==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-11 2YCR . 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.R.SELF,Y.POMMIER,R.H.SHO . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.0 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 . 40 14.2 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 . 0 0.0 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 . 36 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 1 1 0 0 2 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 0 2 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 1 211 A V 0 0 183 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.7 -53.1 42.6 18.0 2 212 A Y - 0 0 60 1,-0.1 2,-0.0 2,-0.1 10,-0.0 -0.461 360.0 -94.2 -66.8 148.3 -49.9 43.8 16.3 3 213 A P >> - 0 0 29 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.360 29.3-120.2 -69.1 152.1 -48.5 46.9 18.0 4 214 A K H 3> S+ 0 0 166 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.856 110.2 56.9 -59.9 -42.3 -49.4 50.3 16.5 5 215 A A H 3> S+ 0 0 59 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.836 111.5 44.2 -61.5 -32.3 -45.8 51.3 15.6 6 216 A L H X> S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 3,-1.2 0.942 112.1 50.2 -74.3 -51.0 -45.4 48.1 13.5 7 217 A R H 3< S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.834 103.1 65.3 -54.4 -32.8 -48.8 48.5 11.8 8 218 A D H 3< S+ 0 0 121 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.849 116.3 23.7 -57.6 -36.2 -47.8 52.1 11.1 9 219 A E H << S+ 0 0 73 -3,-1.2 19,-3.0 -4,-0.6 20,-0.5 0.658 123.9 42.6-107.2 -20.3 -45.0 50.9 8.8 10 220 A Y E < -A 27 0A 3 -4,-2.3 2,-0.5 17,-0.2 17,-0.2 -0.961 60.2-141.4-136.2 144.0 -46.0 47.5 7.6 11 221 A I E -A 26 0A 86 15,-2.3 15,-2.3 -2,-0.3 2,-0.2 -0.948 34.1-134.5-100.9 124.1 -49.1 45.5 6.5 12 222 A M E +A 25 0A 34 -2,-0.5 13,-0.2 13,-0.2 2,-0.1 -0.493 31.3 164.8 -88.4 149.8 -49.0 42.1 8.0 13 223 A S E - 0 0 51 11,-2.5 -1,-0.1 1,-0.2 12,-0.1 -0.312 35.5 -18.1-138.2-146.6 -49.7 38.9 6.0 14 224 A K E - 0 0 136 9,-0.1 10,-3.1 -2,-0.1 -1,-0.2 -0.209 62.2 -98.7 -79.9 157.9 -49.4 35.1 6.0 15 225 A T E -A 23 0A 72 8,-0.2 8,-0.3 1,-0.1 -1,-0.1 -0.507 29.1-177.1 -71.7 134.7 -47.2 32.7 8.2 16 226 A L E - 0 0 80 6,-3.2 2,-0.3 1,-0.3 7,-0.2 0.731 62.6 -40.8-101.7 -34.1 -44.1 31.5 6.4 17 227 A G E A 22 0A 25 5,-1.6 5,-1.8 64,-0.1 -1,-0.3 -0.931 360.0 360.0-167.1-167.2 -42.9 29.3 9.3 18 228 A S 0 0 122 -2,-0.3 3,-0.2 3,-0.3 19,-0.0 -0.877 360.0 360.0-155.5 360.0 -42.4 28.7 13.0 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 20 232 A G 0 0 67 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 144.8 -41.1 31.8 17.6 21 233 A E E - B 0 38A 64 17,-1.0 17,-3.4 -3,-0.2 2,-0.5 -0.887 360.0-144.1-170.3 141.7 -43.0 32.5 14.4 22 234 A V E -AB 17 37A 37 -5,-1.8 -6,-3.2 -2,-0.3 -5,-1.6 -0.965 19.8-173.6-119.8 126.5 -42.2 34.1 11.0 23 235 A K E -AB 15 36A 31 