==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-07 2OIB . COMPND 2 MOLECULE: INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.G.VILLASENOR,M.F.BROWNER . 1135 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 776 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 78 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 7 3 5 4 0 0 0 3 1 0 4 2 3 3 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 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 0 0 0 PARALLEL BRIDGES PER LADDER . 11 9 4 5 2 2 3 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 . 6 0 4 1 1 2 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 1 162 A D 0 0 150 0, 0.0 2,-1.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 68.6 28.7 -9.6 -15.5 2 163 A T - 0 0 84 1,-0.2 64,-0.0 64,-0.0 0, 0.0 -0.535 360.0 -54.6 -93.1 69.4 30.5 -12.6 -14.0 3 164 A R S S+ 0 0 202 -2,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.944 81.6 167.8 58.5 56.2 27.7 -15.2 -14.6 4 165 A F - 0 0 28 1,-0.0 2,-0.4 77,-0.0 77,-0.3 -0.704 40.4-105.6 -89.2 149.4 24.8 -13.5 -12.9 5 166 A H E -a 81 0A 97 75,-2.3 77,-2.2 -2,-0.3 2,-0.7 -0.624 25.7-139.0 -78.8 129.3 21.3 -14.9 -13.5 6 167 A S E -a 82 0A 76 -2,-0.4 2,-0.3 75,-0.2 77,-0.2 -0.811 23.2-165.2 -89.5 114.4 19.1 -12.9 -15.8 7 168 A F E -a 83 0A 18 75,-3.7 77,-0.5 -2,-0.7 2,-0.3 -0.751 17.7-128.8 -97.1 145.4 15.5 -12.7 -14.5 8 169 A S >> - 0 0 38 -2,-0.3 4,-1.1 75,-0.1 3,-0.6 -0.688 28.9-117.2 -82.4 149.6 12.4 -11.6 -16.3 9 170 A F H 3> S+ 0 0 36 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.863 110.7 58.4 -55.3 -43.1 10.4 -9.0 -14.4 10 171 A Y H 3> S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.812 100.2 57.6 -60.8 -35.1 7.3 -11.2 -14.0 11 172 A E H <> S+ 0 0 64 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.937 112.1 40.5 -57.9 -49.1 9.3 -13.9 -12.2 12 173 A L H X S+ 0 0 0 -4,-1.1 4,-0.6 -3,-0.2 7,-0.3 0.819 112.8 54.7 -73.4 -34.3 10.4 -11.3 -9.5 13 174 A K H ><>S+ 0 0 77 -4,-2.3 5,-2.1 2,-0.2 3,-0.7 0.925 109.9 49.2 -61.1 -45.9 6.9 -9.7 -9.4 14 175 A N H ><5S+ 0 0 104 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.955 111.0 47.1 -55.9 -54.0 5.4 -13.1 -8.7 15 176 A V H 3<5S+ 0 0 41 -4,-2.0 26,-1.0 1,-0.3 -1,-0.2 0.498 108.3 55.9 -76.7 -3.0 7.8 -14.1 -5.9 16 177 A T T > -b 30 0A 50 0, 0.0 5,-2.4 0, 0.0 3,-1.4 -0.210 31.3-117.8 -51.7 149.7 6.9 -3.9 5.9 24 185 A I G > 5S+ 0 0 69 6,-1.7 3,-2.3 1,-0.3 7,-0.1 0.897 113.7 61.5 -58.1 -41.7 7.3 -7.6 6.5 25 186 A S G 3 5S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 6,-0.0 0.607 106.7 46.5 -63.5 -12.5 6.2 -7.2 10.1 26 187 A V G < 5S- 0 0 88 -3,-1.4 -1,-0.3 0, 0.0 -2,-0.2 0.170 133.8 -86.9-114.2 14.2 2.8 -5.9 8.9 27 188 A G T < 5S+ 0 0 49 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.317 94.3 105.9 103.6 -6.6 2.3 -8.6 6.3 28 189 A G S - D 0 45A 28 3,-2.8 3,-2.3 -2,-0.6 -2,-0.1 -0.976 63.0 -23.4-120.8 122.7 12.9 -18.2 -5.7 43 206 A N T 3 S- 0 0 95 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.876 125.3 -45.2 52.0 55.0 13.7 -21.9 -6.3 44 207 A N T 3 S+ 0 0 105 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.454 123.7 102.9 69.1 -0.7 13.8 -23.1 -2.7 45 208 A T E < -D 42 0A 40 -3,-2.3 -3,-2.8 774,-0.1 2,-0.4 -0.902 68.2-135.6-114.8 140.7 15.9 -20.0 -1.9 46 209 A T E -D 41 0A 38 -2,-0.4 49,-0.8 -5,-0.2 2,-0.3 -0.773 33.6-175.6 -84.9 140.1 15.0 -16.8 -0.1 47 210 A V E -DE 40 94A 6 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.5 -0.902 29.2-121.8-133.3 162.0 16.4 -13.7 -1.9 48 211 A A E -DE 39 93A 11 45,-2.6 45,-3.1 -2,-0.3 2,-0.6 -0.942 27.9-164.7-101.3 123.9 16.7 -10.0 -1.5 49 212 A V E -DE 38 92A 0 -11,-3.4 -11,-3.8 -2,-0.5 2,-0.6 -0.941 3.7-163.4-115.6 113.7 15.1 -8.1 -4.5 50 213 A K E DE 37 91A 33 41,-3.5 41,-2.4 -2,-0.6 -13,-0.2 -0.867 360.0 360.0 -96.4 119.5 16.0 -4.4 -4.9 51 214 A K 0 0 77 -15,-3.1 -1,-0.2 -2,-0.6 -14,-0.1 0.844 360.0 360.0-101.4 360.0 13.6 -2.7 -7.3 52 ! 