==== 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 4BDF . 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 . 285 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 67.7 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 13.3 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 . 14 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.9 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 0 164 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.8 -57.2 36.5 20.1 2 210 A S - 0 0 122 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.967 360.0-113.0-167.2 171.0 -54.8 39.7 20.2 3 211 A V - 0 0 133 -2,-0.2 3,-0.1 1,-0.0 0, 0.0 -0.828 20.4-115.8-119.8 159.7 -53.4 42.8 18.2 4 212 A Y - 0 0 75 -2,-0.3 2,-0.0 1,-0.1 -1,-0.0 -0.536 50.7 -89.0 -81.1 152.1 -50.1 44.1 16.7 5 213 A P >> - 0 0 32 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.326 28.9-121.6 -68.9 146.8 -48.6 47.3 18.1 6 214 A K H 3> S+ 0 0 172 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.858 113.0 54.1 -50.9 -42.9 -49.7 50.6 16.6 7 215 A A H 3> S+ 0 0 56 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.815 111.0 44.4 -63.4 -38.1 -46.0 51.5 15.7 8 216 A L H X> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 3,-1.1 0.976 115.5 48.8 -66.7 -54.2 -45.5 48.2 13.8 9 217 A R H 3< S+ 0 0 135 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.823 103.4 61.2 -50.8 -44.1 -49.0 48.7 12.1 10 218 A D H 3< S+ 0 0 129 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.836 119.2 26.6 -52.9 -40.7 -48.1 52.3 11.2 11 219 A E H << S+ 0 0 71 -3,-1.1 18,-2.4 -4,-0.9 19,-0.4 0.687 121.7 42.1 -98.5 -29.5 -45.1 51.0 9.1 12 220 A Y E < -A 28 0A 6 -4,-2.4 2,-0.8 16,-0.2 16,-0.2 -0.965 61.6-138.9-128.8 146.9 -46.0 47.4 7.9 13 221 A I E -A 27 0A 89 14,-2.0 14,-1.2 -2,-0.3 2,-0.1 -0.895 37.1-136.6 -99.4 97.9 -49.1 45.6 6.6 14 222 A M E +A 26 0A 36 -2,-0.8 12,-0.3 12,-0.2 2,-0.1 -0.354 31.5 171.4 -64.3 133.2 -48.9 42.3 8.5 15 223 A S E - 0 0 48 10,-2.9 -1,-0.1 1,-0.2 10,-0.0 -0.435 33.5 -24.4-126.0-165.6 -49.6 39.0 6.4 16 224 A K E - 0 0 67 8,-0.2 9,-2.6 -2,-0.1 -1,-0.2 -0.053 66.7 -96.2 -52.0 145.0 -49.5 35.1 6.6 17 225 A T E -A 24 0A 101 7,-0.2 7,-0.3 1,-0.1 -1,-0.1 -0.378 31.3-175.7 -64.6 133.1 -47.2 33.1 8.9 18 226 A L 0 0 91 5,-3.3 6,-0.2 -2,-0.1 -1,-0.1 0.767 360.0 360.0 -98.4 -36.8 -43.9 31.8 7.3 19 227 A G 0 0 54 4,-1.6 4,-0.2 63,-0.1 -2,-0.1 -0.461 360.0 360.0 166.2 360.0 -42.6 29.7 10.3 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 21 232 A G 0 0 103 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 130.2 -40.1 32.1 17.5 22 233 A E E - B 0 39A 50 17,-1.3 17,-3.2 -4,-0.0 2,-0.5 -0.786 360.0-163.0 -93.2 130.2 -43.0 33.0 15.1 23 234 A V E - B 0 38A 39 -2,-0.4 -5,-3.3 15,-0.2 -4,-1.6 -0.973 9.1-175.2-119.0 120.8 -42.1 34.5 11.7 24 235 A K E -AB 17 37A 22 13,-2.8 13,-3.5 -2,-0.5 -7,-0.2 -0.884 25.8-119.1-118.0 150.6 -44.7 36.4 9.6 25 236 A L E + B 0 36A 30 -9,-2.6 -10,-2.9 -2,-0.3 2,-0.3 -0.554 40.3 169.0 -77.5 145.8 -44.7 37.9 6.2 26 237 A A E -AB 14 35A 0 9,-1.9 9,-3.0 -12,-0.3 2,-0.5 -0.957 29.5-126.8-153.2 163.7 -45.3 41.7 6.0 27 238 A F E -AB 13 34A 68 -14,-1.2 -14,-2.0 -2,-0.3 2,-0.3 -0.975 20.4-128.9-122.9 120.0 -45.1 44.6 3.5 28 239 A E E >> -AB 12 33A 36 5,-2.4 4,-2.7 -2,-0.5 5,-0.5 -0.516 18.5-146.7 -63.8 121.7 -43.2 47.8 4.2 29 240 A R T 45S+ 0 0 122 -18,-2.4 -1,-0.2 -2,-0.3 -17,-0.1 0.777 94.3 54.7 -60.8 -35.2 -45.9 50.5 3.4 30 241 A K T 45S+ 0 0 113 -19,-0.4 -1,-0.2 1,-0.1 -18,-0.1 0.868 125.7 20.0 -66.2 -42.9 -43.2 52.9 2.1 31 242 A T T 45S- 0 0 61 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.597 89.7-133.7-105.9 -21.0 -41.7 50.5 -0.4 32 243 A C T <5 + 0 0 106 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.663 61.8 141.5 66.5 19.8 -44.5 47.9 -0.9 33 244 A K E < -B 28 0A 143 -5,-0.5 -5,-2.4 1,-0.1 -1,-0.3 -0.678 57.3-105.2 -97.6 147.7 -41.8 45.4 -0.5 34 245 A K E +B 27 0A 68 -2,-0.3 44,-0.5 -7,-0.2 2,-0.3 -0.460 40.8 174.3 -72.4 137.4 -42.0 42.0 1.3 35 246 A V E -B 26 0A 1 -9,-3.0 -9,-1.9 -2,-0.2 2,-0.4 -0.880 28.2-125.8-134.7 165.8 -40.3 41.7 4.7 36 247 A A E -BC 25 76A 10 40,-2.4 40,-3.4 -2,-0.3 2,-0.6 -0.976 20.0-158.9-115.8 128.3 -40.2 38.9 7.4 37 248 A I E -BC 24 75A 0 -13,-3.5 -13,-2.8 -2,-0.4 2,-0.5 -0.957 2.8-156.2-114.4 114.3 -41.2 39.9 10.9 38 249 A K E -BC 23 74A 22 36,-3.1 36,-3.1 -2,-0.6 2,-0.4 -0.803 8.7-156.2 -90.3 118.8 -39.9 37.6 13.8 39 250 A I E -BC 22 73A 27 -17,-3.2 -17,-1.3 -2,-0.5 2,-0.4 -0.840 9.3-173.1 -96.6 129.8 -42.1 37.9 16.9 40 251 A I E - C 0 72A 42 32,-2.2 32,-3.1 -2,-0.4 2,-0.1 -0.996 21.0-133.4-125.9 118.4 -40.4 36.9 20.3 41 252 A S E C 0 71A 76 -2,-0.4 30,-0.2 30,-0.2 29,-0.0 -0.460 360.0 360.0 -73.1 144.8 -42.8 36.8 23.4 42 253 A K 0 0 138 28,-0.7 -1,-0.1 -2,-0.1 29,-0.1 0.854 360.0 360.0 -86.2 360.0 -41.6 38.5 26.6 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 0 145 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -31.8 -30.8 38.5 25.3 45 270 A V H > + 0 0 17 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.867 360.0 51.7 -81.1 -36.8 -33.0 40.0 22.5 46 271 A E H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.913 110.2 48.8 -62.6 -44.2 -31.2 43.4 22.9 47 272 A T H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 109.7 52.5 -62.7 -37.6 -27.8 41.5 22.6 48 273 A E H X S+ 0 0 26 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.887 111.8 45.4 -65.6 -41.7 -29.1 39.7 19.4 49 274 A I H X S+ 0 0 24 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.901 111.1 53.2 -67.0 -44.1 -30.1 43.2 17.9 50 275 A E H X S+ 0 0 61 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.878 113.2 43.4 -58.6 -43.3 -26.7 44.7 18.9 51 276 A I H >X S+ 0 0 9 -4,-2.1 4,-1.3 1,-0.2 3,-1.0 0.990 116.3 46.3 -66.6 -57.6 -24.9 41.8 17.1 52 277 A L H 3< S+ 0 0 4 -4,-2.4 11,-0.5 1,-0.3 -2,-0.2 0.703 108.2 56.7 -57.3 -29.6 -27.1 41.8 14.0 53 278 A K H 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.846 112.2 42.0 -70.0 -37.3 -27.0 45.7 13.7 54 279 A K H << S+ 0 0 79 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.621 96.0 91.1 -86.4 -20.7 -23.1 45.6 13.5 55 280 A L < - 0 0 13 -4,-1.3 2,-0.2 6,-0.1 58,-0.0 -0.516 49.0-179.4 -79.9 148.8 -22.7 42.6 11.2 56 281 A N + 0 0 113 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.664 26.0 123.3-152.8 89.2 -22.5 43.1 7.4 57 282 A H > - 0 0 34 3,-0.4 3,-1.6 -2,-0.2 52,-0.0 -0.992 60.7-125.3-147.4 144.0 -22.1 40.1 5.1 58 283 A P T 3 S+ 0 0 34 0, 0.0 4,-0.1 0, 0.0 51,-0.0 0.657 113.0 50.9 -65.8 -14.6 -24.2 38.8 2.2 59 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.1 46,-0.1 2,-0.4 0.119 99.1 76.2-108.3 19.3 -24.5 35.4 3.9 60 285 A I B < S-e 141 0B 3 -3,-1.6 -3,-0.4 80,-0.3 82,-0.2 -0.997 88.5-113.2-129.5 123.5 -25.7 36.8 7.3 61 286 A I - 0 0 3 80,-2.4 2,-0.4 -2,-0.4 -6,-0.1 -0.150 30.9-135.7 -53.0 144.0 -29.3 38.1 7.7 62 287 A K - 0 0 56 -4,-0.1 15,-1.0 -6,-0.1 2,-0.3 -0.907 6.7-128.1-111.5 137.5 -29.8 41.9 8.2 63 288 A I E +D 76 0A 33 -11,-0.5 13,-0.2 -2,-0.4 3,-0.1 -0.630 24.1 177.8 -77.7 134.7 -32.1 43.7 10.7 64 289 A K E - 0 0 108 11,-3.8 2,-0.3 1,-0.4 12,-0.2 0.677 65.9 -12.6-106.5 -32.7 -34.3 46.2 8.9 65 290 A N E -D 75 0A 47 10,-1.4 10,-2.3 2,-0.0 -1,-0.4 -0.969 55.8-148.3-162.7 166.1 -36.3 47.4 12.0 66 291 A F E -D 74 0A 61 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.987 3.2-165.8-149.5 137.2 -37.1 46.5 15.7 67 292 A F E -D 73 0A 24 6,-2.7 6,-2.4 -2,-0.3 2,-0.9 -0.988 7.5-161.8-128.4 118.6 -40.1 47.0 18.0 68 293 A D E +D 72 0A 102 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.835 