==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-NOV-10 3PNT . COMPND 2 MOLECULE: NAD+-GLYCOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR C.L.SMITH,J.STINE ELAM,T.ELLENBERGER,J.GHOSH,J.S.PINKNER, . 821 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 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 . 50 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.8 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 0 1 2 5 3 7 7 5 0 0 3 1 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 6 5 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 2 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 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 1 196 A E > 0 0 99 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -79.3 89.9 20.8 86.1 2 197 A R H > + 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.852 360.0 60.0 -66.5 -40.7 90.8 21.2 82.5 3 198 A D H > S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 101.7 51.4 -48.1 -45.1 90.1 17.5 82.6 4 199 A L H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.863 108.9 51.3 -60.4 -37.9 86.6 18.4 83.8 5 200 A F H X S+ 0 0 1 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.883 107.7 50.9 -67.3 -41.2 86.3 20.8 80.8 6 201 A E H X S+ 0 0 70 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.837 108.9 53.4 -66.1 -31.6 87.3 18.1 78.3 7 202 A K H X S+ 0 0 146 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.831 107.5 50.0 -73.4 -33.7 84.7 15.8 79.9 8 203 A K H X S+ 0 0 36 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.903 105.3 56.5 -68.7 -43.4 81.9 18.4 79.4 9 204 A F H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.864 109.2 45.6 -59.3 -38.5 82.7 19.0 75.8 10 205 A K H < S+ 0 0 112 -4,-1.1 3,-0.3 2,-0.2 -1,-0.2 0.889 111.8 54.2 -70.7 -39.4 82.3 15.3 74.9 11 206 A E H < S+ 0 0 110 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.916 121.5 27.6 -57.0 -47.8 79.1 15.2 77.0 12 207 A I H < S+ 0 0 44 -4,-2.7 164,-0.4 164,-0.1 -1,-0.2 0.378 83.6 140.0-101.2 5.4 77.5 18.1 75.0 13 208 A K < - 0 0 62 -4,-0.9 2,-0.1 -3,-0.3 -3,-0.0 -0.284 49.4-129.4 -60.6 124.9 79.2 17.7 71.6 14 209 A D > - 0 0 25 1,-0.1 3,-1.6 -2,-0.1 -1,-0.1 -0.419 15.0-116.9 -77.4 148.2 76.7 18.4 68.8 15 210 A K T 3 S+ 0 0 85 272,-0.5 -1,-0.1 1,-0.3 273,-0.1 0.729 110.9 58.7 -52.7 -30.6 76.3 15.9 65.9 16 211 A W T 3 S+ 0 0 7 2,-0.1 2,-0.5 245,-0.1 -1,-0.3 0.633 79.3 100.1 -78.1 -18.9 77.4 18.5 63.3 17 212 A V S < S- 0 0 6 -3,-1.6 2,-0.0 4,-0.1 273,-0.0 -0.621 71.1-136.9 -77.9 119.8 80.9 19.2 64.9 18 213 A T > - 0 0 38 -2,-0.5 4,-3.0 1,-0.1 5,-0.2 -0.283 20.6-109.9 -75.6 158.5 83.5 17.2 63.0 19 214 A D H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.859 122.3 54.3 -50.9 -38.1 86.3 15.2 64.4 