==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE,TRANSFERASE/DNA 18-NOV-10 3PNC . COMPND 2 MOLECULE: DNA POLYMERASE LAMBDA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.BEBENEK,L.C.PEDERSEN,T.A.KUNKEL . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 1 1 1 2 2 2 1 0 0 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 1 250 A T 0 0 166 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.1 -31.2 -17.0 -28.1 2 251 A N - 0 0 39 1,-0.1 3,-0.3 37,-0.1 36,-0.2 -0.292 360.0-174.5 -57.2 128.7 -29.7 -20.4 -27.2 3 252 A H S S+ 0 0 77 34,-0.6 -1,-0.1 35,-0.4 3,-0.1 0.375 78.8 52.4-104.8 0.2 -31.1 -23.2 -29.3 4 253 A N >> + 0 0 0 33,-0.2 4,-2.9 39,-0.1 3,-1.6 -0.218 57.2 134.0-131.4 44.9 -29.4 -26.0 -27.4 5 254 A L H 3> S+ 0 0 100 -3,-0.3 4,-2.0 1,-0.3 5,-0.3 0.831 72.4 64.2 -62.6 -32.0 -30.2 -25.4 -23.8 6 255 A H H 34 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.670 114.7 33.8 -65.4 -14.4 -31.0 -29.1 -23.5 7 256 A I H X> S+ 0 0 0 -3,-1.6 4,-2.0 2,-0.1 3,-1.0 0.831 118.5 46.2-103.4 -56.3 -27.3 -29.6 -24.2 8 257 A T H 3X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.3 5,-0.3 0.902 104.4 62.4 -56.0 -45.8 -25.5 -26.6 -22.6 9 258 A E H 3X S+ 0 0 83 -4,-2.0 4,-0.7 1,-0.2 -1,-0.3 0.822 110.1 42.5 -51.4 -32.3 -27.4 -26.9 -19.3 10 259 A K H <> S+ 0 0 51 -3,-1.0 4,-1.2 -5,-0.3 3,-0.3 0.901 114.7 48.3 -80.7 -44.0 -25.8 -30.3 -19.0 11 260 A L H X S+ 0 0 0 -4,-2.0 4,-3.5 1,-0.2 5,-0.2 0.839 102.4 62.9 -65.7 -34.8 -22.3 -29.3 -20.1 12 261 A E H X S+ 0 0 76 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.888 100.7 53.9 -58.5 -39.4 -22.2 -26.2 -17.8 13 262 A V H X S+ 0 0 69 -4,-0.7 4,-1.9 -3,-0.3 -1,-0.2 0.935 113.6 41.3 -59.9 -47.3 -22.4 -28.6 -14.8 14 263 A L H X S+ 0 0 3 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.924 113.7 52.5 -67.6 -45.0 -19.4 -30.5 -16.1 15 264 A A H X S+ 0 0 12 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.908 111.8 46.9 -57.4 -42.3 -17.5 -27.4 -17.1 16 265 A K H X S+ 0 0 68 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.852 108.0 56.7 -68.5 -35.3 -18.1 -26.0 -13.6 17 266 A A H X S+ 0 0 2 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.948 110.1 43.6 -61.6 -48.5 -17.0 -29.2 -12.0 18 267 A Y H X>S+ 0 0 30 -4,-2.4 5,-1.8 1,-0.2 4,-0.5 0.876 111.7 56.6 -64.7 -36.7 -13.7 -29.1 -13.8 19 268 A S H ><5S+ 0 0 57 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.958 108.7 42.8 -60.8 -53.3 -13.3 -25.4 -13.0 20 269 A V H 3<5S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 111.6 56.3 -66.7 -24.6 -13.7 -25.7 -9.2 21 270 A Q H 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.507 119.9-105.6 -85.9 -4.4 -11.4 -28.7 -9.1 22 271 A G T <<5S+ 0 0 33 -3,-1.3 2,-2.0 -4,-0.5 3,-0.2 0.390 82.2 126.1 100.5 -5.6 -8.5 -26.9 -10.8 23 272 A D >< + 0 0 66 -5,-1.8 4,-2.3 1,-0.2 5,-0.2 -0.460 30.1 161.8 -84.6 67.4 -8.6 -28.4 -14.3 24 273 A K H > + 0 0 134 -2,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.837 