 0 0 133 28,-0.6 29,-0.1 -2,-0.1 -1,-0.1 0.877 360.0 360.0 -93.3 360.0 -42.0 38.4 26.4 43 ! 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 44 269 A N > 0 0 143 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.5 -31.0 38.4 25.1 45 270 A V H > + 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.836 360.0 56.8 -73.4 -31.4 -33.1 40.0 22.3 46 271 A E H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.840 108.4 45.1 -65.8 -39.1 -31.2 43.3 23.0 47 272 A T H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.879 110.7 54.1 -71.3 -41.6 -27.8 41.5 22.4 48 273 A E H X S+ 0 0 10 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.909 111.2 45.3 -59.5 -44.8 -29.2 39.8 19.2 49 274 A I H X S+ 0 0 23 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.900 112.4 51.9 -64.5 -44.7 -30.2 43.3 17.8 50 275 A E H X S+ 0 0 65 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.904 113.8 44.0 -58.4 -45.4 -26.8 44.8 18.9 51 276 A I H >X S+ 0 0 10 -4,-2.8 4,-1.9 1,-0.2 3,-0.7 0.987 113.4 49.7 -63.4 -59.8 -25.0 41.9 17.0 52 277 A L H 3< S+ 0 0 5 -4,-2.9 11,-0.3 1,-0.2 -2,-0.2 0.773 109.9 52.0 -47.7 -42.6 -27.3 42.1 13.9 53 278 A K H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.0 44.6 -65.5 -41.2 -26.8 45.9 13.6 54 279 A K H << S+ 0 0 82 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.821 97.9 87.3 -74.9 -34.4 -23.0 45.8 13.7 55 280 A L < + 0 0 12 -4,-1.9 2,-0.2 -5,-0.1 58,-0.0 -0.413 48.2 175.9 -73.0 142.2 -22.6 42.8 11.2 56 281 A N + 0 0 115 -2,-0.1 5,-0.1 6,-0.1 6,-0.1 -0.687 26.1 125.3-149.6 88.0 -22.5 43.4 7.5 57 282 A H > - 0 0 32 3,-0.4 3,-1.6 -2,-0.2 52,-0.0 -0.985 60.2-125.8-141.5 142.0 -21.9 40.3 5.3 58 283 A P T 3 S+ 0 0 40 0, 0.0 4,-0.1 0, 0.0 51,-0.0 0.652 111.2 52.5 -65.4 -15.5 -24.0 39.0 2.4 59 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.1 81,-0.1 2,-0.4 0.180 98.6 76.3-105.4 17.2 -24.3 35.6 4.0 60 285 A I B < S-e 141 0B 3 -3,-1.6 -3,-0.4 80,-0.3 82,-0.2 -0.998 89.6-109.0-127.2 125.2 -25.6 37.0 7.4 61 286 A I - 0 0 3 80,-2.3 2,-0.4 -2,-0.4 -6,-0.1 -0.107 30.3-136.2 -51.2 140.6 -29.3 38.3 7.8 62 287 A K - 0 0 57 -4,-0.1 15,-1.3 -6,-0.1 2,-0.4 -0.841 7.2-132.2-106.6 139.6 -29.8 42.1 8.1 63 288 A I E +D 76 0A 32 -2,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.758 21.3 179.9 -89.4 134.7 -32.1 43.7 10.6 64 289 A K E - 0 0 113 11,-3.6 2,-0.3 1,-0.4 12,-0.2 0.656 63.6 -13.4-105.9 -30.0 -34.4 46.4 9.0 65 290 A N E -D 75 0A 41 10,-1.4 10,-2.7 2,-0.0 -1,-0.4 -0.968 54.4-144.5-168.7 162.4 -36.4 47.5 12.1 66 291 A F E -D 74 0A 61 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -1.000 4.4-167.8-145.1 138.5 -37.2 46.7 15.7 67 292 A F E -D 73 0A 23 6,-2.7 6,-2.9 -2,-0.3 2,-0.8 -0.990 5.4-163.9-129.4 118.0 -40.4 47.1 17.9 68 293 A D E +D 72 0A 101 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.880 44.2 122.6-103.5 92.2 -40.2 46.6 21.8 69 294 A A S S- 0 0 32 2,-1.9 3,-0.0 -2,-0.8 -2,-0.0 -0.047 85.9 -42.0-123.1-137.8 -43.9 46.2 22.8 70 295 A E S S+ 0 0 86 -2,-0.1 -28,-0.6 -28,-0.1 2,-0.3 0.690 138.7 18.7 -72.4 -17.9 -45.9 43.5 24.6 71 296 A D E S-C 41 0A 48 -30,-0.2 -2,-1.9 -29,-0.1 2,-0.4 -0.900 97.4-100.7-141.1 159.7 -43.8 41.2 22.4 72 297 A Y E -CD 40 68A 63 -32,-3.0 -32,-2.5 -2,-0.3 2,-0.5 -0.774 31.8-161.3 -88.0 132.8 -40.5 41.8 20.5 73 298 A Y E -CD 39 67A 11 -6,-2.9 -6,-2.7 -2,-0.4 2,-0.5 -0.983 5.4-171.9-119.2 117.1 -40.9 42.5 16.7 74 299 A I E -CD 38 66A 0 -36,-2.6 -36,-3.1 -2,-0.5 2,-0.6 -0.970 10.8-153.4-111.9 115.0 -37.7 42.1 14.6 75 300 A V E +CD 37 65A 0 -10,-2.7 -11,-3.6 -2,-0.5 -10,-1.4 -0.809 26.6 169.4 -90.9 119.2 -38.1 43.2 11.0 76 301 A L E -CD 36 63A 13 -40,-3.4 -40,-2.9 -2,-0.6 -13,-0.2 -0.796 41.4 -78.7-125.8 169.3 -35.7 41.3 8.7 77 302 A E - 0 0 42 -15,-1.3 2,-0.3 -2,-0.3 -42,-0.1 -0.425 53.4-112.5 -65.9 138.0 -35.0 40.8 5.0 78 303 A L - 0 0 33 -44,-0.5 2,-0.7 -2,-0.1 -1,-0.1 -0.630 22.7-157.9 -77.7 132.8 -37.4 38.2 3.5 79 304 A M > - 0 0 18 -2,-0.3 3,-1.4 1,-0.1 51,-0.2 -0.921 5.4-169.2-112.6 95.3 -35.7 34.9 2.4 80 305 A E T 3 S+ 0 0 133 51,-0.9 52,-0.2 -2,-0.7 51,-0.2 0.798 80.6 61.1 -56.3 -35.6 -38.1 33.5 -0.2 81 306 A G T 3 S- 0 0 10 49,-1.3 -1,-0.3 1,-0.2 50,-0.2 0.627 95.8-152.5 -68.6 -17.2 -36.5 30.1 -0.4 82 307 A G E < -F 130 0B 23 -3,-1.4 48,-2.9 48,-0.7 2,-0.2 -0.373 41.9 -10.9 79.2-155.4 -37.2 29.5 3.3 83 308 A E E > -F 129 0B 61 46,-0.2 3,-0.9 1,-0.1 4,-0.4 -0.583 49.6-135.2 -83.6 145.3 -35.2 27.3 5.6 84 309 A L T >> S+ 0 0 0 44,-3.0 3,-1.5 41,-0.9 4,-0.6 0.793 103.0 73.9 -65.1 -27.4 -32.5 24.8 4.5 85 310 A F H >> S+ 0 0 70 40,-1.3 4,-1.4 43,-0.3 3,-1.3 0.857 88.5 58.6 -50.0 -44.8 -34.2 22.3 6.9 86 311 A D H <4 S+ 0 0 83 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.729 104.1 52.1 -60.6 -25.5 -37.1 21.9 4.4 87 312 A K H <4 S+ 0 0 73 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.571 118.0 34.9 -85.6 -15.3 -34.6 20.8 1.7 88 313 A V H << S+ 0 0 8 -3,-1.3 3,-0.4 -4,-0.6 4,-0.2 0.454 86.9 121.1-118.9 -8.2 -33.0 18.0 3.9 89 314 A V S >< S+ 0 0 60 -4,-1.4 3,-0.7 1,-0.2 110,-0.0 -0.330 74.5 12.0 -65.9 139.7 -36.0 16.7 6.0 90 315 A G T 3 S- 0 0 66 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.933 135.1 -50.5 58.2 57.7 -37.0 13.0 5.8 91 316 A N T 3 S+ 0 0 128 107,-0.8 -1,-0.2 -3,-0.4 2,-0.2 0.503 94.8 147.9 61.3 12.1 -34.0 11.5 4.0 92 317 A K < - 0 0 110 -3,-0.7 2,-0.4 -4,-0.2 -1,-0.2 -0.546 30.4-161.5 -72.2 135.1 -34.2 14.2 1.2 93 318 A R - 0 0 100 -2,-0.2 2,-0.2 -3,-0.1 103,-0.1 -0.948 14.7-130.7-127.7 150.7 -30.7 15.0 -0.1 94 319 A L - 0 0 23 101,-1.7 2,-0.1 -2,-0.4 -6,-0.0 -0.647 35.6-102.0 -91.9 148.0 -29.0 17.8 -2.0 95 320 A K >> - 0 0 130 -2,-0.2 4,-2.0 1,-0.1 3,-1.2 -0.435 37.3-110.5 -68.9 143.5 -26.8 17.2 -5.1 96 321 A E H 3> S+ 0 0 54 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.809 118.2 55.4 -43.3 -38.9 -23.0 17.5 -4.2 97 322 A A H 3> S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.845 108.5 47.2 -66.2 -37.0 -22.7 20.7 -6.2 98 323 A T H <> S+ 0 0 2 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.899 