13,-2.4 13,-2.7 -2,-0.5 2,-0.3 -0.810 24.5-120.8-116.3 151.0 -44.7 36.2 9.0 24 236 A L E + B 0 35A 14 -10,-3.1 -11,-2.5 -2,-0.3 2,-0.3 -0.701 39.9 168.1 -81.1 142.6 -44.8 37.8 5.6 25 237 A A E -AB 12 34A 0 9,-2.0 9,-2.7 -2,-0.3 2,-0.4 -0.955 29.4-129.4-146.4 166.4 -45.4 41.6 5.6 26 238 A F E -AB 11 33A 68 -15,-2.3 -15,-2.3 -2,-0.3 2,-0.5 -0.981 20.4-129.5-119.8 132.4 -45.2 44.5 3.2 27 239 A E E >> -AB 10 32A 26 5,-2.6 4,-2.2 -2,-0.4 5,-0.6 -0.682 16.9-146.7 -77.4 126.3 -43.3 47.6 4.0 28 240 A R T 45S+ 0 0 120 -19,-3.0 -1,-0.2 -2,-0.5 -18,-0.1 0.927 92.5 55.6 -63.1 -46.3 -45.8 50.5 3.3 29 241 A K T 45S+ 0 0 188 -20,-0.5 -1,-0.2 1,-0.2 -19,-0.1 0.826 125.4 19.1 -52.8 -42.9 -43.1 52.9 2.1 30 242 A T T 45S- 0 0 67 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.532 90.7-131.4-109.0 -12.3 -41.7 50.7 -0.6 31 243 A C T <5 + 0 0 105 -4,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.806 63.7 134.3 57.0 33.3 -44.5 48.1 -1.2 32 244 A K E < -B 27 0A 149 -5,-0.6 -5,-2.6 1,-0.0 -1,-0.2 -0.831 59.6-101.4-115.3 150.9 -41.8 45.3 -1.0 33 245 A K E +B 26 0A 112 -2,-0.3 44,-0.5 -7,-0.2 2,-0.3 -0.427 39.6 172.7 -74.0 141.3 -42.0 42.1 1.0 34 246 A V E -BC 25 76A 2 -9,-2.7 -9,-2.0 42,-0.2 2,-0.4 -0.838 27.5-124.0-133.5 171.7 -40.3 41.6 4.3 35 247 A A E -BC 24 75A 7 40,-2.6 40,-2.9 -2,-0.3 2,-0.5 -0.948 17.7-155.8-118.0 143.0 -40.3 38.9 6.9 36 248 A I E -BC 23 74A 0 -13,-2.7 -13,-2.4 -2,-0.4 2,-0.5 -0.952 3.3-155.0-125.7 110.5 -41.2 39.6 10.5 37 249 A K E -BC 22 73A 58 36,-2.8 36,-2.8 -2,-0.5 2,-0.6 -0.732 8.4-156.3 -83.7 124.6 -39.9 37.2 13.2 38 250 A I E -BC 21 72A 16 -17,-3.4 -17,-1.0 -2,-0.5 2,-0.6 -0.931 8.3-171.6-104.6 118.5 -42.1 37.3 16.3 39 251 A I E - C 0 71A 37 32,-2.5 32,-2.6 -2,-0.6 -2,-0.0 -0.950 22.8-132.4-111.3 110.1 -40.3 36.2 19.4 40 252 A S 0 0 84 -2,-0.6 30,-0.1 30,-0.2 29,-0.0 -0.336 360.0 360.0 -67.4 145.7 -42.7 35.8 22.3 41 253 A K 0 0 125 28,-0.4 -1,-0.1 -2,-0.0 29,-0.0 -0.423 360.0 360.0 -85.0 360.0 -41.5 37.5 25.5 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 0 132 0, 0.0 4,-1.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -14.5 -30.8 38.6 25.2 44 270 A V H > + 0 0 20 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.852 360.0 56.6 -81.3 -35.9 -32.9 39.8 22.2 45 271 A E H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.868 109.9 45.5 -57.1 -41.5 -31.4 43.3 22.8 46 272 A T H > S+ 0 0 61 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.870 109.5 52.9 -69.4 -44.8 -28.0 41.7 22.4 47 273 A E H X S+ 0 0 14 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.941 111.4 48.0 -57.4 -45.1 -29.0 39.7 19.3 48 274 A I H X S+ 0 0 18 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.934 111.7 49.4 -59.1 -48.3 -30.2 43.0 17.7 49 275 A E H X S+ 0 0 63 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.878 113.1 47.3 -62.1 -41.0 -27.0 44.8 18.7 50 276 A I H >X S+ 