20 215 A K H > S+ 0 0 147 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.951 110.4 43.3 -64.4 -50.5 88.6 18.0 63.0 21 216 A Q H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.901 115.2 50.6 -59.4 -44.1 86.7 20.8 64.8 22 217 A A H X S+ 0 0 6 -4,-3.0 4,-2.0 2,-0.2 5,-0.3 0.911 110.4 49.1 -61.9 -44.5 86.5 18.7 68.0 23 218 A D H X S+ 0 0 102 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.967 114.5 44.4 -59.5 -52.1 90.3 18.0 67.9 24 219 A E H X S+ 0 0 36 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.867 110.0 57.4 -60.9 -36.9 91.1 21.7 67.4 25 220 A F H < S+ 0 0 3 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.956 114.8 34.0 -60.2 -57.4 88.6 22.7 70.1 26 221 A I H >< S+ 0 0 25 -4,-2.0 3,-0.9 2,-0.2 4,-0.3 0.894 118.0 56.3 -61.1 -45.4 90.2 20.7 72.9 27 222 A E H >< S+ 0 0 111 -4,-2.5 3,-0.5 -5,-0.3 -2,-0.2 0.958 116.0 32.5 -54.3 -58.0 93.7 21.2 71.5 28 223 A T T >X S+ 0 0 12 -4,-2.7 3,-1.8 1,-0.2 4,-1.2 0.304 86.1 114.6 -85.9 8.2 93.6 25.0 71.5 29 224 A A H <> S+ 0 0 3 -3,-0.9 4,-1.6 -4,-0.3 -1,-0.2 0.794 71.9 53.5 -49.7 -39.0 91.4 25.3 74.6 30 225 A D H <> S+ 0 0 53 -3,-0.5 4,-1.5 -4,-0.3 -1,-0.3 0.564 100.7 59.0 -82.6 -10.9 94.0 26.9 76.8 31 226 A K H <> S+ 0 0 111 -3,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.833 108.7 45.6 -79.6 -37.6 94.8 29.7 74.4 32 227 A Y H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.809 110.5 55.7 -70.3 -34.8 91.1 30.8 74.6 33 228 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.946 112.7 40.9 -54.0 -50.8 91.5 30.3 78.3 34 229 A D H X S+ 0 0 52 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.765 109.2 56.9 -78.5 -27.8 94.4 32.8 78.3 35 230 A K H X S+ 0 0 46 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.925 106.4 53.5 -63.9 -44.2 92.8 35.2 75.9 36 231 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 6,-0.9 0.878 110.3 46.6 -52.6 -44.2 90.0 35.4 78.4 37 232 A V H ><5S+ 0 0 33 -4,-1.4 3,-1.2 3,-0.2 -1,-0.2 0.898 109.8 52.4 -68.1 -41.4 92.5 36.2 81.1 38 233 A Q H 3<5S+ 0 0 145 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.868 107.3 51.4 -67.8 -36.6 94.3 38.9 79.1 39 234 A X T 3<5S- 0 0 64 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.562 113.6-124.4 -67.6 -8.7 91.0 40.7 78.3 40 235 A S T < 5S+ 0 0 76 -3,-1.2 -3,-0.2 2,-0.2 20,-0.1 0.894 76.6 127.2 53.1 45.2 90.4 40.6 82.1 41 236 A A S - 0 0 41 1,-0.1 4,-1.3 -8,-0.0 -1,-0.2 -0.867 68.4-116.2-134.4 162.2 92.5 32.6 85.9 45 240 A R H > S+ 0 0 107 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.809 117.8 59.3 -64.6 -31.3 92.6 30.0 83.2 46 241 A A H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 100.7 54.0 -63.1 -40.9 90.9 27.7 85.8 47 242 A E H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 106.1 