44.7 132.0 -99.6 86.4 -40.0 46.7 21.8 69 294 A A S S- 0 0 27 2,-2.2 -65,-0.0 -2,-0.9 4,-0.0 -0.086 83.3 -50.4-112.2-148.3 -43.7 46.2 22.5 70 295 A E S S+ 0 0 88 -2,-0.1 -28,-0.7 -28,-0.1 2,-0.3 0.672 139.5 19.6 -66.4 -14.0 -45.7 43.7 24.7 71 296 A D E S-C 41 0A 50 -30,-0.2 -2,-2.2 -29,-0.1 2,-0.3 -0.905 99.4 -99.7-142.6 160.4 -43.5 41.3 22.6 72 297 A Y E -CD 40 68A 58 -32,-3.1 -32,-2.2 -2,-0.3 2,-0.4 -0.683 32.2-160.9 -85.7 141.7 -40.3 41.9 20.6 73 298 A Y E -CD 39 67A 12 -6,-2.4 -6,-2.7 -2,-0.3 2,-0.6 -0.984 4.3-169.3-128.2 115.2 -40.7 42.5 16.8 74 299 A I E -CD 38 66A 1 -36,-3.1 -36,-3.1 -2,-0.4 2,-0.6 -0.938 10.2-152.1-111.4 114.1 -37.7 42.0 14.6 75 300 A V E +CD 37 65A 0 -10,-2.3 -11,-3.8 -2,-0.6 -10,-1.4 -0.747 27.2 171.0 -87.5 114.3 -38.0 43.1 10.9 76 301 A L E -CD 36 63A 18 -40,-3.4 -40,-2.4 -2,-0.6 2,-0.2 -0.777 40.3 -85.1-121.7 165.1 -35.6 41.0 8.8 77 302 A E - 0 0 44 -15,-1.0 2,-0.4 -2,-0.3 -42,-0.1 -0.535 50.0-113.3 -74.7 138.7 -35.0 40.6 5.1 78 303 A L - 0 0 33 -44,-0.5 2,-0.7 -2,-0.2 -1,-0.1 -0.646 22.3-159.8 -79.0 130.0 -37.3 38.0 3.5 79 304 A M > - 0 0 18 -2,-0.4 3,-1.8 1,-0.1 51,-0.2 -0.879 2.1-167.6-112.9 93.0 -35.8 34.7 2.2 80 305 A E T 3 S+ 0 0 112 51,-0.9 52,-0.2 -2,-0.7 51,-0.2 0.665 81.4 64.6 -57.7 -22.3 -38.2 33.2 -0.4 81 306 A G T 3 S- 0 0 20 49,-1.8 -1,-0.3 1,-0.2 50,-0.2 0.647 94.9-151.7 -75.9 -16.5 -36.4 29.8 -0.5 82 307 A G E < -F 130 0B 27 -3,-1.8 48,-3.0 48,-0.7 -1,-0.2 -0.409 41.7 -16.0 79.9-154.6 -37.2 29.2 3.1 83 308 A E E > -F 129 0B 58 46,-0.2 3,-0.7 1,-0.1 46,-0.2 -0.580 50.0-132.8 -86.0 150.8 -35.2 27.0 5.5 84 309 A L T >> S+ 0 0 0 44,-2.7 3,-2.1 41,-1.1 4,-0.7 0.793 104.0 73.9 -68.4 -28.4 -32.5 24.6 4.4 85 310 A F H >> S+ 0 0 74 40,-1.1 4,-1.5 43,-0.3 3,-1.1 0.854 88.3 58.3 -50.4 -42.4 -34.2 22.1 6.8 86 311 A D H <4 S+ 0 0 90 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.574 105.3 51.1 -67.6 -12.6 -37.1 21.7 4.3 87 312 A K H <4 S+ 0 0 64 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.536 115.9 40.0 -97.8 -14.2 -34.6 20.5 1.6 88 313 A V H << S+ 0 0 9 -3,-1.1 4,-0.5 -4,-0.7 3,-0.4 0.578 87.1 111.9-113.2 -14.5 -33.0 17.8 3.9 89 314 A V S >< S+ 0 0 51 -4,-1.5 3,-0.7 1,-0.2 110,-0.0 -0.238 74.4 23.4 -62.1 151.8 -36.0 16.3 5.8 90 315 A G T 3 S- 0 0 73 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.855 135.5 -57.7 59.3 43.6 -37.2 12.7 5.2 91 316 A N T 3 S+ 0 0 127 107,-0.6 2,-0.4 -3,-0.4 -1,-0.2 0.686 85.8 166.7 61.6 25.3 -33.8 11.4 3.9 92 317 A K < - 0 0 99 -3,-0.7 2,-0.6 -4,-0.5 -1,-0.2 -0.571 24.7-148.1 -73.6 123.8 -33.8 14.1 1.1 93 318 A R - 0 0 100 -2,-0.4 2,-0.1 -3,-0.1 103,-0.1 -0.899 2.2-141.1-104.3 119.1 -30.3 14.2 -0.4 94 319 A L - 0 0 17 101,-1.5 2,-0.1 -2,-0.6 -6,-0.0 -0.473 34.3 -97.3 -73.6 144.1 -28.9 17.5 -1.8 95 320 A K > - 0 0 126 -2,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.396 34.2-118.2 -58.6 136.7 -26.8 17.3 -5.1 96 321 A E H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.866 116.3 50.5 -49.1 -39.7 -23.1 17.2 -4.2 97 322 A A H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 108.7 50.1 -65.4 -42.3 -22.6 20.5 -6.1 98 323 A T H > S+ 0 0 6 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.871 108.5 54.6 -62.9 -40.8 -25.6 22.2 -4.3 99 324 A C H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.904 110.0 46.9 -55.7 -50.6 -24.0 21.1 -0.9 100 325 A K H X S+ 0 0 24 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.905 110.4 50.4 -60.4 -49.6 -20.7 22.8 -2.0 101 326 A L H X S+ 0 0 4 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.884 117.9 39.9 -59.1 -40.7 -22.4 26.0 -3.0 102 327 A Y H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.929 116.5 49.1 -73.7 -47.9 -24.3 26.3 0.2 103 328 A F H X S+ 0 0 3 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.889 