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 53 222 A T > 0 0 120 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 128.0 16.2 10.0 -15.0 54 223 A T H > + 0 0 106 2,-0.2 4,-1.2 1,-0.2 0, 0.0 0.909 360.0 41.3 -73.9 -45.6 15.6 6.8 -17.1 55 224 A E H > S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.841 117.0 49.0 -71.3 -34.7 19.0 6.7 -18.9 56 225 A E H > S+ 0 0 109 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.754 107.2 53.4 -80.8 -27.2 21.0 7.7 -15.8 57 226 A L H X S+ 0 0 103 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.854 106.8 56.0 -68.6 -36.6 19.2 5.1 -13.5 58 227 A K H X S+ 0 0 75 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.849 106.3 48.0 -63.0 -39.3 20.3 2.5 -16.1 59 228 A Q H X S+ 0 0 120 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.775 111.3 50.0 -77.0 -25.9 24.0 3.5 -15.9 60 229 A Q H X S+ 0 0 79 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.874 110.4 51.7 -72.1 -40.7 23.8 3.3 -12.1 61 230 A F H X S+ 0 0 14 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.933 113.9 42.9 -54.7 -50.9 22.2 -0.1 -12.5 62 231 A D H X S+ 0 0 76 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.810 111.1 57.6 -65.1 -33.4 25.1 -1.1 -14.8 63 232 A Q H X S+ 0 0 66 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.900 106.6 46.4 -64.5 -44.6 27.6 0.5 -12.4 64 233 A E H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.894 110.1 52.4 -69.7 -40.0 26.5 -1.6 -9.4 65 234 A I H X S+ 0 0 15 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.906 108.7 53.1 -58.8 -42.1 26.6 -4.8 -11.4 66 235 A K H X S+ 0 0 162 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.910 111.4 44.7 -56.7 -48.2 30.2 -3.8 -12.5 67 236 A V H X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.896 115.1 48.0 -64.0 -41.6 31.2 -3.4 -8.8 68 237 A M H < S+ 0 0 3 -4,-2.7 11,-0.3 2,-0.2 -2,-0.2 0.743 107.9 55.2 -75.7 -25.7 29.5 -6.6 -7.8 69 238 A A H < S+ 0 0 17 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.891 117.2 36.3 -68.1 -40.8 31.1 -8.6 -10.6 70 239 A K H < S+ 0 0 108 -4,-1.5 2,-0.8 1,-0.2 -2,-0.2 0.760 109.9 66.4 -85.1 -27.7 34.6 -7.5 -9.5 71 240 A C < + 0 0 2 -4,-2.1 2,-0.5 -5,-0.1 -1,-0.2 -0.772 55.7 154.3-109.1 91.7 34.0 -7.5 -5.7 72 241 A Q + 0 0 69 -2,-0.8 2,-0.3 -3,-0.1 6,-0.1 -0.971 15.5 139.2-117.6 122.4 33.4 -11.0 -4.3 73 242 A H > - 0 0 19 -2,-0.5 3,-2.2 3,-0.3 651,-0.2 -0.975 61.0-112.8-163.3 144.6 34.3 -11.7 -0.6 74 243 A E T 3 S+ 0 0 44 649,-2.3 650,-0.1 -2,-0.3 4,-0.1 0.771 118.4 51.0 -52.5 -29.7 32.9 -13.6 2.4 75 244 A N T 3 S+ 0 0 8 648,-0.2 83,-3.1 82,-0.1 2,-0.4 0.144 100.2 77.6 -98.4 19.5 32.3 -10.2 4.1 76 245 A L B < S-g 158 0B 4 -3,-2.2 -3,-0.3 81,-0.3 83,-0.2 -0.982 88.5-108.1-124.7 139.1 30.4 -8.7 1.1 77 246 A V - 0 0 5 81,-2.9 2,-0.4 -2,-0.4 -2,-0.1 -0.450 39.6-131.2 -58.0 133.0 26.8 -9.3 0.1 78 247 A E - 0 0 57 -2,-0.1 16,-2.3 -4,-0.1 2,-0.4 -0.792 8.3-131.3 -94.7 132.9 26.8 -11.4 -3.2 79 248 A L E - F 0 93A 4 -2,-0.4 14,-0.3 -11,-0.3 3,-0.1 -0.734 21.6-177.2 -80.8 128.7 24.8 -10.4 -6.2 80 249 A L E - 0 0 37 12,-3.0 -75,-2.3 -2,-0.4 2,-0.3 0.790 55.2 -49.6 -96.0 -36.3 22.8 -13.3 -7.6 81 250 A G E -aF 5 92A 0 11,-2.1 11,-2.9 -77,-0.3 -1,-0.3 -0.959 46.1-127.5-176.9-166.0 21.2 -11.7 -10.6 82 251 A F E -aF 6 91A 39 -77,-2.2 -75,-3.7 -2,-0.3 2,-0.3 -0.940 7.2-138.7-156.8 169.6 19.2 -8.9 -12.1 83 252 A S E +aF 7 90A 0 7,-2.3 7,-2.3 -2,-0.3 -75,-0.1 -0.981 22.5 160.6-143.8 131.8 16.2 -8.0 -14.3 84 253 A S + 0 0 57 -77,-0.5 5,-0.1 -2,-0.3 -76,-0.1 -0.341 58.0 76.0-146.7 60.3 15.9 -5.4 -17.0 85 254 A D S S+ 0 0 94 3,-0.3 4,-0.1 -78,-0.1 -77,-0.1 0.466 75.6 71.3-140.7 -20.2 12.8 -6.1 -19.3 86 255 A G S S- 0 0 26 2,-0.4 -78,-0.0 1,-0.0 3,-0.0 -0.077 109.0-106.7 -95.7 33.0 9.8 -5.0 -17.3 87 256 A D S S+ 0 0 153 1,-0.1 2,-0.3 0, 0.0 -3,-0.0 