64.4 51.8 -58.5 -41.6 -8.8 -24.9 -15.9 25 274 A W H > S+ 0 0 167 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 112.2 46.4 -65.2 -42.4 -7.8 -25.7 -19.4 26 275 A R H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 112.7 50.6 -63.7 -44.2 -10.3 -28.5 -19.8 27 276 A A H X S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.865 107.3 54.5 -61.5 -34.4 -13.0 -26.2 -18.2 28 277 A L H X S+ 0 0 31 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.922 105.6 53.3 -64.8 -41.9 -11.9 -23.6 -20.8 29 278 A G H X S+ 0 0 36 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.950 111.9 44.0 -56.6 -50.2 -12.6 -26.1 -23.5 30 279 A Y H X S+ 0 0 9 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.917 111.0 54.6 -61.3 -45.1 -16.1 -26.8 -22.2 31 280 A A H X S+ 0 0 29 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.933 111.0 44.6 -54.8 -50.0 -16.8 -23.1 -21.7 32 281 A K H X S+ 0 0 116 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.879 111.8 53.3 -63.8 -37.5 -15.9 -22.3 -25.3 33 282 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.957 110.9 47.2 -60.9 -48.4 -17.9 -25.3 -26.5 34 283 A I H X S+ 0 0 10 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.910 108.0 54.4 -59.3 -45.7 -20.9 -24.0 -24.6 35 284 A N H X S+ 0 0 26 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.901 111.2 47.8 -55.6 -41.3 -20.5 -20.4 -26.0 36 285 A A H < S+ 0 0 18 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.995 109.2 49.7 -61.6 -65.1 -20.6 -21.9 -29.5 37 286 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -34,-0.6 0.823 115.7 47.6 -42.7 -38.8 -23.6 -24.1 -28.9 38 287 A K H 3< S+ 0 0 62 -4,-2.4 -35,-0.4 1,-0.2 -1,-0.2 0.969 109.3 47.3 -71.4 -56.3 -25.4 -21.0 -27.5 39 288 A S T 3< S+ 0 0 75 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.187 93.3 116.4 -73.7 21.5 -24.5 -18.4 -30.1 40 289 A F < - 0 0 50 -3,-0.6 -3,-0.1 -4,-0.3 -36,-0.0 -0.033 66.1-133.7 -77.1-172.5 -25.6 -20.9 -32.8 41 290 A H S S+ 0 0 144 1,-0.3 -1,-0.1 -38,-0.0 -4,-0.0 0.687 80.0 23.5-116.8 -30.8 -28.5 -20.5 -35.2 42 291 A K S S- 0 0 38 -38,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.993 92.0 -89.8-143.7 133.8 -30.4 -23.8 -35.1 43 292 A P - 0 0 61 0, 0.0 -39,-0.1 0, 0.0 2,-0.0 -0.090 49.1-120.0 -41.5 120.3 -30.7 -26.6 -32.6 44 293 A V + 0 0 2 1,-0.1 3,-0.1 -7,-0.1 -4,-0.0 -0.356 40.8 165.2 -64.7 145.6 -27.9 -29.1 -33.3 45 294 A T + 0 0 106 1,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.440 50.4 64.3-140.0 -10.9 -29.2 -32.6 -34.2 46 295 A S > - 0 0 54 1,-0.2 4,-1.8 2,-0.0 -1,-0.2 -0.939 65.1-137.1-127.4 147.9 -26.3 -34.5 -35.8 47 296 A Y H >> S+ 0 0 99 -2,-0.4 4,-2.3 2,-0.2 3,-1.1 0.985 111.2 43.1 -57.3 -65.4 -22.8 -35.7 -34.7 48 297 A Q H 3> S+ 0 0 70 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.820 112.1 58.7 -51.8 -31.2 -21.0 -34.6 -37.9 49 298 A E H 3> S+ 0 0 66 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.873 107.9 44.6 -66.4 -38.3 -23.1 -31.5 -37.6 50 299 A A H X< S+ 0 0 0 -4,-1.8 3,-1.2 -3,-1.1 -2,-0.2 0.975 107.7 56.2 -69.6 -56.7 -21.6 -30.8 -34.2 51 300 A C H 3< S+ 0 0 41 -4,-2.3 5,-0.3 1,-0.3 -2,-0.2 0.829 99.2 61.7 -43.8 -43.9 -18.0 -31.5 -35.1 52 301 A S H 3< S+ 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.917 83.9 95.8 -51.8 -46.9 -18.1 -29.0 -37.9 53 302 A I S X< S- 0 0 12 -3,-1.2 3,-1.7 -4,-0.8 2,-0.3 -0.170 87.8-114.0 -49.9 127.9 -18.7 -26.2 -35.4 54 303 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.515 104.7 32.7 -67.4 125.1 -15.5 -24.5 -34.3 55 304 A G T 3 S+ 0 0 51 -2,-0.3 2,-0.4 1,-0.2 -19,-0.1 0.382 102.7 91.1 107.5 -1.0 -14.9 -25.2 -30.6 56 305 A I < + 0 0 10 -3,-1.7 -1,-0.2 -5,-0.3 2,-0.1 -0.985 49.8 168.6-131.3 121.5 -16.4 -28.7 -30.8 57 306 A G > - 0 0 39 -2,-0.4 4,-2.9 -3,-0.1 5,-0.3 -0.351 52.9 -66.7-114.8-163.4 -14.4 -31.8 -31.6 58 307 A K H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.955 129.6 44.1 -50.9 -62.0 -14.8 -35.6 -31.5 59 308 A R H > S+ 0 0 199 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.844 116.9 45.4 -54.9 -40.6 -15.1 -35.9 -27.7 60 309 A M H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 111.9 51.3 -73.1 -39.9 -17.4 -32.9 -27.3 61 310 A A H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.895 107.1 55.2 -62.2 -39.9 -19.6 -34.0 -30.2 62 311 A E H X S+ 0 0 113 -4,-2.5 4,-2.2 -5,-0.3 3,-0.2 0.913 108.9 46.8 -59.0 -44.4 -19.9 -37.5 -28.6 63 312 A K H X S+ 0 0 44 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.836 108.9 54.0 -67.8 -33.8 -21.2 -35.9 -25.4 64 313 A I H X S+ 0 0 2 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.764 109.6 51.2 -70.9 -23.9 -23.7 -33.7 -27.3 65 314 A I H X S+ 0 0 31 -4,-1.4 4,-2.4 -3,-0.2 3,-0.4 0.938 103.8 53.4 -75.9 -52.1 -24.9 -37.0 -28.9 66 315 A E H X S+ 0 0 64 -4,-2.2 4,-2.0 1,-0.3 6,-1.0 0.828 109.6 53.5 -52.0 -32.5 -25.4 -38.9 -25.7 67 316 A I H X S+ 0 0 5 -4,-1.2 4,-0.9 4,-0.2 -1,-0.3 0.879 111.9 41.4 -72.1 -40.1 -27.5 -35.9 -24.6 68 317 A L H < S+ 0 0 58 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.716 120.9 42.3 -82.1 -20.1 -29.8 -36.0 -27.7 69 318 A E H < S+ 0 0 160 -4,-2.4 -2,-0.2 3,-0.2 -3,-0.2 0.797 135.4 14.6 -94.4 -33.4 -30.1 -39.8 -27.8 70 319 A S H < S- 0 0 73 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.468 89.8-131.0-117.8 -8.0 -30.6 -40.4 -24.1 71 320 A G S < S+ 0 0 48 -4,-0.9 2,-0.3 -5,-0.4 -4,-0.2 0.714 80.1 90.0 63.0 18.6 -31.3 -36.9 -22.8 72 321 A H - 0 0 74 -6,-1.0 2,-0.5 -62,-0.0 -2,-0.3 -0.951 68.9-141.1-143.3 160.4 -28.7 -37.6 -20.2 73 322 A L >> - 0 0 0 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.853 8.8-161.8-127.8 94.7 -25.0 -37.3 -19.6 74 323 A R G >4 S+ 0 0 40 -2,-0.5 3,-1.4 1,-0.3 4,-0.2 0.765 88.4 68.1 -44.0 -33.6 -23.6 -40.3 -17.7 75 324 A K G >4 S+ 0 0 97 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.878 89.6 62.5 -57.1 -40.2 -20.5 -38.3 -16.9 76 325 A L G X4 S+ 0 0 32 -3,-2.2 3,-0.9 1,-0.3 -1,-0.3 0.742 93.1 