52.7 -62.5 -43.2 88.0 30.1 86.2 48 243 A Y H X S+ 0 0 2 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.930 111.0 46.9 -54.0 -50.2 87.4 30.0 82.4 49 244 A Y H X S+ 0 0 10 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.852 110.6 51.2 -65.9 -39.3 87.3 26.2 82.5 50 245 A R H X S+ 0 0 121 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.892 109.6 51.9 -61.3 -39.8 85.0 26.0 85.5 51 246 A X H X S+ 0 0 17 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.891 107.7 49.8 -70.1 -43.9 82.6 28.4 83.7 52 247 A Y H < S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.954 114.6 46.2 -56.1 -48.0 82.5 26.3 80.6 53 248 A V H < S+ 0 0 42 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 116.4 44.2 -64.6 -38.4 81.7 23.3 82.8 54 249 A S H < S- 0 0 74 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.677 93.9-143.9 -80.8 -21.2 79.1 25.1 84.8 55 250 A R < + 0 0 47 -4,-2.0 114,-2.4 -3,-0.3 2,-0.8 0.274 65.5 114.1 72.6 -8.6 77.4 26.8 81.8 56 251 A K - 0 0 141 -5,-0.2 2,-1.0 112,-0.2 -1,-0.2 -0.827 51.9-163.0 -93.1 108.2 76.7 30.0 83.8 57 252 A Y + 0 0 11 -2,-0.8 2,-0.4 -3,-0.1 109,-0.1 -0.782 14.0 174.6 -97.2 101.1 78.8 32.8 82.3 58 253 A Q - 0 0 138 -2,-1.0 2,-0.3 110,-0.0 -7,-0.0 -0.873 6.8-170.4-104.0 139.8 79.1 35.7 84.7 59 254 A Y - 0 0 25 -2,-0.4 2,-0.3 -17,-0.0 -17,-0.1 -0.899 30.3-101.5-125.5 157.2 81.3 38.8 84.0 60 255 A K >> - 0 0 147 -2,-0.3 4,-1.6 -19,-0.2 3,-1.4 -0.622 28.6-132.1 -75.1 131.2 82.5 41.8 86.0 61 256 A K H 3> S+ 0 0 144 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.827 105.7 63.2 -53.8 -37.2 80.5 44.9 85.1 62 257 A E H 3> S+ 0 0 146 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.857 106.6 44.4 -54.0 -39.4 83.8 46.8 84.7 63 258 A F H <> S+ 0 0 17 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.932 110.7 50.8 -74.2 -50.4 84.8 44.5 81.8 64 259 A V H X S+ 0 0 25 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.885 110.0 53.0 -54.4 -40.4 81.4 44.5 80.0 65 260 A E H < S+ 0 0 72 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.878 108.3 48.2 -67.5 -38.7 81.4 48.3 80.1 66 261 A K H >X S+ 0 0 150 -4,-1.2 3,-0.7 -5,-0.2 4,-0.6 0.812 109.7 54.5 -71.2 -30.3 84.8 48.6 78.5 67 262 A L H >X S+ 0 0 25 -4,-2.0 3,-1.0 1,-0.2 4,-1.0 0.965 98.9 60.3 -65.8 -50.9 83.9 46.2 75.8 68 263 A K H 3X S+ 0 0 19 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.565 89.1 76.1 -57.5 -9.9 80.8 48.1 74.8 69 264 A Q H <> S+ 0 0 93 -3,-0.7 4,-2.6 -4,-0.3 -1,-0.2 0.969 96.5 43.5 -64.6 -54.8 83.0 51.2 73.9 70 265 A V H - 0 0 3 -2,-0.3 4,-2.7 64,-0.2 5,-0.2 -0.541 29.8-119.0 -84.7 156.2 74.4 33.9 54.3 82 277 A K H > S+ 0 0 60 62,-0.4 4,-2.7 58,-0.2 5,-0.2 0.947 117.5 55.1 -53.5 -49.2 71.7 34.9 51.8 83 278 A K H > S+ 0 0 21 