109.2 54.1 -71.3 -43.8 -25.6 22.4 -4.3 99 324 A C H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.885 110.6 48.5 -54.2 -44.8 -24.0 21.2 -0.9 100 325 A K H X S+ 0 0 25 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.945 111.1 48.0 -62.5 -52.1 -20.7 22.9 -2.0 101 326 A L H X S+ 0 0 5 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.869 118.7 39.8 -57.1 -45.8 -22.4 26.2 -3.0 102 327 A Y H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.919 116.3 50.5 -70.5 -47.1 -24.4 26.5 0.2 103 328 A F H X S+ 0 0 2 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.871 105.4 56.7 -58.6 -42.3 -21.5 25.2 2.4 104 329 A Y H X S+ 0 0 26 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.896 110.0 45.1 -55.8 -46.6 -19.0 27.7 0.9 105 330 A Q H X S+ 0 0 0 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.889 110.3 54.1 -64.8 -43.5 -21.3 30.6 1.9 106 331 A M H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.874 110.6 47.5 -58.7 -40.7 -21.9 29.1 5.4 107 332 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.900 112.4 48.5 -67.5 -43.8 -18.0 29.0 5.9 108 333 A L H X S+ 0 0 24 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 114.6 46.8 -60.1 -45.6 -17.7 32.6 4.6 109 334 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.953 116.5 42.1 -61.3 -53.1 -20.5 33.7 7.0 110 335 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.832 112.1 55.2 -66.6 -31.0 -19.0 31.8 10.0 111 336 A Q H X S+ 0 0 33 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.932 109.0 48.5 -65.9 -44.6 -15.5 32.9 9.1 112 337 A Y H X S+ 0 0 43 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.902 110.4 51.2 -56.7 -51.0 -16.7 36.6 9.2 113 338 A L H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 3,-0.4 0.912 113.0 44.9 -53.2 -52.0 -18.5 36.0 12.6 114 339 A H H ><5S+ 0 0 12 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.900 111.0 52.7 -64.0 -41.5 -15.3 34.5 14.2 115 340 A E H 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.759 112.7 47.7 -59.2 -31.0 -13.1 37.4 12.6 116 341 A N T 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.147 122.3-106.4 -98.8 12.0 -15.6 39.8 14.3 117 342 A G T < 5S+ 0 0 20 -3,-1.6 33,-3.0 1,-0.2 2,-0.4 0.727 77.1 128.7 66.9 33.7 -15.6 38.0 17.7 118 343 A I E < -H 149 0C 13 -5,-2.8 2,-0.5 31,-0.2 31,-0.2 -0.971 39.9-165.6-121.7 131.3 -19.0 36.3 17.5 119 344 A I E -H 148 0C 3 29,-2.1 29,-2.6 -2,-0.4 62,-0.1 -0.977 8.9-157.4-112.1 123.9 -19.8 32.6 18.1 120 345 A H - 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0 0 40 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.301 20.0-122.2 -67.9 154.3 -16.9 12.2 -3.4 232 457 A E H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.803 112.7 57.3 -64.3 -32.2 -13.9 11.3 -1.2 233 458 A K H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.931 105.9 47.7 -64.2 -50.4 -13.0 15.1 -0.9 234 459 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.912 114.2 47.3 -57.9 -47.8 -16.5 16.0 0.6 235 460 A L H X S+ 0 0 27 