106.4 55.9 -61.1 -43.2 -21.4 25.1 2.5 104 329 A Y H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.910 110.7 45.9 -54.4 -44.9 -18.9 27.5 0.9 105 330 A Q H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.2 -1,-0.2 0.868 110.6 52.2 -65.9 -40.7 -21.3 30.4 1.9 106 331 A M H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.879 111.4 48.7 -63.2 -39.2 -21.9 28.9 5.4 107 332 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 111.2 48.8 -68.9 -39.5 -18.0 28.8 5.8 108 333 A L H X S+ 0 0 24 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.896 114.6 46.0 -65.1 -42.0 -17.7 32.4 4.6 109 334 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.955 115.6 44.5 -65.9 -51.3 -20.5 33.5 7.0 110 335 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.850 111.4 54.7 -64.0 -31.8 -19.0 31.6 10.0 111 336 A Q H X S+ 0 0 41 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.968 108.6 48.4 -66.2 -45.1 -15.5 32.9 9.1 112 337 A Y H X S+ 0 0 43 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.897 110.9 51.9 -54.8 -49.1 -16.9 36.6 9.2 113 338 A L H <>S+ 0 0 0 -4,-2.1 5,-3.2 2,-0.2 -1,-0.2 0.917 112.8 43.8 -54.0 -51.4 -18.5 35.9 12.6 114 339 A H H ><5S+ 0 0 8 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.926 111.0 53.6 -65.9 -44.5 -15.2 34.5 14.1 115 340 A E H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.842 112.4 46.8 -55.0 -37.2 -13.2 37.3 12.6 116 341 A N T 3<5S- 0 0 84 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.239 122.6-104.4 -91.4 7.2 -15.6 39.8 14.3 117 342 A G T < 5S+ 0 0 18 -3,-1.9 33,-2.7 1,-0.2 2,-0.4 0.664 77.9 130.3 76.4 24.4 -15.6 38.0 17.7 118 343 A I E < -H 149 0C 12 -5,-3.2 2,-0.5 31,-0.2 -1,-0.2 -0.938 38.7-166.7-114.6 129.9 -19.0 36.3 17.3 119 344 A I E -H 148 0C 5 29,-2.3 29,-2.7 -2,-0.4 62,-0.0 -0.980 10.1-156.3-110.6 119.7 -19.8 32.6 18.0 120 345 A H - 0 0 0 -2,-0.5 26,-0.3 27,-0.2 -1,-0.1 0.901 13.2-171.4 -62.6 -48.4 -23.3 31.6 16.6 121 346 A R + 0 0 138 60,-0.1 -1,-0.1 26,-0.1 26,-0.1 0.336 69.7 61.9 71.2 -3.6 -23.6 28.6 19.0 122 347 A D + 0 0 31 21,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.165 61.6 157.7-145.2 46.3 -26.9 27.3 17.3 123 348 A L + 0 0 9 3,-0.1 68,-0.1 18,-0.0 20,-0.0 -0.640 18.0 134.7 -78.5 121.7 -26.0 26.4 13.6 124 349 A K S > S- 0 0 79 -2,-0.4 3,-2.0 66,-0.0 4,-0.2 -0.936 70.3 -92.2-155.0 164.8 -28.5 23.9 12.2 125 350 A P G > S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 -40,-1.1 0.816 122.1 63.3 -56.2 -28.5 -30.4 23.5 8.8 126 351 A E G 3 S+ 0 0 61 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.609 103.9 47.6 -71.5 -10.2 -33.4 25.4 10.4 127 352 A N G < S+ 0 0 14 -3,-2.0 15,-2.9 -44,-0.1 2,-0.6 0.198 93.5 85.9-111.9 9.6 -31.2 28.5 10.8 128 353 A V E < - G 0 141B 0 -3,-1.3 -44,-2.7 13,-0.2 2,-0.3 -0.974 66.8-162.0-114.3 110.0 -29.8 28.5 7.2 129 354 A L E -FG 83 140B 29 11,-3.2 11,-2.3 -2,-0.6 2,-0.3 -0.791 10.2-138.1 -99.4 143.6 -32.2 30.3 4.8 130 355 A L E -FG 82 139B 4 -48,-3.0 -49,-1.8 -2,-0.3 -48,-0.7 -0.785 7.3-143.2 -99.8 137.3 -32.3 30.1 1.0 131 356 A S S S+ 0 0 38 7,-2.7 -51,-0.9 -2,-0.3 2,-0.3 0.777 77.5 5.8 -71.7 -29.5 -32.8 33.3 -1.1 132 357 A S S S- 0 0 35 2,-0.3 -1,-0.1 -52,-0.2 -51,-0.1 -0.928 75.8-102.2-147.9 170.8 -35.0 31.7 -3.8 133 358 A Q S S+ 0 0 152 -2,-0.3 2,-0.2 -3,-0.0 4,-0.1 0.472 92.6 102.8 -75.8 0.0 -36.8 28.5 -4.8 134 359 A E S S- 0 0 141 2,-0.1 -2,-0.3 1,-0.1 -3,-0.1 -0.609 76.1-134.7 -83.9 141.3 -33.9 27.9 -7.2 135 360 A E S S+ 0 0 89 -2,-0.2 2,-1.0 1,-0.1 -1,-0.1 0.783 99.8 63.2 -70.0 -27.5 -31.3 25.3 -6.1 136 361 A D S S+ 0 0 81 -35,-0.0 2,-0.3 -34,-0.0 -1,-0.1 -0.874 85.3 125.7 -97.4 97.1 -28.4 27.6 -7.2 137 362 A C - 0 0 1 -2,-1.0 2,-0.3 -39,-0.1 136,-0.1 -0.952 64.0 -88.8-147.9 170.4 -29.1 30.5 -4.7 138 