57,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 110.7 41.7 -54.9 -46.2 70.1 31.6 52.7 84 279 A D H > S+ 0 0 17 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.894 111.0 56.4 -74.0 -37.5 69.9 32.4 56.4 85 280 A L H >X S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 4,-0.8 0.942 108.5 48.8 -50.7 -50.6 68.9 36.0 55.8 86 281 A X H >X S+ 0 0 27 -4,-2.7 4,-2.4 1,-0.3 3,-0.8 0.876 104.3 59.2 -58.7 -43.1 65.9 34.6 53.8 87 282 A L H 3X S+ 0 0 8 -4,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.795 97.1 61.8 -57.2 -31.4 65.0 32.2 56.6 88 283 A A H << S+ 0 0 5 -4,-1.3 9,-0.9 -3,-0.9 -1,-0.2 0.872 114.7 31.5 -66.8 -35.9 64.6 35.1 59.0 89 284 A F H << S+ 0 0 13 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.806 128.9 36.0 -88.6 -36.9 61.7 36.6 56.9 90 285 A D H < S+ 0 0 51 -4,-2.4 2,-0.9 118,-0.1 -3,-0.2 0.669 89.0 93.0 -97.3 -25.3 60.1 33.5 55.5 91 286 A D >< - 0 0 4 -4,-2.0 3,-1.8 -5,-0.3 5,-0.4 -0.641 62.9-159.1 -74.6 104.7 60.5 30.9 58.3 92 287 A A G > S+ 0 0 15 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.730 82.8 66.8 -62.9 -27.3 57.2 31.4 60.1 93 288 A K G 3 S+ 0 0 20 1,-0.2 -1,-0.3 2,-0.1 311,-0.1 0.686 95.5 60.6 -67.2 -14.9 58.2 29.9 63.4 94 289 A R G < S- 0 0 30 -3,-1.8 -1,-0.2 -7,-0.2 7,-0.2 0.589 101.3-133.5 -90.9 -14.6 60.6 32.9 63.8 95 290 A K < - 0 0 88 -3,-1.1 109,-0.2 -4,-0.3 -3,-0.1 0.920 61.7 -61.0 65.7 47.5 57.8 35.5 63.7 96 291 A S S S+ 0 0 33 -5,-0.4 108,-1.8 -8,-0.2 2,-0.3 0.927 97.8 136.0 42.6 69.3 59.5 37.8 61.2 97 292 A T E -E 203 0B 6 -9,-0.9 2,-0.9 106,-0.2 106,-0.2 -0.987 56.8-137.7-143.4 135.0 62.5 38.7 63.3 98 293 A I E S+E 202 0B 1 104,-2.2 104,-1.4 -2,-0.3 2,-0.2 -0.871 91.3 22.3 -84.3 107.5 66.2 38.9 62.5 99 294 A G S S- 0 0 16 -2,-0.9 2,-0.8 102,-0.2 6,-0.3 -0.693 117.4 -57.1 118.0-177.1 67.5 37.1 65.7 100 295 A R S > S- 0 0 33 4,-3.6 3,-2.3 1,-0.3 2,-0.1 -0.413 73.7-108.3-101.4 59.1 65.7 34.7 68.1 101 296 A Q G > S- 0 0 13 -2,-0.8 3,-1.2 1,-0.3 100,-0.7 -0.345 98.2 -0.2 53.6-121.8 62.8 36.9 69.0 102 297 A E G 3 S+ 0 0 19 1,-0.2 -1,-0.3 294,-0.1 132,-0.2 0.555 127.2 69.7 -73.4 -7.7 63.3 38.1 72.6 103 298 A N G < S- 0 0 28 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.587 97.4-142.0 -90.4 -12.1 66.5 36.1 72.9 104 299 A G < - 0 0 2 -3,-1.2 -4,-3.6 127,-0.1 2,-0.4 -0.382 12.9 -70.1 99.1-166.0 68.4 38.5 70.5 105 300 A L E -H 199 0C 13 94,-2.7 94,-2.0 -6,-0.3 2,-0.1 -0.999 39.7-119.4-134.6 131.8 71.0 38.2 67.8 106 301 A F E +H 198 0C 40 -2,-0.4 2,-0.3 92,-0.2 92,-0.2 -0.480 44.9 165.3 -67.9 139.9 74.7 37.4 68.2 107 302 A V E -H 197 0C 9 90,-1.9 90,-1.5 -2,-0.1 2,-0.2 -0.920 26.9-152.4-146.4 168.6 77.0 40.2 67.0 108 303 A T E -A 77 0A 2 -31,-2.3 -31,-2.0 -2,-0.3 2,-0.2 -0.700 46.3 -70.7-126.1-173.6 80.5 41.5 67.1 