65.1 -58.9 -23.3 -22.6 -36.1 -14.6 77 326 A D G << S+ 0 0 98 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.567 101.4 49.9 -77.7 -7.6 -23.4 -39.1 -12.5 78 327 A H G < S+ 0 0 159 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.031 72.5 134.4-120.1 27.6 -19.7 -39.4 -11.5 79 328 A I < - 0 0 48 -3,-0.9 -3,-0.0 1,-0.1 -65,-0.0 -0.622 66.4-101.3 -77.0 132.0 -18.9 -35.8 -10.4 80 329 A S > - 0 0 52 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 -0.184 20.3-125.7 -54.7 144.3 -17.0 -35.9 -7.1 81 330 A E T 3 S+ 0 0 166 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.482 106.7 69.3 -70.0 -1.8 -19.0 -35.2 -4.0 82 331 A S T 3> S+ 0 0 15 1,-0.1 4,-3.0 2,-0.1 -1,-0.3 0.682 78.0 81.4 -89.1 -18.7 -16.5 -32.4 -3.2 83 332 A V H <> S+ 0 0 12 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.901 87.4 50.7 -54.5 -50.9 -17.6 -30.2 -6.1 84 333 A P H > S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.900 116.2 44.8 -56.9 -36.8 -20.6 -28.6 -4.4 85 334 A V H > S+ 0 0 22 -4,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.913 110.8 51.7 -72.8 -42.3 -18.3 -27.8 -1.5 86 335 A L H X S+ 0 0 7 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.866 112.2 48.5 -61.8 -34.6 -15.5 -26.6 -3.7 87 336 A E H X S+ 0 0 73 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.909 109.1 51.6 -70.5 -43.8 -18.0 -24.3 -5.4 88 337 A L H >< S+ 0 0 52 -4,-2.1 3,-0.7 -5,-0.2 -2,-0.2 0.948 115.1 43.9 -56.3 -49.2 -19.4 -23.0 -2.1 89 338 A F H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.917 111.2 50.5 -65.1 -46.9 -15.8 -22.2 -1.0 90 339 A S H 3< S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.535 94.1 74.9 -73.6 -3.1 -14.6 -20.6 -4.3 91 340 A N T << S+ 0 0 57 -4,-0.8 2,-0.5 -3,-0.7 -1,-0.3 0.490 73.8 98.2 -84.1 -2.0 -17.7 -18.4 -4.4 92 341 A I S X S- 0 0 1 -3,-1.6 3,-2.2 3,-0.1 2,-0.1 -0.757 90.2-114.4 -82.9 123.8 -16.0 -16.4 -1.6 93 342 A W T 3 S+ 0 0 74 -2,-0.5 34,-0.4 1,-0.3 35,-0.2 -0.420 103.2 27.5 -61.3 128.1 -14.3 -13.4 -3.3 94 343 A G T 3 S+ 0 0 32 1,-0.2 2,-0.5 -4,-0.2 -1,-0.3 0.296 101.3 96.4 102.9 -11.3 -10.5 -13.8 -2.9 95 344 A A < + 0 0 8 -3,-2.2 -1,-0.2 -5,-0.2 2,-0.1 -0.968 49.3 174.6-115.2 127.4 -10.6 -17.6 -2.6 96 345 A G > - 0 0 39 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.325 52.2 -66.7-112.2-162.0 -9.9 -19.7 -5.8 97 346 A T H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 128.2 53.6 -58.2 -43.2 -9.5 -23.4 -6.5 98 347 A K H > S+ 0 0 164 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 112.7 43.0 -60.7 -45.0 -6.3 -23.8 -4.5 99 348 A T H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.913 113.9 51.2 -67.6 -42.8 -7.7 -22.3 -1.4 100 349 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 111.6 47.8 -60.4 -45.6 -11.0 -24.2 -1.7 101 350 A Q H X S+ 0 0 71 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.912 111.8 50.0 -61.9 -42.7 -9.1 -27.5 -2.2 102 351 A M H X S+ 0 0 87 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.951 