0 0 6 -4,-3.0 4,-1.0 2,-0.2 3,-0.7 0.962 113.3 47.4 -63.1 -50.0 -24.9 42.0 17.2 51 277 A L H >< S+ 0 0 5 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.888 106.6 57.4 -66.0 -34.7 -26.9 41.9 14.0 52 278 A K H 3< S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.831 107.9 48.2 -61.3 -32.4 -26.8 45.6 13.5 53 279 A K H << S+ 0 0 110 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.2 0.673 94.2 90.2 -82.4 -17.1 -23.0 45.7 13.6 54 280 A L << - 0 0 12 -4,-1.0 2,-0.4 -3,-0.6 58,-0.0 -0.640 48.8-177.7 -90.7 138.5 -22.5 42.8 11.1 55 281 A N + 0 0 118 -2,-0.3 5,-0.1 6,-0.1 -3,-0.0 -0.816 29.5 125.7-136.3 90.2 -22.2 43.4 7.4 56 282 A H > - 0 0 27 3,-0.4 3,-1.9 -2,-0.4 -2,-0.0 -0.990 58.7-129.6-146.4 141.0 -21.8 40.3 5.3 57 283 A P T 3 S+ 0 0 39 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.743 109.7 50.8 -66.5 -19.3 -23.8 39.0 2.3 58 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.3 46,-0.1 2,-0.4 0.150 98.1 78.6-103.3 18.6 -24.3 35.6 3.9 59 285 A I B < S-e 140 0B 3 -3,-1.9 -3,-0.4 80,-0.3 82,-0.2 -0.996 87.8-112.3-126.3 131.4 -25.5 36.9 7.2 60 286 A I - 0 0 2 80,-2.4 2,-0.3 -2,-0.4 -6,-0.1 -0.236 30.3-139.4 -63.4 138.9 -29.1 38.1 7.6 61 287 A K - 0 0 66 -4,-0.1 15,-0.9 -6,-0.0 2,-0.4 -0.815 8.1-127.6-101.7 143.1 -29.7 41.9 8.2 62 288 A I E +D 75 0A 17 -2,-0.3 13,-0.2 -11,-0.2 3,-0.1 -0.740 22.5 179.3 -85.4 133.0 -32.1 43.5 10.5 63 289 A K E - 0 0 99 11,-3.3 2,-0.3 -2,-0.4 12,-0.2 0.724 66.8 -12.0 -99.2 -31.6 -34.4 46.1 8.9 64 290 A N E -D 74 0A 35 10,-1.5 10,-2.8 2,-0.0 -1,-0.4 -0.988 54.9-150.1-167.6 162.3 -36.4 47.1 12.0 65 291 A F E -D 73 0A 56 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.996 3.6-168.9-148.6 134.1 -37.2 46.1 15.6 66 292 A F E -D 72 0A 23 6,-2.7 6,-2.9 -2,-0.3 2,-0.9 -0.988 6.9-162.8-131.3 120.8 -40.2 46.6 17.8 67 293 A D E +D 71 0A 103 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.832 43.9 128.0-102.3 88.0 -40.1 45.9 21.5 68 294 A A S S- 0 0 36 2,-2.1 -66,-0.0 -2,-0.9 3,-0.0 0.133 82.9 -44.5-116.8-135.1 -43.8 45.6 22.4 69 295 A E S S+ 0 0 170 -2,-0.1 -28,-0.4 2,-0.0 2,-0.3 0.873 138.3 16.4 -72.7 -37.3 -45.7 42.8 24.2 70 296 A D S S- 0 0 52 -30,-0.1 -2,-2.1 -4,-0.0 2,-0.4 -0.724 100.4 -99.6-111.4 174.6 -43.7 40.4 22.1 71 297 A Y E -CD 39 67A 50 -32,-2.6 -32,-2.5 -2,-0.3 2,-0.5 -0.836 32.0-162.4 -93.7 138.9 -40.5 41.2 20.2 72 298 A Y E -CD 38 66A 15 -6,-2.9 -6,-2.7 -2,-0.4 2,-0.5 -0.985 5.3-172.7-122.4 122.0 -40.8 41.9 16.5 73 299 A I E -CD 37 65A 3 -36,-2.8 -36,-2.8 -2,-0.5 2,-0.5 -0.963 11.4-152.3-115.9 118.2 -37.7 41.7 14.2 74 300 A V E +CD 36 64A 0 -10,-2.8 -11,-3.3 -2,-0.5 -10,-1.5 -0.797 25.1 167.0 -91.9 132.7 -38.1 42.8 10.6 75 301 A L E -CD 35 62A 16 -40,-2.9 -40,-2.6 -2,-0.5 -13,-0.2 -0.855 43.2 -77.7-137.7 165.9 -35.7 41.1 8.2 76 302 A E E -C 34 0A 46 -15,-0.9 2,-0.5 -2,-0.3 -42,-0.2 -0.359 54.9-109.8 -64.3 144.0 -35.1 40.7 4.5 77 