0.662 103.8 87.9 53.1 19.8 10.5 -1.3 -17.7 88 257 A D S S- 0 0 65 2,-0.0 -2,-0.4 0, 0.0 -3,-0.3 -0.880 78.1-133.2-153.6 107.0 11.5 -1.5 -14.0 89 258 A L - 0 0 36 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.424 24.3-174.8 -76.5 132.9 15.1 -2.5 -13.0 90 259 A C E - F 0 83A 0 -7,-2.3 -7,-2.3 -2,-0.2 2,-0.4 -0.950 14.9-160.7-126.7 148.6 15.7 -5.1 -10.3 91 260 A L E -EF 50 82A 7 -41,-2.4 -41,-3.5 -2,-0.3 2,-0.5 -0.991 12.5-153.8-124.2 135.6 18.8 -6.5 -8.5 92 261 A V E +EF 49 81A 0 -11,-2.9 -12,-3.0 -2,-0.4 -11,-2.1 -0.943 17.8 178.0-117.7 126.5 18.7 -9.8 -6.7 93 262 A Y E -EF 48 79A 17 -45,-3.1 -45,-2.6 -2,-0.5 -14,-0.2 -0.827 39.2 -82.6-125.8 160.1 21.0 -10.6 -3.8 94 263 A V E -E 47 0A 34 -16,-2.3 2,-0.4 -2,-0.3 -47,-0.2 -0.406 52.7-120.1 -55.1 131.7 21.8 -13.4 -1.3 95 264 A Y - 0 0 59 -49,-0.8 -49,-0.1 -2,-0.1 -1,-0.1 -0.696 16.9-150.7 -85.3 131.5 19.4 -13.1 1.6 96 265 A M > - 0 0 12 -2,-0.4 3,-1.6 1,-0.1 54,-0.2 -0.900 4.8-159.7-109.0 103.9 20.9 -12.5 5.0 97 266 A P T 3 S+ 0 0 53 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.672 84.6 57.0 -60.3 -26.1 18.5 -14.0 7.6 98 267 A N T 3 S- 0 0 34 52,-2.0 53,-0.1 1,-0.2 6,-0.1 0.289 96.0-145.3 -96.9 13.7 19.7 -12.1 10.6 99 268 A G < - 0 0 24 -3,-1.6 51,-2.1 51,-0.3 -1,-0.2 -0.121 42.6 -21.7 64.1-155.2 19.1 -8.6 9.1 100 269 A S B > -H 149 0B 8 49,-0.2 4,-1.7 1,-0.1 49,-0.2 -0.506 50.6-121.6 -90.0 156.5 21.2 -5.5 9.7 101 270 A L H > S+ 0 0 0 47,-2.8 4,-2.9 44,-1.0 5,-0.2 0.860 113.2 62.9 -57.9 -36.6 23.6 -4.7 12.6 102 271 A L H > S+ 0 0 54 43,-1.3 4,-1.6 46,-0.2 -1,-0.2 0.945 106.6 41.6 -55.1 -52.5 21.4 -1.7 13.2 103 272 A D H >>S+ 0 0 49 1,-0.2 5,-2.7 2,-0.2 4,-0.6 0.791 114.2 51.8 -68.7 -30.1 18.4 -3.8 14.0 104 273 A R H <5S+ 0 0 21 -4,-1.7 10,-0.3 3,-0.2 -1,-0.2 0.869 108.5 51.2 -75.2 -34.2 20.4 -6.3 16.1 105 274 A L H <5S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 115.3 42.3 -67.4 -33.5 22.0 -3.6 18.1 106 275 A S H <5S- 0 0 53 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.578 108.8-127.8 -87.4 -7.7 18.5 -2.2 18.8 107 276 A C T ><5 - 0 0 1 -4,-0.6 3,-1.6 1,-0.1 4,-0.3 0.847 35.2-162.3 61.7 37.8 17.1 -5.7 19.4 108 277 A L G > < + 0 0 41 -5,-2.7 3,-1.0 1,-0.3 1001,-0.2 -0.164 67.9 11.2 -52.9 137.9 14.4 -5.0 16.9 109 278 A D G 3 S- 0 0 66 999,-2.4 -1,-0.3 1001,-0.4 1002,-0.2 0.735 133.5 -64.7 61.0 22.7 11.4 -7.4 17.1 110 279 A G G < S+ 0 0 13 -3,-1.6 -1,-0.2 998,-0.4 -2,-0.2 0.673 82.3 160.6 81.3 21.0 12.7 -8.9 20.4 111 280 A T < - 0 0 17 -3,-1.0 -1,-0.2 -4,-0.3 327,-0.1 -0.360 48.4 -91.8 -69.4 153.0 15.9 -10.5 19.3 112 281 A P - 0 0 41 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 -0.427 46.0 -99.9 -66.7 136.7 18.6 -11.3 22.0 113 282 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.241 43.2-108.5 -49.9 142.7 21.2 -8.6 22.7 114 283 A L - 0 0 12 -10,-0.3 2,-0.0 -3,-0.1 131,-0.0 -0.593 32.7-122.6 -76.8 138.1 24.5 -9.4 20.9 115 284 A S > - 0 0 45 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.310 20.9-111.9 -72.7 164.0 27.4 -10.4 23.2 116 285 A W H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 119.1 54.4 -62.2 -42.1 30.7 -8.6 23.3 117 286 A H H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 110.9 44.1 -54.9 -51.6 32.4 -11.6 21.7 118 287 A M H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 110.7 55.9 -60.2 -44.7 30.0 -11.6 18.8 119 288 A R H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.891 107.5 48.6 -55.7 -43.1 30.3 -7.8 18.5 120 289 A C H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.898 110.9 50.6 -63.7 -43.0 34.1 -8.1 18.1 121 290 A K H X S+ 0 0 97 -4,-1.9 4,-2.5 2,-0.2 35,-0.2 0.888 111.7 47.3 -59.2 -43.8 33.7 -10.8 15.5 122 291 A I H X S+ 0 0 1 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.917 111.2 51.2 -65.4 -44.9 31.2 -8.6 13.5 123 292 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.902 112.5 46.6 -56.9 -44.1 33.5 -5.6 13.8 124 293 A Q H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.903 112.7 49.9 -65.2 -44.8 36.5 -7.7 12.5 125 294 A G H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.937 110.5 49.1 -56.8 -50.9 34.3 -9.1 9.7 126 295 A A H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.930 111.2 50.0 -55.8 -48.3 33.1 -5.6 8.6 127 296 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.877 109.0 52.2 -58.2 -41.7 36.8 -4.4 8.6 128 297 A N H X S+ 0 0 40 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.908 110.0 49.3 -61.2 -41.9 37.8 -7.4 6.5 129 298 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.930 112.6 45.5 -61.6 -49.5 35.0 -6.5 4.0 130 299 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.901 109.1 57.8 -62.3 -41.8 36.0 -2.8 3.8 131 300 A N H X S+ 0 0 12 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.934 104.6 50.7 -52.6 -50.6 39.7 -3.9 3.5 132 301 A F H X S+ 0 0 14 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.890 110.8 49.9 -53.2 -43.1 38.8 -6.0 0.3 133 302 A L H <>S+ 0 0 1 -4,-1.7 5,-2.5 2,-0.2 -2,-0.2 0.946 113.8 43.2 -64.8 -48.2 37.0 -3.0 -1.2 134 303 A H H ><5S+ 0 0 28 -4,-2.6 3,-2.1 3,-0.2 -2,-0.2 0.924 111.6 54.3 -65.2 -43.2 39.9 -0.6 -0.6 135 304 A E H 3<5S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 111.5 47.0 -54.5 -34.1 42.5 -3.2 -1.8 136 305 A N T 3<5S- 0 0 44 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.074 124.0-107.8-101.1 20.3 40.4 -3.4 -4.9 137 306 A H T < 5S+ 0 0 96 -3,-2.1 30,-2.9 1,-0.2 2,-0.3 0.834 72.6 133.0 61.6 44.2 40.2 0.3 -5.3 138 307 A H E < -J 166 0C 11 -5,-2.5 2,-0.5 28,-0.3 28,-0.2 -0.931 43.2-152.6-120.9 148.1 36.6 0.9 -4.4 139 308 A I E -J 165 0C 5 26,-3.0 26,-2.4 -2,-0.3 56,-0.0 -0.989 4.9-157.8-116.2 126.9 35.0 3.5 -2.0 140 309 A H - 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0 0 2 -2,-0.6 3,-1.9 -23,-0.2 4,-0.6 -0.983 60.1-124.2-156.7 141.6 38.1 9.3 -0.7 194 366 A P H 3> S+ 0 0 36 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.713 107.6 73.8 -61.5 -18.1 38.4 5.9 1.0 195 367 A K H 3> S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.768 88.5 60.5 -63.8 -27.7 39.4 7.9 4.1 196 368 A S H <> S+ 0 0 9 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.871 98.6 55.5 -67.6 -39.3 35.7 8.8 4.4 197 369 A D H X S+ 0 0 0 -4,-0.6 4,-2.3 -3,-0.3 -2,-0.2 0.889 105.4 53.3 -56.0 -44.1 34.7 5.1 4.7 198 370 A I H X S+ 0 0 3 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.910 107.7 50.4 -56.5 -49.8 37.1 4.8 7.7 199 371 A Y H X S+ 0 0 6 -4,-1.5 4,-1.1 1,-0.2 3,-0.2 0.923 111.2 48.1 -56.3 -48.0 35.5 7.7 9.4 200 372 A S H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 3,-0.4 0.874 107.3 56.1 -62.4 -37.2 32.0 6.2 8.9 201 373 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.847 100.4 60.2 -64.4 -32.4 33.3 2.9 10.2 202 374 A G H X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.2 -1,-0.2 0.856 103.1 50.2 -60.2 -38.0 34.4 4.8 13.4 203 375 A V H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.914 108.6 53.2 -64.9 -43.3 30.7 5.7 14.0 204 376 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.918 105.6 52.8 -56.0 -48.7 29.8 2.0 13.5 205 377 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.872 107.2 53.3 -57.1 -37.3 32.3 1.0 16.2 206 378 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 6,-0.3 0.904 107.4 50.3 -63.8 -41.4 30.7 3.5 18.5 207 379 A E H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.882 109.4 52.1 -62.3 -40.9 27.3 1.9 17.9 208 380 A I H < S+ 0 0 2 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.902 113.6 43.4 -61.1 -43.9 28.7 -1.5 18.6 209 381 A I H < S+ 0 0 0 -4,-2.0 34,-2.8 -5,-0.2 -2,-0.2 0.918 129.3 25.4 -67.9 -44.4 30.2 -0.3 22.0 210 382 A T H < S- 0 0 6 -4,-2.5 34,-0.2 32,-0.3 -2,-0.2 0.665 89.0-135.4 -97.7 -23.2 27.2 1.7 23.1 211 383 A G < + 0 0 13 -4,-3.1 -4,-0.1 -5,-0.3 -3,-0.1 