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.865 108.0 55.9 -62.9 -39.4 -16.2 13.1 3.1 236 461 A D H X S+ 0 0 58 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.907 107.3 49.4 -60.1 -41.5 -12.6 14.1 4.1 237 462 A L H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.913 110.7 49.5 -64.5 -42.6 -13.8 17.7 4.9 238 463 A V H >X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 3,-1.5 0.961 109.7 53.0 -55.8 -55.4 -16.7 16.3 7.1 239 464 A K H 3< S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.5 49.6 -48.2 -44.2 -14.1 14.0 8.9 240 465 A K H 3< S+ 0 0 76 -4,-1.9 10,-2.2 1,-0.2 -1,-0.3 0.602 114.8 43.4 -75.5 -16.6 -11.9 17.0 9.7 241 466 A L H << S+ 0 0 1 -3,-1.5 2,-0.4 -4,-0.9 -2,-0.2 0.750 104.4 63.8 -96.6 -33.9 -14.8 19.1 11.2 242 467 A L S < S+ 0 0 7 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.1 -0.096 74.9 135.7 -84.8 39.0 -16.2 16.1 13.1 243 468 A V - 0 0 41 -2,-0.4 6,-0.2 -3,-0.3 -25,-0.1 -0.757 51.5-147.4 -90.0 125.5 -13.0 16.0 15.2 244 469 A V S S+ 0 0 69 -2,-0.4 -1,-0.1 -27,-0.2 -26,-0.1 0.901 82.3 76.6 -59.5 -48.8 -13.7 15.5 19.0 245 470 A D S >> S- 0 0 90 1,-0.2 4,-2.2 2,-0.0 3,-0.9 -0.558 72.2-154.6 -68.2 110.4 -10.6 17.6 20.1 246 471 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.734 93.5 56.1 -61.7 -19.2 -11.6 21.3 19.6 247 472 A K T 34 S+ 0 0 102 1,-0.2 -2,-0.0 -65,-0.0 -3,-0.0 0.775 112.9 39.5 -82.6 -27.0 -7.9 22.3 19.2 248 473 A A T <4 S+ 0 0 58 -3,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.716 93.0 108.7 -89.4 -30.9 -7.4 19.8 16.4 249 474 A R S < S- 0 0 23 -4,-2.2 -8,-0.2 -6,-0.2 2,-0.1 -0.114 82.1 -95.4 -49.2 143.6 -10.8 20.5 14.7 250 475 A F - 0 0 33 -10,-2.2 2,-0.1 -13,-0.1 -1,-0.1 -0.367 35.8-142.3 -64.9 137.4 -10.7 22.4 11.3 251 476 A T > - 0 0 52 -3,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.400 32.4 -98.1 -87.9 176.9 -11.3 26.1 11.5 252 477 A T H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.861 126.3 52.9 -64.4 -36.0 -13.3 28.0 8.9 253 478 A E H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.895 110.4 45.9 -63.7 -46.1 -9.9 29.0 7.2 254 479 A E H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.835 113.2 50.2 -66.1 -38.1 -8.7 25.4 7.0 255 480 A A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 6,-0.3 0.943 111.2 48.7 -67.1 -45.0 -12.2 24.3 5.7 256 481 A L H 3< S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.756 111.1 50.6 -66.8 -25.7 -12.0 27.1 3.0 257 482 A R T 3< S+ 0 0 177 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.477 87.6 116.0 -86.7 -9.2 -8.4 26.0 2.0 258 483 A H S X> S- 0 0 5 -3,-1.4 3,-2.1 -4,-0.3 4,-0.6 -0.363 78.6-118.6 -61.4 140.5 -9.6 22.3 1.7 259 484 A P G >4 S+ 0 0 70 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.797 111.7 65.2 -49.9 -32.7 -9.4 20.7 -1.8 260 485 A W G 34 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.766 104.2 46.2 -61.7 -26.5 -13.3 20.2 -1.9 261 486 A L G <4 S+ 0 0 0 -3,-2.1 2,-1.9 -6,-0.3 -1,-0.2 0.553 82.9 95.9 -95.5 -5.8 -13.7 24.0 -1.9 262 487 