303 A L - 0 0 28 -44,-0.5 2,-0.8 -3,-0.0 -1,-0.1 -0.692 24.2-155.7 -79.8 128.6 -37.4 38.0 3.1 78 304 A M > - 0 0 21 -2,-0.5 3,-1.6 1,-0.1 51,-0.2 -0.888 5.6-165.7-106.3 102.1 -35.6 34.9 2.0 79 305 A E T 3 S+ 0 0 100 51,-0.9 51,-0.2 -2,-0.8 52,-0.2 0.696 79.5 62.7 -69.0 -20.5 -37.8 33.3 -0.6 80 306 A G T 3 S- 0 0 11 49,-2.1 -1,-0.3 1,-0.2 50,-0.2 0.575 93.4-150.1 -78.8 -10.6 -36.2 29.9 -0.6 81 307 A G E < -F 129 0B 30 -3,-1.6 48,-3.3 48,-0.7 -1,-0.2 -0.343 42.9 -15.2 74.8-156.1 -37.0 29.2 3.0 82 308 A E E > -F 128 0B 54 46,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.545 48.2-133.4 -86.8 144.9 -35.0 27.0 5.4 83 309 A L T >> S+ 0 0 0 44,-2.8 3,-1.8 41,-1.0 4,-0.8 0.826 103.6 74.2 -61.1 -31.9 -32.2 24.6 4.3 84 310 A F H >> S+ 0 0 74 40,-1.3 4,-1.4 43,-0.3 3,-1.3 0.878 89.2 56.7 -46.4 -44.5 -33.9 22.1 6.7 85 311 A D H <4 S+ 0 0 82 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.731 103.5 54.8 -67.1 -19.8 -36.7 21.7 4.2 86 312 A K H <4 S+ 0 0 62 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.645 114.6 38.2 -84.1 -15.9 -34.2 20.6 1.5 87 313 A V H << S+ 0 0 12 -3,-1.3 3,-0.5 -4,-0.8 -2,-0.2 0.490 89.5 104.9-116.3 -7.6 -32.7 17.8 3.7 88 314 A V S >< S+ 0 0 49 -4,-1.4 3,-1.3 1,-0.2 110,-0.0 -0.304 74.1 34.4 -68.5 161.5 -35.7 16.3 5.5 89 315 A G T 3 S- 0 0 74 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 0.797 133.2 -69.5 64.1 32.0 -37.1 12.9 4.5 90 316 A N T 3 S+ 0 0 122 -3,-0.5 -1,-0.3 107,-0.2 2,-0.2 0.712 92.0 154.2 54.4 23.4 -33.6 11.7 3.6 91 317 A K < - 0 0 108 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.2 -0.541 24.5-163.8 -71.7 144.2 -33.7 14.1 0.6 92 318 A R - 0 0 74 -2,-0.2 103,-0.1 -3,-0.1 2,-0.1 -0.997 14.6-123.6-139.2 152.6 -30.2 15.1 -0.4 93 319 A L - 0 0 19 101,-1.1 2,-0.1 -2,-0.4 -6,-0.0 -0.394 38.6 -94.0 -83.0 154.8 -28.6 17.8 -2.4 94 320 A K >> - 0 0 132 1,-0.1 4,-2.4 -2,-0.1 3,-0.7 -0.436 39.3-116.6 -59.3 142.2 -26.3 17.3 -5.4 95 321 A E H 3> S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.881 116.9 56.8 -52.2 -42.2 -22.7 17.4 -4.2 96 322 A A H 3> S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 108.6 46.7 -55.7 -39.4 -22.2 20.6 -6.3 97 323 A T H <> S+ 0 0 4 -3,-0.7 4,-2.4 2,-0.2 5,-0.3 0.906 108.1 55.2 -73.5 -42.2 -25.1 22.3 -4.5 98 324 A C H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.896 108.9 50.2 -51.1 -43.0 -23.8 21.2 -1.1 99 325 A K H X S+ 0 0 22 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.923 108.7 49.2 -67.0 -46.3 -20.5 22.8 -2.0 100 326 A L H X S+ 0 0 4 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.930 117.1 42.3 -57.6 -47.2 -22.0 26.1 -3.0 101 327 A Y H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 115.2 48.6 -68.1 -43.9 -24.0 26.3 0.1 102 328 A F H X S+ 0 0 1 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.899 106.0 57.3 -67.6 -40.5 -21.3 25.1 2.4 103 329 A Y H X S+ 0 0 26 