0.598 63.1 132.0 69.0 12.6 24.3 -0.0 21.3 212 384 A L - 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0 0 72 -2,-0.2 4,-0.6 1,-0.1 3,-0.5 -0.836 28.9-116.5-119.8 160.2 34.2 8.0 30.2 238 410 A I H >> S+ 0 0 12 -2,-0.3 3,-1.2 1,-0.2 4,-0.9 0.855 117.7 65.4 -61.1 -31.3 33.7 5.3 27.6 239 411 A E H 34 S+ 0 0 77 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.841 93.7 58.1 -58.6 -39.1 32.6 3.2 30.6 240 412 A D H <4 S+ 0 0 91 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.774 112.1 41.2 -58.4 -29.8 29.6 5.6 31.1 241 413 A Y H << S+ 0 0 25 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.519 80.7 125.1-103.3 -8.9 28.4 4.8 27.5 242 414 A I S < S- 0 0 28 -4,-0.9 -32,-0.3 -3,-0.5 -33,-0.1 -0.267 74.4 -98.1 -57.8 134.4 29.0 1.0 27.2 243 415 A D - 0 0 11 -34,-2.8 3,-0.3 1,-0.2 -32,-0.1 -0.353 27.0-153.5 -52.7 123.7 25.9 -1.0 26.3 244 416 A K S S+ 0 0 136 -34,-0.2 726,-2.5 1,-0.2 2,-0.8 0.639 80.6 85.3 -76.0 -16.0 24.5 -2.5 29.5 245 417 A K S S+ 0 0 29 724,-0.2 2,-0.3 725,-0.2 -1,-0.2 -0.170 80.2 72.4 -84.3 39.6 22.9 -5.3 27.5 246 418 A M - 0 0 12 -2,-0.8 724,-0.4 -3,-0.3 725,-0.3 -0.971 50.7-172.8-143.0 151.9 26.1 -7.4 27.6 247 419 A N S S+ 0 0 110 -2,-0.3 724,-0.1 723,-0.3 -132,-0.1 0.363 82.7 61.4-120.2 -0.2 27.7 -9.3 30.5 248 420 A D + 0 0 56 2,-0.1 2,-1.0 722,-0.0 -133,-0.0 0.046 67.3 119.9-115.3 23.7 31.0 -10.3 28.7 249 421 A A - 0 0 32 -6,-0.1 2,-0.2 -133,-0.1 -3,-0.1 -0.736 46.4-161.5 -96.3 93.6 32.4 -6.9 28.0 250 422 A D > - 0 0 85 -2,-1.0 4,-1.9 1,-0.1 3,-0.3 -0.506 24.4-123.0 -74.1 140.5 35.8 -6.5 29.7 251 423 A S H > S+ 0 0 58 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.819 105.0 58.5 -48.2 -41.5 37.1 -3.0 30.1 252 424 A T H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 109.7 38.2 -62.5 -53.4 40.4 -3.7 28.3 253 425 A S H > S+ 0 0 11 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.851 115.4 54.4 -69.7 -34.3 39.0 -4.8 24.9 254 426 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.912 111.2 45.3 -61.8 -44.5 36.2 -2.2 25.0 255 427 A E H X S+ 0 0 98 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.884 111.4 53.6 -64.8 -41.4 38.8 0.5 25.5 256 428 A A H X S+ 0 0 33 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.897 111.0 45.7 -58.0 -43.8 40.9 -1.1 22.7 257 429 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 3,-0.2 0.922 110.8 52.5 -66.7 -43.7 37.9 -0.9 20.4 258 430 A Y H X S+ 0 0 29 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.869 105.2 56.3 -58.3 -38.3 37.1 2.7 21.4 259 431 A S H X S+ 0 0 59 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.875 108.4 46.6 -61.5 -40.1 40.7 3.7 20.6 260 432 A V H X S+ 0 0 2 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.963 113.6 49.2 -63.0 -51.1 40.3 2.3 17.1 261 433 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.870 109.9 51.2 -54.3 -44.2 36.9 4.2 16.8 262 434 A S H < S+ 0 0 26 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.898 111.3 46.9 -65.4 -42.9 38.5 7.5 18.1 263 435 A Q H >< S+ 0 0 74 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.897 110.3 53.3 -62.3 -43.7 41.4 7.3 15.6 264 436 A C H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.831 105.7 56.9 -57.3 -33.5 38.9 6.5 12.8 265 437 A L T 3< + 0 0 7 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.199 69.9 137.9 -91.9 14.4 36.9 9.6 13.8 266 438 A H < - 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0 0 55 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.691 62.9-112.1 -95.6 144.2 25.6 -37.1 18.1 497 385 B P - 0 0 49 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.385 29.6-111.9 -71.3 153.4 22.0 -38.4 18.1 498 386 B A S S+ 0 0 3 1,-0.2 10,-2.4 9,-0.1 11,-0.4 0.767 102.7 24.7 -58.0 -30.8 21.0 -40.9 20.8 499 387 B V B +Y 507 0L 74 8,-0.2 2,-0.3 9,-0.1 8,-0.2 -0.999 61.3 164.3-139.3 137.0 20.7 -43.7 18.2 500 388 B D > - 0 0 54 6,-2.3 3,-0.9 -2,-0.4 -4,-0.0 -0.862 22.4-160.3-150.1 112.9 22.2 -44.1 14.7 501 389 B E T 3 S+ 0 0 133 -2,-0.3 2,-0.2 1,-0.3 5,-0.1 0.809 94.5 62.2 -60.2 -29.9 22.2 -47.4 12.9 502 390 B H T 3 S+ 0 0 53 4,-0.1 2,-0.3 288,-0.1 -1,-0.3 -0.073 99.5 74.7 -87.4 34.3 25.1 -46.2 10.7 503 391 B R S < S- 0 0 25 -3,-0.9 -3,-0.1 -2,-0.2 4,-0.0 -0.984 79.6-108.2-148.7 148.8 27.3 -45.8 13.8 504 392 B E S S+ 0 0 120 -2,-0.3 2,-0.1 1,-0.3 285,-0.1 -0.975 113.4 29.8-124.2 115.9 29.4 -47.9 16.2 505 393 B P S S- 0 0 14 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.553 82.7-160.5 -81.2 159.1 28.1 -47.9 18.8 506 394 B Q S S+ 0 0 94 1,-0.1 -6,-2.3 -2,-0.1 2,-0.6 0.834 81.3 58.4 -69.8 -33.0 24.6 -47.6 17.5 507 395 B L B > S-Y 499 0L 61 -8,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.892 76.1-148.0-106.4 117.8 23.4 -46.4 20.9 508 396 B L G > S+ 0 0 0 -10,-2.4 3,-1.9 -2,-0.6 4,-0.2 0.773 92.4 66.7 -52.0 -36.7 25.1 -43.2 22.3 509 397 B L G > S+ 0 0 30 -11,-0.4 3,-2.0 -44,-0.3 4,-0.4 0.810 86.1 71.9 -58.3 -28.9 24.8 -44.3 26.0 510 398 B D G X> S+ 0 0 74 -3,-1.7 4,-1.8 1,-0.3 3,-0.7 0.680 77.8 78.9 -62.7 -17.9 27.3 -47.1 25.3 511 399 B I H <> S+ 0 0 1 -3,-1.9 4,-2.4 -4,-0.3 -1,-0.3 0.787 81.2 67.0 -59.0 -29.9 30.0 -44.5 25.0 512 400 B K H <> S+ 0 0 7 -3,-2.0 4,-2.0 -4,-0.2 -1,-0.2 0.894 105.9 40.0 -57.7 -43.1 30.1 -44.3 28.8 513 401 B E H <> S+ 0 0 56 -3,-0.7 4,-2.7 -4,-0.4 6,-0.2 0.854 111.1 57.5 -76.2 -37.0 31.4 -47.9 29.0 514 402 B E H <>S+ 0 0 32 -4,-1.8 5,-2.4 1,-0.2 6,-1.3 0.902 114.0 39.9 -55.0 -43.2 33.7 -47.3 26.0 515 403 B I H ><5S+ 0 0 27 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.845 114.6 51.6 -77.7 -37.4 35.3 -44.4 28.0 516 404 B E H 3<5S+ 0 0 107 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.836 109.2 50.0 -67.5 -35.1 35.2 -46.3 31.3 517 405 B D T 3<5S- 0 0 101 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.084 114.3-127.8 -88.3 33.6 37.0 -49.2 29.7 518 406 B E T < 5S+ 0 0 170 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.614 74.5 126.6 9.5 49.3 39.4 -46.5 28.5 519 407 B E S > - 0 0 66 -2,-0.3 3,-0.7 -3,-0.1 4,-0.5 -0.793 26.7-117.0-112.2 161.5 38.4 -40.7 25.9 522 410 B I H >> S+ 0 0 17 -2,-0.3 3,-1.3 1,-0.2 4,-1.1 0.872 117.9 61.2 -63.4 -34.5 35.6 -38.0 26.2 523 411 B E H 34 S+ 0 0 122 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.791 97.7 58.3 -58.6 -30.9 38.0 -35.7 24.3 524 412 B D H <4 S+ 0 0 76 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.717 111.4 42.1 -69.9 -21.5 37.7 -38.2 21.4 525 413 B Y H << S+ 0 0 32 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.523 80.0 124.3-105.9 -8.7 33.9 -37.7 21.4 526 414 B I S < S- 0 0 32 -4,-1.1 -32,-0.3 -3,-0.1 2,-0.1 -0.291 78.9 -94.3 -52.0 133.2 33.7 -33.9 21.9 527 415 B D > - 0 0 11 -34,-2.6 3,-1.2 1,-0.2 -32,-0.1 -0.333 29.5-151.8 -53.3 121.1 31.6 -32.4 19.0 528 416 B K T 3 S+ 0 0 141 -34,-0.3 152,-2.3 1,-0.3 153,-0.3 0.713 88.3 76.0 -71.6 -18.3 34.1 -31.4 16.3 529 417 B K T 3 S+ 0 0 32 150,-0.2 2,-0.3 151,-0.2 -1,-0.3 0.417 85.5 78.5 -75.8 2.9 31.6 -28.7 15.2 530 418 B M < + 0 0 11 -3,-1.2 150,-0.5 150,-0.2 151,-0.2 -0.745 47.4 177.7-101.9 159.4 32.6 -26.5 18.2 531 419 B N S S+ 0 0 118 -2,-0.3 -1,-0.1 149,-0.2 -131,-0.1 0.443 75.7 60.7-129.1 -8.2 35.6 -24.4 18.6 532 420 B D + 0 0 46 2,-0.1 2,-0.6 0, 0.0 -132,-0.0 0.072 69.3 122.3-109.9 21.7 35.0 -22.8 22.1 533 421 B A - 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0 0 53 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.679 61.4-113.2 -90.7 141.3 12.1 3.5 28.6 1077 385 D P - 0 0 53 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 -0.388 27.0-114.8 -68.1 154.5 13.4 4.4 32.1 1078 386 D A S S+ 0 0 4 1,-0.2 10,-2.9 9,-0.1 11,-0.4 0.796 102.8 27.6 -63.4 -32.1 11.3 6.8 34.2 1079 387 D V B +U 1087 0V 81 8,-0.2 2,-0.3 9,-0.1 8,-0.2 -1.000 62.2 170.5-131.0 134.3 14.2 9.3 34.1 1080 388 D D > - 0 0 58 6,-2.2 