363 A L - 0 0 5 -2,-0.3 -7,-2.7 135,-0.1 2,-0.3 -0.654 38.5-153.1 -85.0 139.8 -27.7 32.6 -2.0 139 364 A I E - G 0 130B 0 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.811 6.2-161.5-110.0 155.7 -27.9 31.4 1.6 140 365 A K E - G 0 129B 6 -11,-2.3 -11,-3.2 -2,-0.3 2,-0.4 -0.996 17.6-128.3-140.5 138.8 -28.0 33.4 4.8 141 366 A I E +eG 60 128B 0 -82,-2.1 -80,-2.4 -2,-0.3 2,-0.2 -0.742 35.5 178.8 -85.0 131.5 -27.4 32.5 8.4 142 367 A T + 0 0 23 -15,-2.9 -15,-0.0 -2,-0.4 -80,-0.0 -0.717 38.6 58.1-125.4 175.5 -30.2 33.5 10.8 143 368 A D + 0 0 52 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.998 38.5 174.9 63.5 80.5 -31.1 33.2 14.6 144 369 A F > + 0 0 2 1,-0.2 3,-0.8 2,-0.1 -1,-0.1 0.054 46.1 114.9 -98.4 23.1 -28.3 34.9 16.7 145 370 A G T 3 S+ 0 0 9 1,-0.2 -1,-0.2 -23,-0.1 -97,-0.1 0.762 83.5 34.5 -62.2 -35.5 -30.4 34.4 19.9 146 371 A H T 3 S+ 0 0 98 -3,-0.4 -1,-0.2 -26,-0.3 -2,-0.1 0.235 93.2 126.1-103.0 5.9 -27.8 31.9 21.4 147 372 A S < - 0 0 26 -3,-0.8 2,-0.3 -25,-0.1 -27,-0.2 -0.263 45.1-150.8 -70.1 152.4 -24.8 33.7 19.9 148 373 A K E -H 119 0C 32 -29,-2.7 -29,-2.3 -101,-0.0 2,-0.4 -0.930 9.2-131.6-125.5 152.0 -21.9 34.9 22.2 149 374 A I E -H 118 0C 121 -2,-0.3 -31,-0.2 -31,-0.2 -32,-0.1 -0.921 8.4-149.1-104.7 130.3 -19.3 37.7 22.0 150 375 A L + 0 0 53 -33,-2.7 3,-0.1 -2,-0.4 -1,-0.1 0.745 45.8 145.5 -67.1 -30.1 -15.6 36.9 22.6 151 376 A G - 0 0 67 -34,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.134 63.1 -24.8 32.9-125.3 -14.7 40.3 24.2 152 377 A E - 0 0 100 4,-0.0 -1,-0.1 3,-0.0 5,-0.0 -0.951 69.1-133.6-126.6 105.5 -12.1 40.5 27.0 153 378 A T > - 0 0 61 -2,-0.5 4,-1.2 1,-0.1 3,-0.1 -0.254 7.0-142.3 -61.5 139.8 -11.7 37.3 29.0 154 379 A S H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.718 103.6 65.2 -71.9 -22.1 -11.6 37.3 32.8 155 380 A L H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 98.4 50.7 -66.6 -42.4 -8.9 34.6 32.5 156 381 A M H > S+ 0 0 121 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.914 112.6 47.3 -61.2 -42.3 -6.5 37.1 30.8 157 382 A R H >< S+ 0 0 71 -4,-1.2 3,-0.8 1,-0.2 4,-0.4 0.904 112.6 48.9 -62.8 -45.4 -7.1 39.5 33.7 158 383 A T H >< S+ 0 0 60 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.850 107.5 56.2 -61.9 -40.0 -6.6 36.6 36.3 159 384 A L H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.653 93.4 68.8 -69.4 -18.2 -3.3 35.6 34.5 160 385 A C T << S+ 0 0 118 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.762 97.6 66.0 -72.8 -21.3 -2.0 39.1 34.9 161 386 A G S < S- 0 0 51 -3,-1.1 -3,-0.0 -4,-0.4 0, 0.0 -0.142 99.3 -84.5 -88.3-178.1 -1.7 38.5 38.7 162 387 A T - 0 0 108 1,-0.1 3,-0.5 -2,-0.0 -1,-0.1 -0.710 30.6-141.2 -86.3 138.2 0.3 36.1 40.8 163 388 A P > + 0 0 66 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.301 66.4 118.5 -89.1 16.3 -1.2 32.6 41.1 164 389 A T T 3 S+ 0 0 105 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.868 93.3 25.6 -42.2 -47.8 -0.3 32.2 44.9 165 390 A Y T 3 S+ 0 0 218 -3,-0.5 2,-0.4 2,-0.1 -1,-0.3 0.356 96.6 123.5 -99.8 2.3 -4.0 31.9 45.6 166 391 A L < - 0 0 45 -3,-1.4 5,-0.1 -4,-0.1 0, 0.0 -0.568 62.3-123.3 -77.8 122.3 -5.1 30.6 42.1 167 392 A A >> - 0 0 35 -2,-0.4 4,-0.9 1,-0.1 3,-0.8 -0.194 20.4-122.2 -56.9 143.6 -7.0 27.2 42.0 168 393 A P H >> S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.878 107.2 62.6 -62.1 -40.6 -5.4 24.5 39.8 169 394 A E H 3> S+ 0 0 128 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.764 99.7 57.0 -55.9 -25.8 -8.4 24.0 37.5 170 395 A V H <> S+ 0 0 41 -3,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.914 108.1 45.8 -71.4 -41.4 -8.1 27.7 36.4 171 396 A L H << S+ 0 0 84 -4,-0.9 3,-0.5 -3,-0.5 4,-0.3 0.812 111.2 54.2 -69.4 -30.0 -4.5 27.0 35.3 172 397 A V H >< S+ 0 0 115 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.795 