109 304 A S E > -A 76 0A 0 -33,-0.2 4,-1.7 -2,-0.2 -33,-0.3 -0.585 34.7-132.3 -78.0 147.3 81.9 45.1 66.8 110 305 A F H > S+ 0 0 20 -35,-3.0 4,-2.6 -2,-0.2 5,-0.2 0.877 107.5 58.1 -64.5 -39.9 81.7 46.7 63.4 111 306 A A H > S+ 0 0 43 -36,-0.4 4,-2.4 -41,-0.3 -1,-0.2 0.839 105.7 52.0 -58.4 -34.8 85.4 47.8 63.6 112 307 A E H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.916 109.5 45.5 -71.7 -46.5 86.3 44.1 64.0 113 308 A D H X S+ 0 0 0 -4,-1.7 4,-3.5 2,-0.2 5,-0.4 0.946 114.7 50.8 -61.1 -44.5 84.5 42.8 61.0 114 309 A X H X S+ 0 0 64 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.947 116.8 38.4 -56.4 -53.1 85.9 45.7 58.9 115 310 A A H < S+ 0 0 72 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.886 124.6 39.9 -64.7 -40.5 89.5 45.1 60.0 116 311 A L H < S+ 0 0 35 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.893 118.7 43.5 -82.3 -41.8 89.2 41.3 59.9 117 312 A L H < S+ 0 0 0 -4,-3.5 8,-1.5 -5,-0.3 2,-0.3 0.660 108.4 69.7 -76.7 -18.7 87.1 40.8 56.8 118 313 A F B < S-J 124 0D 25 -4,-1.3 6,-0.2 -5,-0.4 2,-0.2 -0.767 78.1-119.2-110.7 149.9 89.0 43.4 54.7 119 314 A T > - 0 0 40 4,-3.2 3,-2.1 -2,-0.3 -2,-0.1 -0.480 31.9-119.4 -68.3 149.1 92.4 43.7 53.1 120 315 A D T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.861 118.7 60.8 -64.6 -34.7 94.5 46.7 54.4 121 316 A Q T 3 S- 0 0 159 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.507 127.7-105.4 -63.3 -7.9 94.4 48.0 50.8 122 317 A G S < S+ 0 0 38 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.393 75.5 135.1 100.4 -0.5 90.6 48.0 51.3 123 318 A K - 0 0 124 127,-0.2 -4,-3.2 1,-0.1 -1,-0.3 -0.619 57.8-115.8 -84.7 136.9 89.5 45.0 49.2 124 319 A L B -J 118 0D 31 -2,-0.3 -6,-0.2 -6,-0.2 126,-0.1 -0.399 38.7-114.3 -64.2 148.3 87.0 42.4 50.6 125 320 A K - 0 0 60 -8,-1.5 -1,-0.1 1,-0.2 -8,-0.0 -0.236 37.6 -75.6 -81.6 169.7 88.5 39.0 51.0 126 321 A S > - 0 0 63 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.330 32.4-127.2 -58.2 144.3 87.7 35.7 49.2 127 322 A A H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 116.9 55.5 -56.9 -42.5 84.4 33.9 50.2 128 323 A D H > S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.855 110.1 44.3 -54.2 -40.8 86.8 31.0 50.7 129 324 A Q H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.1 -2,-0.2 0.907 113.7 47.7 -73.7 -45.0 88.9 33.0 53.1 130 325 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.907 107.2 56.4 -67.1 -44.0 86.1 34.6 55.1 131 326 A E H <>S+ 0 0 9 -4,-2.7 5,-2.3 -5,-0.2 4,-0.3 0.922 111.1 46.5 -47.7 -47.4 84.4 31.2 55.4 132 327 A N H ><5S+ 0 0 121 -4,-1.2 3,-1.5 -5,-0.2 -2,-0.2 0.945 111.0 50.7 -59.8 -53.0 87.7 30.1 57.0 133 328 A I H 3<5S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.862 113.9 44.6 -53.7 -40.1 87.9 33.2 59.2 