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.918 109.6 46.3 -50.3 -46.9 -18.7 27.6 0.9 104 330 A Q H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.869 109.9 52.4 -67.4 -39.2 -21.1 30.4 1.9 105 331 A M H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.915 110.2 50.0 -59.6 -44.8 -21.7 29.0 5.4 106 332 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.914 109.9 49.5 -60.7 -43.7 -17.9 28.9 5.8 107 333 A L H X S+ 0 0 26 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.895 113.3 48.3 -63.0 -40.0 -17.5 32.5 4.6 108 334 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.927 114.7 42.7 -64.5 -50.3 -20.3 33.6 7.0 109 335 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.913 111.9 54.7 -70.0 -38.7 -18.9 31.8 10.0 110 336 A Q H X S+ 0 0 36 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.940 108.8 49.5 -54.6 -45.7 -15.3 32.9 9.2 111 337 A Y H X S+ 0 0 39 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.901 110.5 50.3 -61.4 -42.4 -16.6 36.5 9.2 112 338 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 3,-0.5 0.965 111.8 47.0 -58.9 -51.3 -18.3 36.0 12.6 113 339 A H H ><5S+ 0 0 10 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.885 108.6 54.0 -64.7 -39.1 -15.2 34.5 14.2 114 340 A E H 3<5S+ 0 0 125 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 111.1 48.6 -57.7 -33.5 -12.9 37.4 12.8 115 341 A N T <<5S- 0 0 60 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.141 123.0-105.4 -95.3 18.3 -15.4 39.8 14.4 116 342 A G T < 5S+ 0 0 16 -3,-1.6 33,-3.1 1,-0.2 2,-0.4 0.779 77.7 128.5 69.3 28.8 -15.4 38.0 17.8 117 343 A I E < -H 148 0C 0 -5,-2.4 2,-0.4 31,-0.2 31,-0.2 -0.964 39.3-165.7-118.7 134.0 -18.8 36.4 17.5 118 344 A I E -H 147 0C 5 29,-2.7 29,-2.2 -2,-0.4 62,-0.1 -0.973 7.0-159.1-112.0 134.9 -19.7 32.7 18.0 119 345 A H - 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0 0 58 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.525 18.5-139.7 -80.4 143.7 -27.6 12.7 10.5 200 426 A P S S+ 0 0 1 0, 0.0 20,-2.8 0, 0.0 2,-0.4 0.745 92.7 38.8 -72.3 -29.8 -24.2 11.4 11.7 201 427 A F S S+ 0 0 21 18,-0.2 2,-0.3 -12,-0.0 9,-0.1 -0.997 79.3 131.8-126.8 126.7 -25.3 11.0 15.3 202 428 A S - 0 0 34 -2,-0.4 11,-0.0 2,-0.1 0, 0.0 -0.980 60.8-118.6-169.3 155.9 -28.8 9.8 16.1 203 429 A E S > S+ 0 0 136 -2,-0.3 3,-0.6 4,-0.0 2,-0.4 0.274 72.9 122.3 -90.8 14.5 -30.8 7.3 18.2 204 430 A H T 3 S- 0 0 145 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.639 86.9 -18.3 -83.3 126.4 -32.1 5.6 15.0 205 431 A R T 3 S+ 0 0 91 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.905 113.2 99.4 43.7 55.9 -31.4 1.8 14.7 206 432 A T < - 0 0 64 -3,-0.6 -1,-0.2 1,-0.1 0, 0.0 -0.970 61.5-149.1-158.0 159.7 -28.5 1.8 17.3 207 433 A Q S S+ 0 0 194 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.598 71.0 99.6-103.2 -18.5 -27.8 0.9 21.0 208 434 A V S S- 0 0 60 1,-0.1 -2,-0.0 2,-0.0 5,-0.0 -0.510 81.3-113.3 -69.8 134.0 -25.1 3.5 21.6 209 435 A S > - 0 0 42 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.287 19.1-118.0 -64.2 152.4 -26.4 6.6 23.3 210 436 A L H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.963 116.7 51.8 -54.9 -50.1 -26.4 9.9 21.4 211 437 A K H > S+ 0 0 143 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.918 110.3 46.6 -52.8 -49.3 -24.0 11.4 23.9 212 438 A D H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 6,-0.3 0.842 110.0 54.4 -67.5 -35.7 -21.6 8.5 23.6 213 439 A Q H X>S+ 0 0 8 -4,-2.5 5,-1.2 2,-0.2 4,-0.9 0.942 113.3 43.5 -56.9 -47.2 -21.7 8.6 19.8 214 440 A I H ><5S+ 0 0 63 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.941 112.9 47.3 -72.2 -49.2 -20.8 12.3 20.0 215 441 A T H 3<5S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.772 116.1 46.0 -67.6 -23.4 -18.0 12.3 22.6 216 442 A S H 3<5S- 0 0 58 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.667 105.2-132.1 -85.5 -17.0 -16.3 9.3 20.9 217 443 A G T <<5 + 0 0 12 -4,-0.9 2,-1.5 -3,-0.6 -3,-0.2 0.636 53.7 150.0 73.6 15.2 -16.7 11.0 17.5 218 444 A K < - 0 0 154 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.619 27.2-168.3 -86.9 86.9 -18.1 7.7 16.0 219 445 A Y - 0 0 58 -2,-1.5 2,-1.0 22,-0.1 -18,-0.2 -0.371 32.1-102.3 -69.5 151.9 -20.4 8.9 13.3 220 446 A N - 0 0 68 -20,-2.8 2,-0.6 -21,-0.1 -1,-0.1 -0.686 41.8-166.6 -76.2 104.9 -22.8 6.5 11.7 221 447 A F - 0 0 84 -2,-1.0 -1,-0.0 4,-0.0 -3,-0.0 -0.853 11.5-173.9-100.8 114.7 -21.2 5.7 8.3 222 448 A I >> - 0 0 47 -2,-0.6 4,-1.5 1,-0.1 3,-1.1 -0.883 14.7-153.7-107.0 99.3 -23.4 3.9 5.8 223 449 A P H 3> S+ 0 0 84 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.710 86.2 51.3 -49.3 -32.9 -21.1 3.0 2.8 224 450 A E H 34 S+ 0 0 132 2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.771 105.7 52.5 -85.0 -27.3 -23.7 2.9 0.0 225 451 A V H <4 S+ 0 0 32 -3,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.924 117.9 42.1 -61.9 -39.8 -25.3 6.3 0.8 226 452 A W H >< S+ 0 0 9 -4,-1.5 3,-1.9 1,-0.2 -2,-0.2 0.664 88.7 87.2 -83.9 -19.9 -21.7 7.7 0.6 227 453 A A T 3< S+ 0 0 84 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.847 91.4 50.3 -49.7 -38.4 -20.4 5.7 -2.5 228 454 A E T 3 S+ 0 0 141 -3,-0.5 2,-0.3 -4,-0.5 -1,-0.3 0.671 96.8 86.8 -73.3 -20.7 -21.8 8.4 -4.8 229 455 A V S < S- 0 0 19 -3,-1.9 -33,-0.0 -4,-0.2 -34,-0.0 -0.639 86.8-105.7 -86.1 140.0 -20.1 11.2 -2.7 230 456 A S > - 0 0 41 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.209 18.2-125.0 -61.7 152.8 -16.5 12.3 -3.5 231 457 A E H > S+ 0 0 174 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.777 110.7 56.7 -66.3 -32.4 -13.6 11.3 -1.2 232 458 A K H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.873 104.8 51.3 -68.7 -40.6 -12.6 15.0 -0.8 233 459 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.935 113.4 44.5 -58.4 -52.4 -16.1 15.9 0.5 234 