111.6 47.6 -61.2 -49.8 -6.9 -26.8 0.8 103 352 A W H <>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 -1,-0.2 0.893 112.5 50.6 -58.0 -39.3 -9.9 -26.0 3.0 104 353 A Y H ><5S+ 0 0 44 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.889 108.9 50.0 -66.9 -38.9 -11.6 -29.1 1.8 105 354 A Q H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.6 60.4 -68.5 -29.2 -8.5 -31.2 2.6 106 355 A Q T 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.456 124.6-102.3 -78.0 -0.5 -8.5 -29.7 6.0 107 356 A G T < 5S+ 0 0 42 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.305 73.0 142.6 100.1 -9.4 -11.9 -31.1 6.7 108 357 A F < + 0 0 19 -5,-1.8 -1,-0.3 1,-0.1 3,-0.1 -0.387 13.2 161.9 -69.0 141.1 -14.1 -28.0 6.2 109 358 A R + 0 0 102 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.492 57.6 40.4-133.8 -15.2 -17.5 -28.5 4.5 110 359 A S S > S- 0 0 41 1,-0.1 4,-2.1 -22,-0.0 -1,-0.2 -0.887 79.3-111.4-136.2 165.8 -19.5 -25.4 5.3 111 360 A L H > S+ 0 0 39 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.764 119.2 61.2 -68.5 -22.8 -19.1 -21.7 5.5 112 361 A E H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 104.8 48.1 -66.8 -41.4 -19.7 -22.1 9.3 113 362 A D H >>S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-1.0 0.932 113.2 47.5 -61.9 -46.2 -16.5 -24.2 9.2 114 363 A I H X5S+ 0 0 0 -4,-2.1 4,-1.3 3,-0.2 -2,-0.2 0.971 112.8 48.8 -59.4 -52.9 -14.7 -21.6 7.2 115 364 A R H <5S+ 0 0 148 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 120.9 34.0 -53.0 -47.6 -15.9 -18.8 9.6 116 365 A S H <5S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.789 136.2 10.9 -84.9 -28.9 -14.9 -20.6 12.8 117 366 A Q H <5S+ 0 0 125 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.647 94.1 100.7-126.4 -20.5 -11.8 -22.5 11.8 118 367 A A << - 0 0 18 -4,-1.3 2,-0.5 -5,-1.0 -15,-0.0 -0.299 69.5-118.1 -73.4 154.0 -10.3 -21.5 8.4 119 368 A S - 0 0 98 -2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.805 39.4-167.6 -87.4 127.9 -7.4 -19.2 7.9 120 369 A L - 0 0 52 -2,-0.5 2,-0.1 -5,-0.1 -25,-0.0 -0.966 18.1-134.0-125.3 136.0 -8.7 -16.3 5.9 121 370 A T > - 0 0 66 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.347 38.7-102.5 -75.2 166.3 -6.9 -13.5 4.0 122 371 A T H > S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.901 124.9 48.8 -56.9 -42.4 -8.1 -9.9 4.6 123 372 A Q H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.926 109.2 52.1 -63.8 -45.9 -9.9 -10.1 1.2 124 373 A Q H > S+ 0 0 11 1,-0.2 4,-3.0 -30,-0.2 -1,-0.2 0.859 105.1 55.7 -60.2 -35.9 -11.5 -13.4 1.9 125 374 A A H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.901 111.2 44.6 -63.3 -41.1 -12.9 -12.1 5.2 126 375 A I H X S+ 0 0 14 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.907 112.9 50.8 -69.3 -42.1 -14.6 -9.3 3.3 127 376 A G H < S+ 0 0 1 -4,-2.8 3,-0.5 -34,-0.4 -2,-0.2 0.920 111.2 49.8 -61.7 -40.8 -15.8 -11.8 0.7 128 377 A L H >< S+ 0 0 31 -4,-3.0 3,-1.9 1,-0.2 4,-0.2 0.936 106.4 