134 329 A K T 3<5S- 0 0 35 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.417 108.1-123.2 -89.0 1.3 84.3 32.6 60.5 135 330 A G T < 5 + 0 0 20 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.877 65.3 137.0 55.5 40.0 84.8 28.9 61.1 136 331 A V < - 0 0 39 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.630 60.9 -74.3-106.8 172.1 81.8 28.1 58.8 137 332 A D > - 0 0 53 -2,-0.2 3,-1.5 1,-0.1 4,-0.2 -0.317 55.1 -95.4 -64.9 145.0 81.4 25.4 56.1 138 333 A S T 3 S+ 0 0 58 1,-0.2 119,-0.2 2,-0.1 -1,-0.1 -0.407 110.0 20.6 -57.6 131.5 83.2 25.8 52.8 139 334 A G T > S+ 0 0 25 -2,-0.1 3,-1.0 -12,-0.1 4,-0.3 0.473 81.3 119.4 88.5 6.1 80.7 27.4 50.3 140 335 A K T < S+ 0 0 41 -3,-1.5 -57,-0.2 1,-0.3 -58,-0.2 0.704 86.6 36.5 -81.7 -15.5 78.3 29.0 52.7 141 336 A Y T > S+ 0 0 9 -4,-0.2 3,-1.4 -60,-0.1 -1,-0.3 0.067 81.7 116.9-112.6 20.8 79.0 32.5 51.3 142 337 A S T < S+ 0 0 89 -3,-1.0 2,-0.5 1,-0.3 -2,-0.1 0.915 81.2 43.6 -54.6 -45.9 79.4 31.3 47.6 143 338 A D T 3 S- 0 0 38 -4,-0.3 -1,-0.3 1,-0.3 -61,-0.1 -0.323 136.0 -47.2 -95.9 50.1 76.5 33.4 46.6 144 339 A G < - 0 0 10 -3,-1.4 2,-0.6 -2,-0.5 -62,-0.4 0.102 46.0-114.2 105.9 145.8 77.5 36.5 48.6 145 340 A V - 0 0 10 103,-0.3 103,-1.9 -3,-0.1 -64,-0.2 -0.916 42.3-169.7-113.1 102.3 78.7 37.4 52.1 146 341 A Y E -BC 80 247A 4 -66,-1.7 -66,-2.6 -2,-0.6 2,-0.4 -0.439 4.7-155.0 -93.9 165.1 75.9 39.5 53.7 147 342 A Q E -BC 79 246A 0 99,-2.9 99,-1.9 -68,-0.3 2,-0.5 -0.998 15.5-146.5-147.1 132.6 75.9 41.6 56.8 148 343 A Y E -BC 78 245A 8 -70,-2.1 -70,-1.9 -2,-0.4 2,-0.4 -0.877 28.9-169.1 -90.5 133.6 73.5 42.9 59.4 149 344 A E E -BC 77 244A 19 95,-2.6 95,-1.6 -2,-0.5 2,-0.6 -0.991 20.4-165.3-130.9 126.1 74.7 46.3 60.8 150 345 A Y E -BC 76 243A 0 -74,-1.8 -74,-2.3 -2,-0.4 93,-0.2 -0.956 32.1-131.9 -97.6 122.9 73.5 48.3 63.7 151 346 A D > - 0 0 32 91,-2.9 4,-2.6 -2,-0.6 5,-0.3 -0.251 25.8 -94.7 -75.5 168.9 75.0 51.8 63.3 152 347 A S H > S+ 0 0 45 1,-0.2 4,-2.2 -78,-0.2 -77,-0.2 0.827 122.7 43.6 -51.8 -44.3 76.8 53.7 66.1 153 348 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.929 111.2 52.6 -72.5 -43.2 73.8 55.7 67.2 154 349 A L H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.925 114.3 44.8 -54.4 -47.3 71.3 52.8 67.1 155 350 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.4 0.914 110.4 55.9 -57.7 -46.0 73.8 50.9 69.3 156 351 A K H X S+ 0 0 94 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.856 111.5 41.4 -59.7 -39.7 74.2 54.0 71.5 157 352 A N H X S+ 0 0 42 -4,-2.5 4,-1.0 83,-0.3 -1,-0.3 0.603 110.2 58.6 -87.2 -14.9 70.5 54.2 72.3 158 353 A I H >X>S+ 0 0 0 -4,-1.1 5,-1.3 -3,-0.4 4,-1.0 0.938 105.7 48.8 -70.7 -51.7 70.2 50.5 72.7 159 354 A D H ><5S+ 0 0 24 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.864 