3,-1.8 -2,-0.4 -4,-0.0 -0.892 18.9-158.8-141.9 109.9 16.9 9.8 31.5 1081 389 D E T 3 S+ 0 0 128 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.789 94.4 47.7 -60.4 -31.6 19.1 12.8 31.8 1082 390 D H T 3 S+ 0 0 51 4,-0.1 -862,-2.1 3,-0.1 2,-0.3 0.144 99.7 92.2 -96.4 18.8 20.1 12.7 28.1 1083 391 D R B < S-M 219 0F 25 -3,-1.8 -864,-0.2 -864,-0.2 -3,-0.1 -0.846 77.6-110.6-114.7 147.4 16.6 12.3 26.8 1084 392 D E S S+ 0 0 120 -866,-2.5 2,-0.1 -2,-0.3 -3,-0.0 -0.976 114.2 28.0-112.7 115.5 13.9 14.7 25.7 1085 393 D P S S- 0 0 5 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.603 83.2-160.5 -78.7 156.1 11.7 14.6 27.7 1086 394 D Q S S+ 0 0 100 -2,-0.1 -6,-2.2 -5,-0.1 2,-0.5 0.901 80.3 59.4 -65.1 -40.7 13.9 13.7 30.7 1087 395 D L B > S-U 1079 0V 61 -8,-0.2 3,-1.0 1,-0.1 -8,-0.2 -0.788 75.0-148.6 -95.7 128.3 10.9 12.5 32.6 1088 396 D L G > S+ 0 0 0 -10,-2.9 3,-2.0 -2,-0.5 4,-0.3 0.821 93.1 68.3 -62.4 -34.4 8.9 9.6 31.1 1089 397 D L G > S+ 0 0 25 -11,-0.4 3,-1.2 -44,-0.3 4,-0.3 0.767 88.5 68.0 -59.4 -26.7 5.6 10.9 32.6 1090 398 D D G X> S+ 0 0 70 -3,-1.0 4,-1.3 1,-0.2 3,-0.7 0.596 78.2 77.7 -69.4 -14.3 5.8 13.9 30.3 1091 399 D I H <> S+ 0 0 1 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.790 82.1 70.8 -66.0 -23.9 5.2 11.8 27.2 1092 400 D K H <> S+ 0 0 18 -3,-1.2 4,-1.9 -4,-0.3 -1,-0.2 0.871 100.0 44.3 -56.3 -41.5 1.5 11.8 28.2 1093 401 D E H <> S+ 0 0 70 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.2 0.865 109.9 54.7 -75.0 -36.6 1.2 15.5 27.3 1094 402 D E H <>S+ 0 0 26 -4,-1.3 5,-1.4 2,-0.2 6,-0.9 0.898 112.8 43.9 -59.4 -42.1 3.1 15.0 24.0 1095 403 D I H ><5S+ 0 0 24 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.868 113.5 51.1 -70.1 -38.3 0.6 12.3 23.1 1096 404 D E H 3<5S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.770 102.4 59.1 -71.2 -27.3 -2.4 14.4 24.3 1097 405 D D T 3<5S- 0 0 120 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.406 111.9-124.2 -78.6 2.2 -1.2 17.4 22.3 1098 406 D E T < 5S+ 0 0 183 -3,-1.1 -3,-0.2 2,-0.3 -2,-0.1 0.649 84.4 114.8 60.5 19.6 -1.6 15.1 19.2 1099 407 D E S > - 0 0 74 -2,-0.3 3,-0.7 -3,-0.1 4,-0.6 -0.862 34.2-110.9-121.4 164.8 0.8 8.7 19.5 1102 410 D I H >> S+ 0 0 9 -2,-0.3 3,-1.1 1,-0.2 4,-1.0 0.831 116.2 68.7 -62.9 -30.3 1.7 5.8 21.9 1103 411 D E H >4 S+ 0 0 76 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.871 94.8 55.3 -50.6 -42.7 2.5 3.8 18.7 1104 412 D D H <4 S+ 0 0 98 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.765 113.0 42.4 -60.8 -28.5 5.5 6.1 18.2 1105 413 D Y H << S+ 0 0 30 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.473 81.1 126.1-101.4 -6.9 6.7 5.2 21.7 1106 414 D I S << S- 0 0 22 -4,-1.0 -32,-0.3 -3,-0.6 2,-0.1 -0.298 73.7 -99.5 -58.1 134.8 6.0 1.4 21.8 1107 415 D D - 0 0 9 -34,-2.9 3,-0.3 1,-0.1 -32,-0.1 -0.361 27.3-152.6 -53.1 125.0 9.1 -0.6 22.7 1108 416 D K S S+ 0 0 130 -34,-0.3 -999,-2.4 1,-0.2 2,-0.5 0.587 81.5 84.3 -82.4 -9.7 10.6 -2.0 19.5 1109 417 D K S S+ 0 0 34 -1000,-0.2 2,-0.3 -1001,-0.2 -1,-0.2 -0.173 79.6 81.5 -86.7 39.3 12.1 -5.0 21.2 1110 418 D M - 0 0 13 -2,-0.5 -1001,-0.4 -3,-0.3 -1000,-0.3 -0.981 49.4-175.6-135.1 148.8 8.8 -6.8 20.9 1111 419 D N S S+ 0 0 83 -2,-0.3 -135,-0.1 -1002,-0.2 -1,-0.1 0.353 82.3 56.9-117.6 2.1 7.3 -8.8 18.0 1112 420 D D + 0 0 8 -783,-0.1 -784,-0.4 2,-0.0 2,-0.3 0.192 69.5 121.7-123.0 14.8 3.9 -9.6 19.5 1113 421 D A - 0 0 24 -785,-0.1 2,-0.4 -786,-0.1 3,-0.0 -0.611 41.8-161.3 -78.2 136.2 2.4 -6.2 20.5 1114 422 D D > - 0 0 29 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.962 23.7-124.4-116.5 145.9 -1.0 -5.3 19.0 1115 423 D S H > S+ 0 0 53 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.850 104.6 56.1 -52.3 -46.6 -2.4 -1.8 18.9 1116 424 D T H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 114.1 37.1 -57.1 -52.1 -5.7 -2.5 20.7 1117 425 D S H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.890 