101.5 57.9 -74.3 -31.8 -5.7 23.8 33.5 173 398 A S H >X S+ 0 0 45 -4,-1.4 4,-2.4 1,-0.2 3,-0.5 0.640 86.2 81.0 -73.1 -16.1 -8.3 25.7 31.5 174 399 A V T 3< S+ 0 0 60 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.850 86.2 58.3 -58.6 -36.2 -5.5 27.9 30.0 175 400 A G T <4 S+ 0 0 44 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.824 116.4 30.6 -64.5 -37.6 -4.7 25.1 27.5 176 401 A T T X4 S+ 0 0 85 -3,-0.5 3,-0.7 -4,-0.4 -2,-0.2 0.744 90.0 123.0 -92.2 -31.0 -8.2 25.0 25.9 177 402 A A T 3< S+ 0 0 45 -4,-2.4 -3,-0.0 1,-0.2 0, 0.0 0.034 71.7 26.8 -38.4 129.8 -9.2 28.7 26.5 178 403 A G T 3 S+ 0 0 48 -28,-0.0 -1,-0.2 0, 0.0 3,-0.1 0.628 90.7 98.9 88.4 15.2 -10.1 30.6 23.3 179 404 A Y X + 0 0 97 -3,-0.7 3,-0.8 1,-0.1 4,-0.2 -0.011 43.4 109.4-115.8 24.0 -11.4 27.5 21.2 180 405 A N T > + 0 0 97 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.833 69.9 65.5 -70.1 -31.0 -15.1 28.1 21.9 181 406 A R T >> S+ 0 0 99 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.745 83.0 77.0 -59.1 -30.6 -15.6 29.1 18.2 182 407 A A H X> S+ 0 0 7 -3,-0.8 4,-1.5 1,-0.3 3,-0.5 0.698 79.2 71.5 -55.6 -20.9 -14.7 25.5 17.4 183 408 A V H <> S+ 0 0 63 -3,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.831 93.7 55.2 -62.9 -33.4 -18.3 24.6 18.4 184 409 A D H <> S+ 0 0 0 -3,-1.8 4,-1.6 -4,-0.2 -1,-0.2 0.751 105.8 51.4 -68.4 -30.0 -19.5 26.4 15.2 185 410 A C H X S+ 0 0 35 -4,-1.5 4,-1.6 2,-0.2 3,-1.0 0.994 110.4 48.3 -62.1 -58.3 -18.5 21.0 14.7 187 412 A S H 3X S+ 0 0 28 -4,-1.9 4,-2.5 1,-0.3 -2,-0.2 0.826 109.8 51.9 -48.3 -45.8 -22.2 22.1 13.9 188 413 A L H 3X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -1,-0.3 0.841 108.8 51.8 -60.7 -37.2 -21.1 22.9 10.2 189 414 A G H S+ 0 0 137 -2,-0.3 3,-0.9 2,-0.0 2,-0.2 0.622 74.7 114.0 -87.3 -9.4 -30.8 7.3 18.6 205 430 A H T 3 S- 0 0 163 1,-0.2 -2,-0.1 -3,-0.0 3,-0.1 -0.442 93.1 -11.8 -67.7 127.5 -32.4 5.5 15.5 206 431 A R T 3 S+ 0 0 94 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.888 112.8 110.5 43.7 55.5 -31.4 1.8 15.0 207 432 A T < - 0 0 49 -3,-0.9 -1,-0.2 1,-0.1 4,-0.1 -0.985 55.1-161.1-152.1 148.1 -28.5 2.1 17.7 208 433 A Q S S+ 0 0 112 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.753 72.7 90.6 -96.8 -36.3 -27.8 0.8 21.2 209 434 A V S S- 0 0 72 1,-0.1 5,-0.0 2,-0.1 -2,-0.0 -0.413 86.8-109.6 -67.2 128.1 -25.1 3.5 22.0 210 435 A S > - 0 0 48 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.300 21.3-119.4 -61.7 144.6 -26.4 6.7 23.7 211 436 A L H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.873 116.4 54.2 -51.0 -39.0 -26.4 9.9 21.5 212 437 A K H > S+ 0 0 151 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 108.4 47.3 -60.8 -48.7 -24.0 11.4 24.2 213 438 A D H > S+ 0 0 82 -3,-0.3 4,-2.3 2,-0.2 6,-0.2 0.881 110.4 53.3 -62.1 -42.4 -21.5 8.5 23.9 214 439 A Q H X>S+ 0 0 11 -4,-2.3 5,-2.0 1,-0.2 4,-0.7 0.957 113.1 43.7 -55.8 -54.8 -21.7 8.7 20.0 215 440 A I H ><5S+ 0 0 64 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.892 114.4 47.1 -61.3 -47.6 -20.8 12.4 20.1 216 441 A T H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.901 117.9 42.3 -65.6 -37.4 -18.0 12.3 22.8 217 442 A S H 3<5S- 0 0 74 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.570 105.6-135.9 -77.3 -13.8 -16.4 9.3 21.1 218 443 A G T <<5 + 0 0 13 -4,-0.7 2,-1.0 -3,-0.5 -3,-0.2 0.794 50.6 152.1 57.5 34.7 -17.0 11.2 17.7 219 444 A K < - 0 0 62 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.755 26.1-167.4 -99.5 85.6 -18.2 7.8 16.2 220 445 A Y - 0 0 57 -2,-1.0 2,-0.8 22,-0.1 -18,-0.2 -0.346 32.0-100.4 -71.1 152.7 -20.7 8.9 13.5 221 446 A N - 0 0 81 -20,-2.9 2,-0.6 -21,-0.2 -1,-0.1 -0.652 41.7-164.8 -75.7 105.8 -23.0 6.4 11.8 222 447 A F - 0 0 87 -2,-0.8 -1,-0.0 4,-0.0 -3,-0.0 -0.896 