105.3 60.6 -53.7 -37.3 72.8 50.6 75.4 160 355 A K H 3<5S+ 0 0 165 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 103.3 48.7 -61.9 -37.6 70.8 53.4 77.0 161 356 A L H <<5S- 0 0 81 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.685 116.5-117.4 -71.7 -18.0 67.7 51.2 77.4 162 357 A G T <<5S+ 0 0 55 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.856 70.9 136.3 83.2 40.5 70.0 48.5 79.0 163 358 A Y < + 0 0 48 -5,-1.3 2,-0.4 2,-0.1 -4,-0.2 0.327 28.3 107.3-108.5 5.9 69.3 46.0 76.2 164 359 A I - 0 0 29 -6,-0.2 2,-0.3 -5,-0.2 35,-0.2 -0.743 49.2-174.1 -86.8 131.9 72.8 44.6 75.6 165 360 A R B -I 198 0C 60 33,-2.0 33,-2.6 -2,-0.4 2,-0.3 -0.828 21.4-126.7-120.4 156.6 73.2 41.1 77.0 166 361 A T - 0 0 44 -2,-0.3 2,-0.2 31,-0.2 31,-0.1 -0.765 32.7-109.9 -95.9 153.8 76.1 38.6 77.3 167 362 A A + 0 0 3 29,-0.4 2,-0.3 -2,-0.3 15,-0.2 -0.568 40.6 178.0 -77.3 144.7 75.9 35.1 76.0 168 363 A S > - 0 0 23 -2,-0.2 3,-1.7 -112,-0.1 -112,-0.2 -0.866 43.9 -87.7-140.3 179.3 75.6 32.2 78.5 169 364 A G T 3 S+ 0 0 20 -114,-2.4 -113,-0.1 1,-0.3 9,-0.1 0.667 122.8 44.5 -68.6 -21.4 75.3 28.5 78.5 170 365 A D T 3 S+ 0 0 106 -115,-0.3 -1,-0.3 2,-0.1 -114,-0.1 0.254 82.5 127.7-102.1 8.6 71.5 28.3 78.4 171 366 A T S X S- 0 0 17 -3,-1.7 3,-2.3 1,-0.1 222,-0.1 -0.541 70.7-109.7 -70.0 123.0 71.2 31.0 75.7 172 367 A P T 3 S+ 0 0 4 0, 0.0 -72,-0.1 0, 0.0 3,-0.1 -0.300 107.8 30.4 -50.0 132.2 69.1 29.9 72.8 173 368 A G T 3 S+ 0 0 13 1,-0.4 2,-0.2 121,-0.1 122,-0.1 0.365 92.8 122.6 89.8 -5.2 71.4 29.4 69.8 174 369 A A < + 0 0 17 -3,-2.3 -1,-0.4 -6,-0.1 2,-0.2 -0.604 35.5 167.4 -81.1 150.9 74.3 28.4 72.0 175 370 A N > - 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0 0 4 -19,-2.0 -10,-0.2 -2,-0.3 3,-0.1 -0.197 31.7-140.8 -64.1 152.5 66.4 17.9 65.3 300 49 B D >> - 0 0 19 -12,-3.4 4,-1.3 1,-0.1 3,-1.2 -0.897 8.9-163.4-114.4 95.8 66.4 20.4 62.4 301 50 B P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.855 87.3 63.6 -44.6 -46.3 64.6 18.7 59.4 302 51 B E H 3> S+ 0 0 11 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.900 104.9 46.3 -46.2 -47.1 66.0 21.2 57.0 303 52 B V H <>>S+ 0 0 0 -3,-1.2 4,-1.6 1,-0.2 5,-0.6 0.817 110.1 54.5 -67.0 -32.1 69.5 19.9 57.8 304 53 B I H X>S+ 0 0 0 -4,-1.3 5,-3.6 -3,-0.4 4,-0.6 0.883 116.3 36.7 -70.1 -37.3 68.3 16.3 57.5 305 54 B L H <>S+ 0 0 5 -4,-2.5 5,-2.4 3,-0.3 -2,-0.2 0.960 119.4 46.3 -77.5 -52.6 66.9 17.0 54.0 306 55 B E H <5S+ 0 0 6 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.901 133.5 13.9 -59.7 -48.1 69.6 19.3 52.7 307 56 B Y H <5S+ 0 0 21 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.2 0.568 135.7 33.6-107.6 -16.3 72.6 17.4 53.8 308 57 B G T X S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.951 113.8 47.1 -62.5 -44.6 