53.2 -64.6 -45.9 -17.2 -14.0 3.4 129 378 A K H 3< S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.710 118.1 37.7 -65.4 -17.5 -19.1 -11.3 5.2 130 379 A H T 3X S+ 0 0 15 -4,-1.1 4,-2.9 -3,-0.5 -1,-0.3 0.033 80.1 131.2-117.6 24.5 -20.8 -10.3 1.9 131 380 A Y H <> S+ 0 0 32 -3,-1.9 4,-0.5 1,-0.2 -1,-0.1 0.878 75.1 38.8 -45.2 -54.7 -21.2 -13.8 0.7 132 381 A S H >> S+ 0 0 86 -4,-0.2 3,-1.1 1,-0.2 4,-0.6 0.927 116.0 51.8 -66.6 -43.9 -24.9 -13.6 -0.3 133 382 A D H >4 S+ 0 0 13 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.918 106.0 53.6 -59.6 -45.4 -24.7 -10.0 -1.6 134 383 A F H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.611 102.2 59.6 -68.2 -10.2 -21.7 -10.8 -3.9 135 384 A L H << S+ 0 0 79 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.3 0.633 93.1 85.8 -90.0 -13.5 -23.6 -13.7 -5.5 136 385 A E S << S- 0 0 120 -3,-1.4 2,-0.5 -4,-0.6 -3,-0.0 -0.629 71.1-139.6 -91.6 144.8 -26.4 -11.4 -6.6 137 386 A R - 0 0 128 -2,-0.3 40,-0.3 96,-0.1 3,-0.1 -0.858 25.2-132.7 -99.4 134.5 -26.5 -9.3 -9.8 138 387 A M E -A 176 0A 1 38,-3.1 38,-2.8 -2,-0.5 40,-0.1 -0.528 24.9 -95.9 -88.1 155.8 -28.0 -5.9 -9.3 139 388 A P E >> -A 175 0A 60 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.408 35.2-116.3 -67.3 145.1 -30.6 -4.2 -11.5 140 389 A R H 3> S+ 0 0 62 34,-2.4 4,-1.9 1,-0.3 5,-0.2 0.873 114.8 63.6 -48.4 -40.8 -29.1 -2.0 -14.2 141 390 A E H 3> S+ 0 0 125 1,-0.2 4,-1.6 33,-0.2 -1,-0.3 0.862 101.8 48.4 -53.2 -41.8 -30.9 1.0 -12.5 142 391 A E H <> S+ 0 0 14 -3,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.886 106.4 57.0 -68.2 -38.3 -28.8 0.5 -9.3 143 392 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.858 104.9 53.1 -60.1 -36.3 -25.6 0.3 -11.4 144 393 A T H X S+ 0 0 46 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.936 106.9 50.9 -64.1 -46.7 -26.5 3.7 -12.8 145 394 A E H X S+ 0 0 75 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.854 111.6 48.1 -60.0 -36.6 -26.9 5.2 -9.3 146 395 A I H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.923 111.9 48.8 -70.8 -43.3 -23.5 3.8 -8.3 147 396 A E H >X S+ 0 0 19 -4,-2.4 4,-2.9 1,-0.2 3,-0.6 0.960 112.0 49.1 -58.6 -51.6 -21.9 5.1 -11.4 148 397 A Q H 3X S+ 0 0 81 -4,-3.1 4,-2.5 1,-0.3 -1,-0.2 0.835 106.9 56.8 -57.7 -34.5 -23.4 8.6 -10.8 149 398 A T H 3X S+ 0 0 24 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.3 0.858 112.2 41.2 -65.8 -36.9 -22.2 8.5 -7.2 150 399 A V H X S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 4,-1.3 0.954 109.3 51.4 -74.4 -51.3 -15.0 12.7 -8.9 155 404 A Q H 3< S+ 0 0 73 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.663 94.6 74.7 -61.4 -15.0 -16.2 15.7 -10.8 156 405 A A T 3< S+ 0 0 84 -4,-1.2 -1,-0.3 -5,-0.2 3,-0.2 0.786 102.8 40.4 -67.1 -26.2 -16.3 17.6 -7.5 157 406 A F T <4 S+ 0 0 73 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.857 140.6 2.6 -86.7 -44.0 -12.4 17.7 -7.8 158 407 A N >< - 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