A Q << + 0 0 106 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.1 -0.592 53.4 130.5 -85.1 70.9 -11.1 24.7 -4.6 263 488 A D > - 0 0 43 -2,-1.9 4,-2.0 1,-0.1 5,-0.1 -0.938 38.8-172.6-132.7 101.7 -13.8 24.8 -7.2 264 489 A E H > S+ 0 0 120 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.751 86.5 58.2 -68.9 -25.6 -13.7 27.9 -9.5 265 490 A D H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 108.9 43.2 -68.7 -47.5 -17.1 27.0 -11.1 266 491 A M H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.906 114.5 51.0 -65.3 -44.5 -18.9 27.0 -7.7 267 492 A K H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 110.1 49.6 -59.6 -42.5 -17.1 30.3 -6.7 268 493 A R H X S+ 0 0 126 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.922 108.8 52.8 -62.0 -47.4 -18.1 31.9 -10.1 269 494 A K H X S+ 0 0 35 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.857 110.6 47.8 -57.4 -39.4 -21.8 30.8 -9.5 270 495 A F H X S+ 0 0 6 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.927 111.6 48.1 -68.4 -46.7 -21.7 32.5 -6.0 271 496 A Q H X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.871 110.4 54.5 -60.2 -37.2 -20.2 35.8 -7.3 272 497 A D H X S+ 0 0 95 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.877 108.4 47.5 -59.9 -46.2 -22.8 35.7 -10.1 273 498 A L H X S+ 0 0 14 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.822 110.0 54.4 -66.6 -34.8 -25.6 35.5 -7.5 274 499 A L H X S+ 0 0 22 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.954 110.3 43.2 -62.2 -57.5 -24.1 38.3 -5.5 275 500 A S H X S+ 0 0 77 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.883 112.5 55.1 -57.7 -40.5 -24.0 40.8 -8.4 276 501 A E H < S+ 0 0 142 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.870 114.1 40.2 -58.8 -42.8 -27.5 39.7 -9.4 277 502 A E H >< S+ 0 0 68 -4,-1.8 3,-0.7 -3,-0.2 -2,-0.2 0.921 118.3 47.5 -70.9 -47.4 -28.7 40.5 -5.8 278 503 A N H >X S+ 0 0 75 -4,-3.0 4,-1.3 1,-0.2 3,-0.7 0.464 88.7 85.2 -75.1 -8.0 -26.6 43.8 -5.6 279 504 A E T 3< S+ 0 0 72 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.818 85.0 57.4 -64.4 -34.5 -27.7 45.2 -9.1 280 505 A S T <4 S+ 0 0 97 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.690 115.4 35.2 -68.1 -26.1 -30.9 46.7 -7.6 281 506 A T T <4 S+ 0 0 108 -3,-0.7 -2,-0.2 -4,-0.2 -1,-0.2 0.583 85.1 124.3-105.9 -16.8 -28.9 48.9 -5.1 282 507 A A < - 0 0 74 -4,-1.3 3,-0.1 1,-0.1 -3,-0.0 -0.294 45.0-156.7 -56.5 117.9 -25.7 49.7 -7.2 283 508 A L - 0 0 95 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.1 -0.648 33.1 -90.7 -91.6 149.4 -25.0 53.5 -7.4 284 509 A P - 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.271 52.0-141.4 -59.7 147.2 -22.8 54.8 -10.4 285 510 A Q - 0 0 173 -3,-0.1 2,-0.3 0, 0.0 -3,-0.0 -0.879 15.3 -99.4-124.7 156.5 -19.2 55.0 -9.5 286 511 A V 0 0 156 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.530 360.0 360.0 -66.1 118.3 -16.1 57.1 -10.0 287 512 A L 0 0 144 -2,-0.3 -1,-0.0 0, 0.0 0, 0.0 -0.872 360.0 360.0-108.9 360.0 -14.0 55.6 -12.8