8.0-171.0-100.2 116.6 -21.2 5.7 8.5 223 448 A I >> - 0 0 49 -2,-0.6 4,-2.0 1,-0.1 3,-0.6 -0.891 7.7-161.0-106.1 100.7 -23.5 3.9 5.9 224 449 A P H 3> S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.829 87.2 53.9 -49.9 -44.1 -21.2 2.9 2.9 225 450 A E H 34 S+ 0 0 152 2,-0.2 4,-0.4 1,-0.2 3,-0.1 0.875 112.3 45.2 -58.9 -42.2 -24.1 2.5 0.3 226 451 A V H X4 S+ 0 0 35 -3,-0.6 3,-0.8 1,-0.2 4,-0.2 0.942 117.5 43.4 -66.0 -49.8 -25.3 6.0 1.0 227 452 A W H >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.549 91.6 80.1 -76.6 -14.9 -21.8 7.6 0.9 228 453 A A T 3< S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.751 92.0 56.3 -63.3 -25.1 -20.5 5.7 -2.2 229 454 A E T < S+ 0 0 93 -3,-0.8 -1,-0.3 -4,-0.4 2,-0.2 0.739 98.9 76.4 -73.5 -31.4 -22.5 8.4 -4.2 230 455 A V S < S- 0 0 17 -3,-0.8 2,-0.1 -4,-0.2 -33,-0.0 -0.553 90.9-106.1 -85.9 146.7 -20.5 11.2 -2.4 231 456 A S > - 0 0 41 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.330 20.4-120.9 -70.0 156.7 -16.9 12.1 -3.3 232 457 A E H > S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.817 114.1 55.1 -65.3 -33.3 -13.8 11.1 -1.2 233 458 A K H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.1 27,-0.3 0.895 105.3 50.4 -66.8 -46.3 -12.9 14.9 -0.9 234 459 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.966 114.4 44.4 -57.0 -53.0 -16.4 15.8 0.5 235 460 A L H X S+ 0 0 26 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.759 106.9 60.5 -62.6 -31.9 -16.2 13.1 3.2 236 461 A D H X S+ 0 0 54 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.935 106.1 47.2 -62.4 -45.3 -12.6 14.0 4.0 237 462 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 -3,-0.3 -2,-0.2 0.889 110.6 52.0 -61.5 -43.6 -13.7 17.5 5.0 238 463 A V H >X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 3,-1.5 0.973 110.0 49.2 -54.0 -58.9 -16.6 16.0 7.1 239 464 A K H 3< S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.820 110.2 52.2 -48.9 -41.6 -14.1 13.8 8.9 240 465 A K H 3< S+ 0 0 75 -4,-1.9 10,-1.8 1,-0.2 3,-0.3 0.698 114.9 40.4 -71.6 -23.8 -11.8 16.9 9.5 241 466 A L H << S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-1.2 -1,-0.2 0.733 105.6 63.9 -95.0 -30.5 -14.7 18.9 11.1 242 467 A L S < S+ 0 0 7 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 -0.054 75.1 134.7 -86.9 36.0 -16.2 16.0 13.1 243 468 A V - 0 0 43 -3,-0.3 6,-0.1 1,-0.1 -25,-0.1 -0.683 52.5-145.4 -84.0 130.0 -12.9 15.8 15.1 244 469 A V S S+ 0 0 72 -2,-0.3 -1,-0.1 -27,-0.1 -26,-0.1 0.885 81.4 79.1 -65.6 -45.1 -13.5 15.4 19.0 245 470 A D S >> S- 0 0 90 1,-0.2 4,-2.3 2,-0.0 3,-0.6 -0.567 70.6-154.8 -67.1 111.6 -10.4 17.6 20.1 246 471 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.791 94.2 55.1 -64.3 -20.1 -11.6 21.2 19.6 247 472 A K T 34 S+ 0 0 99 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.783 113.8 38.6 -77.3 -33.3 -7.9 22.3 19.3 248 473 A A T <4 S+ 0 0 60 -3,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.727 92.9 110.6 -88.1 -29.6 -7.3 19.8 16.4 249 474 A R S < S- 0 0 24 -4,-2.3 -8,-0.2 -6,-0.1 2,-0.1 -0.077 81.7 -94.6 -46.0 144.4 -10.7 20.4 14.7 250 475 A F - 0 0 37 -10,-1.8 -1,-0.1 -13,-0.2 2,-0.1 -0.386 37.0-140.5 -66.1 138.7 -10.7 22.2 11.3 251 476 A T > - 0 0 46 -3,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.364 30.4-101.2 -87.3 175.8 -11.2 26.0 11.5 252 477 A T H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.914 125.8 52.4 -65.4 -37.7 -13.3 27.9 8.8 253 478 A E H > S+ 0 0 54 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.896 110.3 46.4 -62.0 -44.0 -10.0 29.0 7.2 254 479 A E H >> S+ 0 0 79 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.931 113.5 49.3 -65.2 -44.6 -8.7 25.3 7.0 255 480 A A H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-0.4 0.949 109.2 51.4 -58.1 -51.3 -12.1 24.2 5.6 