460 A L H X S+ 0 0 24 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.829 107.7 59.6 -63.4 -34.9 -16.0 13.2 3.1 235 461 A D H X S+ 0 0 57 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.913 106.2 47.3 -59.8 -43.7 -12.4 14.1 3.9 236 462 A L H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 3,-0.4 0.928 108.7 54.5 -64.2 -44.8 -13.5 17.6 4.9 237 463 A V H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.9 0.929 107.2 52.3 -50.9 -46.4 -16.4 16.2 7.0 238 464 A K H 3< S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 107.0 50.9 -62.3 -34.1 -13.8 14.1 8.8 239 465 A K H 3< S+ 0 0 73 -4,-1.4 10,-2.3 -3,-0.4 3,-0.3 0.644 112.8 46.6 -80.4 -15.0 -11.6 17.1 9.7 240 466 A L H << S+ 0 0 0 -4,-1.1 2,-0.7 -3,-0.9 -2,-0.2 0.763 104.7 60.2 -94.4 -30.8 -14.6 19.0 11.1 241 467 A L S < S+ 0 0 8 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 -0.286 74.1 135.5 -93.2 49.0 -16.0 16.2 13.2 242 468 A V - 0 0 43 -2,-0.7 6,-0.1 -3,-0.3 -25,-0.1 -0.858 50.9-146.7 -98.3 132.5 -12.8 15.9 15.2 243 469 A V S S+ 0 0 70 -2,-0.4 -1,-0.1 -27,-0.1 -26,-0.1 0.844 81.0 78.9 -73.6 -36.5 -13.5 15.6 18.9 244 470 A D S >> S- 0 0 81 1,-0.2 4,-1.9 -3,-0.1 3,-1.1 -0.646 72.2-153.5 -71.2 110.5 -10.5 17.5 20.1 245 471 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.762 93.0 55.2 -61.2 -26.4 -11.5 21.2 19.7 246 472 A K T 34 S+ 0 0 103 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.737 112.2 41.8 -76.3 -25.8 -7.8 22.3 19.3 247 473 A A T <4 S+ 0 0 59 -3,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.688 92.2 109.9 -91.3 -21.7 -7.2 19.8 16.4 248 474 A R S < S- 0 0 25 -4,-1.9 -8,-0.2 -6,-0.1 2,-0.1 -0.190 81.1 -98.4 -52.6 140.5 -10.6 20.5 14.7 249 475 A F - 0 0 36 -10,-2.3 2,-0.1 -13,-0.1 -1,-0.1 -0.387 35.0-141.0 -59.0 135.0 -10.4 22.4 11.4 250 476 A T > - 0 0 50 -2,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.395 31.9 -99.2 -84.3 172.5 -11.1 26.1 11.7 251 477 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.883 125.6 54.0 -62.2 -36.8 -13.1 27.9 9.0 252 478 A E H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.893 109.0 47.2 -63.0 -43.7 -9.8 29.1 7.4 253 479 A E H 4 S+ 0 0 58 2,-0.2 4,-0.3 1,-0.2 3,-0.3 0.883 111.9 50.8 -66.1 -39.0 -8.5 25.5 7.2 254 480 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.891 107.3 53.2 -63.6 -40.4 -11.9 24.4 5.7 255 481 A L H 3< S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 109.5 49.7 -70.2 -22.7 -11.8 27.1 3.1 256 482 A R T 3< S+ 0 0 165 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.447 86.2 117.5 -90.7 -3.9 -8.2 25.9 2.1 257 483 A H S X S- 0 0 7 -3,-1.2 3,-2.0 -4,-0.3 4,-0.4 -0.388 78.3-116.3 -67.1 143.0 -9.4 22.3 1.8 258 484 A P G > S+ 0 0 69 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.814 111.7 65.2 -45.2 -37.6 -9.1 20.7 -1.7 259 485 A W G 3 S+ 0 0 4 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.795 103.6 