116.3 53.4 -72.1 -37.3 -4.1 -4.0 23.8 1118 426 D V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.899 112.2 45.2 -58.5 -42.6 -1.2 -1.5 23.8 1119 427 D E H X S+ 0 0 103 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.836 110.7 55.5 -71.1 -32.2 -3.7 1.4 23.6 1120 428 D A H X S+ 0 0 32 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.911 110.1 43.7 -64.6 -46.3 -5.8 -0.3 26.3 1121 429 D M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.917 113.1 52.9 -63.6 -42.3 -2.8 -0.4 28.7 1122 430 D Y H X S+ 0 0 24 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.887 105.5 54.0 -61.4 -39.0 -1.9 3.2 27.7 1123 431 D S H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.899 109.0 48.6 -61.1 -42.5 -5.5 4.3 28.6 1124 432 D V H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.944 112.6 48.9 -58.3 -48.7 -5.1 2.7 32.0 1125 433 D A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.891 109.3 52.1 -58.5 -44.4 -1.7 4.5 32.4 1126 434 D S H < S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.920 110.9 47.0 -60.2 -47.3 -3.2 7.8 31.3 1127 435 D Q H >< S+ 0 0 69 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.886 110.7 52.5 -60.4 -42.8 -6.0 7.6 33.9 1128 436 D C H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 105.4 58.7 -59.2 -31.9 -3.5 6.6 36.6 1129 437 D L T 3< + 0 0 2 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.123 69.0 137.2 -93.5 20.4 -1.5 9.7 35.7 1130 438 D H < - 0 0 62 -3,-1.3 6,-0.1 1,-0.2 -67,-0.0 -0.482 53.5-140.4 -62.4 134.0 -4.2 12.3 36.4 1131 439 D E S S+ 0 0 89 -2,-0.1 2,-0.7 1,-0.1 -81,-0.3 0.886 89.9 72.1 -67.4 -35.6 -2.5 15.1 38.2 1132 440 D K S >> S- 0 0 135 1,-0.1 3,-2.0 -83,-0.1 4,-0.6 -0.721 78.4-150.0 -82.4 114.4 -5.6 15.5 40.4 1133 441 D K G >4 S+ 0 0 26 -2,-0.7 3,-0.8 1,-0.3 -1,-0.1 0.786 92.4 60.0 -57.3 -32.5 -5.6 12.5 42.8 1134 442 D N G 34 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.637 101.1 54.8 -73.8 -14.5 -9.4 12.4 43.1 1135 443 D K G <4 S+ 0 0 141 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.597 88.3 98.5 -92.5 -14.5 -9.8 11.9 39.4 1136 444 D R S << S- 0 0 18 -3,-0.8 -8,-0.2 -4,-0.6 -9,-0.1 -0.437 80.8-110.2 -70.9 146.9 -7.5 8.8 39.3 1137 445 D P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.378 32.2-114.4 -69.3 154.6 -9.1 5.3 39.4 1138 446 D D >> - 0 0 107 1,-0.1 4,-1.9 -2,-0.0 3,-0.8 -0.460 36.9 -96.2 -81.3 166.6 -8.7 3.2 42.5 1139 447 D I H 3> S+ 0 0 8 1,-0.3 4,-2.8 2,-0.2 -147,-0.2 0.788 122.5 60.3 -59.4 -28.7 -6.6 0.0 42.3 1140 448 D K H 3> S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.896 106.4 45.7 -65.4 -41.1 -9.8 -2.1 41.8 1141 449 D K H <> S+ 0 0 95 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.897 113.0 50.4 -67.8 -41.5 -10.7 -0.2 38.6 1142 450 D V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.935 110.9 49.9 -58.5 -47.6 -7.1 -0.5 37.4 1143 451 D Q H X S+ 0 0 17 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.920 113.3 45.5 -56.9 -49.1 -7.2 -4.2 38.1 1144 452 D Q H X S+ 0 0 91 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.894 112.0 51.0 -62.5 -45.1 -10.5 -4.7 36.2 1145 453 D L H X S+ 0 0 32 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.886 109.9 49.1 -62.5 -40.1 -9.3 -2.6 33.2 1146 454 D L H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.827 110.8 52.1 -69.1 -30.9 -6.1 -4.6 32.9 1147 455 D Q H >< S+ 0 0 101 -4,-1.5 3,-0.6 -5,-0.2 -2,-0.2 0.909 107.6 50.8 -65.7 -45.4 -8.2 -7.8 33.0 1148 456 D E H 3< S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.792 99.8 65.0 -63.6 -31.2 -10.4 -6.5 30.3 1149 457 D M H 3< S+ 0 0 20 -4,-1.5 2,-1.7 1,-0.2 -1,-0.2 0.864 91.4 66.5 -57.2 -40.5 -7.3 -5.8 28.2 1150 458 D T << 0 0 78 -4,-0.9 -1,-0.2 -3,-0.6 -4,-0.0 -0.655 360.0 360.0 -79.8 80.3 -6.8 -9.5 28.2 1151 459 D A 0 0 128 -2,-1.7 -1,-0.2 0, 0.0 -2,-0.1 0.987 360.0 360.0 -78.3 360.0 -9.9 -10.1 26.1