256 481 A L H 3< S+ 0 0 23 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.691 111.4 49.9 -60.1 -22.3 -12.1 27.0 2.9 257 482 A R H << S+ 0 0 178 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.523 86.1 115.9 -90.9 -14.3 -8.5 25.8 2.0 258 483 A H S XX S- 0 0 5 -3,-1.8 3,-1.5 -4,-0.6 4,-0.6 -0.294 79.6-117.1 -57.1 139.8 -9.7 22.1 1.7 259 484 A P G >4 S+ 0 0 63 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.724 111.4 66.2 -49.9 -25.8 -9.4 20.6 -1.8 260 485 A W G 34 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.861 104.2 43.0 -66.8 -35.0 -13.3 20.1 -1.9 261 486 A L G <4 S+ 0 0 0 -3,-1.5 2,-2.2 -6,-0.4 -1,-0.2 0.498 84.9 98.3 -89.0 -3.9 -13.8 23.9 -1.9 262 487 A Q << + 0 0 102 -4,-0.6 2,-0.4 -3,-0.5 -1,-0.1 -0.476 54.3 131.7 -82.3 64.3 -11.0 24.5 -4.5 263 488 A D > - 0 0 44 -2,-2.2 4,-2.1 1,-0.1 5,-0.1 -0.933 40.7-171.6-127.0 99.7 -13.8 24.6 -7.2 264 489 A E H > S+ 0 0 118 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.778 87.6 54.6 -64.5 -28.8 -13.6 27.6 -9.6 265 490 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 109.3 45.9 -66.9 -53.4 -17.0 26.7 -11.1 266 491 A M H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.910 113.5 50.4 -58.1 -46.2 -18.8 26.8 -7.7 267 492 A K H X S+ 0 0 36 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.895 109.2 51.6 -58.9 -42.6 -17.0 30.1 -6.8 268 493 A R H X S+ 0 0 131 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.941 107.8 51.6 -59.3 -52.4 -18.1 31.7 -10.1 269 494 A K H X S+ 0 0 33 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.824 110.5 49.0 -54.1 -40.1 -21.8 30.7 -9.6 270 495 A F H X S+ 0 0 6 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.921 110.6 49.1 -67.0 -45.8 -21.8 32.3 -6.1 271 496 A Q H X S+ 0 0 107 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.803 112.0 51.5 -60.1 -33.5 -20.1 35.6 -7.5 272 497 A D H X S+ 0 0 97 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.852 109.3 47.3 -71.8 -42.2 -22.9 35.5 -10.2 273 498 A L H X S+ 0 0 36 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.822 111.9 53.9 -67.3 -35.2 -25.7 35.2 -7.6 274 499 A L H X S+ 0 0 22 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.958 109.7 43.5 -63.8 -57.4 -24.1 38.0 -5.6 275 500 A S H X S+ 0 0 71 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.770 111.0 57.0 -63.1 -26.8 -24.0 40.5 -8.5 276 501 A E H < S+ 0 0 69 -4,-1.4 4,-0.3 2,-0.2 3,-0.2 0.924 113.2 39.8 -66.9 -45.5 -27.5 39.5 -9.4 277 502 A E H >< S+ 0 0 76 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.920 118.0 49.0 -65.7 -48.6 -28.7 40.4 -5.8 278 503 A N H 3X S+ 0 0 78 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.590 87.1 85.4 -70.5 -15.5 -26.4 43.5 -5.8 279 504 A E T 3< S+ 0 0 69 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.1 0.778 91.1 51.0 -56.1 -31.8 -27.7 44.8 -9.3 280 505 A S T <4 S+ 0 0 96 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.923 110.6 45.0 -70.3 -51.9 -30.6 46.5 -7.4 281 506 A T T 4 S+ 0 0 80 -4,-0.4 -2,-0.2 2,-0.0 -1,-0.2 0.655 86.2 132.7 -66.2 -22.7 -28.4 48.4 -4.8 282 507 A A < - 0 0 74 -4,-1.4 -3,-0.1 1,-0.1 3,-0.1 -0.109 35.9-171.0 -44.8 109.4 -25.9 49.4 -7.6 283 508 A L - 0 0 98 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.738 40.1 -83.6 -98.2 147.1 -25.0 53.2 -7.5 284 509 A P - 0 0 131 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.188 48.2-119.8 -57.6 143.7 -22.9 54.7 -10.5 285 510 A Q - 0 0 173 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.551 2.8-137.1 -88.7 153.5 -19.2 54.2 -10.4 286 511 A V 0 0 141 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 0.934 360.0 360.0 -71.6 -52.7 -16.5 56.9 -10.3 287 512 A L 0 0 149 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.114 360.0 360.0 55.6 360.0 -13.9 55.3 -12.8