46.2 -60.8 -30.0 -12.9 20.3 -1.9 260 486 A L G < S+ 0 0 0 -3,-2.0 2,-1.5 -6,-0.3 -1,-0.3 0.370 82.9 95.2 -96.8 3.9 -13.4 24.1 -1.9 261 487 A Q < + 0 0 107 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.1 -0.629 54.6 129.8 -87.4 72.4 -10.7 24.8 -4.6 262 488 A D > - 0 0 44 -2,-1.5 4,-2.3 1,-0.1 5,-0.1 -0.927 40.9-170.5-135.6 98.5 -13.5 24.7 -7.2 263 489 A E H > S+ 0 0 124 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.789 86.1 57.4 -69.1 -27.4 -13.4 27.8 -9.5 264 490 A D H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.955 108.9 46.0 -64.3 -50.1 -16.7 27.0 -11.1 265 491 A M H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.944 114.0 49.0 -56.8 -47.4 -18.4 27.0 -7.7 266 492 A K H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 109.7 51.0 -64.3 -40.2 -16.7 30.3 -6.8 267 493 A R H X S+ 0 0 126 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.929 108.5 52.3 -59.8 -47.2 -17.6 32.0 -10.0 268 494 A K H X S+ 0 0 59 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.856 108.7 50.9 -57.0 -37.6 -21.3 31.0 -9.5 269 495 A F H X S+ 0 0 5 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.964 111.3 46.6 -65.5 -51.2 -21.2 32.5 -6.0 270 496 A Q H X S+ 0 0 100 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 111.4 53.6 -56.7 -39.6 -19.7 35.8 -7.3 271 497 A D H X S+ 0 0 75 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.915 109.0 47.7 -61.5 -45.5 -22.4 35.8 -10.1 272 498 A L H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.827 109.4 54.5 -65.7 -33.8 -25.2 35.4 -7.6 273 499 A L H X S+ 0 0 25 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.955 107.6 48.8 -61.8 -51.8 -23.7 38.2 -5.5 274 500 A S H < S+ 0 0 84 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.918 109.0 53.2 -55.9 -47.8 -23.7 40.7 -8.5 275 501 A E H < S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.0 50.4 -51.8 -44.1 -27.3 39.8 -9.3 276 502 A E H < S+ 0 0 79 -4,-1.6 2,-0.2 -3,-0.2 -1,-0.2 0.857 95.9 86.8 -62.9 -38.2 -28.4 40.6 -5.7 277 503 A N < - 0 0 91 -4,-1.6 2,-0.2 -3,-0.3 -4,-0.0 -0.499 51.0-174.3 -85.8 133.0 -26.7 44.0 -5.5 278 504 A E + 0 0 165 -2,-0.2 -3,-0.0 1,-0.1 -4,-0.0 -0.706 28.1 169.8-157.3 98.7 -28.3 47.4 -6.7 279 505 A S - 0 0 92 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.084 31.6 -99.0 174.8 -83.2 -26.1 49.6 -6.5 280 506 A T - 0 0 121 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.366 46.6 -85.0 100.0 133.5 -25.1 53.2 -7.3 281 507 A A - 0 0 97 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.245 44.5-149.5 -63.1 153.1 -22.9 54.8 -10.0 282 508 A K - 0 0 185 2,-0.2 2,-0.2 0, 0.0 -1,-0.0 -0.918 18.3-102.9-125.6 152.2 -19.1 54.9 -9.4 283 509 A P 0 0 128 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.564 360.0 360.0 -72.7 142.6 -16.2 57.2 -10.4 284 510 A Q 0 0 242 -2,-0.2 -2,-0.2 0, 0.0 0, 0.0 -0.373 360.0 360.0 58.8 360.0 -14.0 56.0 -13.3