72.5 13.6 48.6 312 61 B A H <>S+ 0 0 0 -4,-1.2 5,-2.2 1,-0.2 -2,-0.2 0.855 110.5 54.8 -57.8 -36.4 71.9 9.9 49.3 313 62 B F H ><5S+ 0 0 20 -4,-1.5 3,-1.4 3,-0.2 -1,-0.2 0.899 107.9 46.7 -68.0 -40.9 68.8 10.2 47.1 314 63 B I H 3<5S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.925 108.3 58.6 -60.3 -43.2 70.8 11.5 44.2 315 64 B K T 3<5S- 0 0 115 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.151 131.9 -90.5 -76.6 15.0 73.3 8.8 44.9 316 65 B G T < 5S+ 0 0 49 -3,-1.4 2,-2.6 1,-0.1 -3,-0.2 0.094 88.3 123.7 108.1 -22.2 70.6 6.1 44.3 317 66 B Y > < + 0 0 89 -5,-2.2 3,-1.4 1,-0.2 4,-0.2 -0.285 25.5 157.0 -77.1 65.1 68.9 5.4 47.7 318 67 B T T >> + 0 0 23 -2,-2.6 3,-1.3 1,-0.3 4,-0.5 0.633 53.5 81.4 -72.6 -13.5 65.4 6.3 46.5 319 68 B Q H 3> S+ 0 0 100 1,-0.2 4,-1.7 -3,-0.2 -1,-0.3 0.832 75.2 77.7 -56.8 -33.7 63.6 4.2 49.2 320 69 B L H <> S+ 0 0 3 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.774 86.9 60.3 -45.8 -36.9 64.1 7.2 51.6 321 70 B K H <> S+ 0 0 10 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.994 107.3 39.2 -57.2 -69.6 61.2 9.1 50.0 322 71 B A H X S+ 0 0 42 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.768 117.1 55.2 -53.8 -28.1 58.4 6.6 50.7 323 72 B N H X S+ 0 0 9 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.952 106.5 45.7 -72.9 -52.1 59.9 6.0 54.1 324 73 B I H X S+ 0 0 4 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.895 110.7 57.7 -54.8 -41.4 60.0 9.6 55.3 325 74 B E H X S+ 0 0 30 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.935 111.0 40.3 -52.6 -50.4 56.4 9.8 53.9 326 75 B E H X S+ 0 0 101 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.885 114.6 54.4 -66.4 -39.4 55.4 6.9 56.3 327 76 B A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.941 111.7 43.1 -58.4 -50.4 57.5 8.4 59.0 328 77 B L H X S+ 0 0 1 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.861 111.2 57.5 -62.9 -37.5 55.7 11.7 58.7 329 78 B L H X S+ 0 0 62 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.958 111.0 40.4 -57.0 -54.6 52.3 9.9 58.4 330 79 B E H >< S+ 0 0 85 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.929 117.6 46.1 -62.5 -49.8 52.7 8.1 61.8 331 80 B X H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.3 5,-0.4 0.820 109.7 57.2 -68.8 -26.2 54.2 11.0 63.7 332 81 B S H 3< S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 -1,-0.3 0.826 113.6 38.4 -65.5 -35.2 51.5 13.2 62.1 333 82 B N T << S+ 0 0 105 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.119 88.7 103.1-102.0 18.2 48.7 11.0 63.6 334 83 B S S < S- 0 0 36 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.1 0.634 81.4-129.7 -79.4 -16.8 50.5 10.3 66.9 335 84 B G + 0 0 38 -3,-0.3 2,-0.4 1,-0.2 -3,-0.1 0.670 69.3 125.3 67.6 20.0 48.5 12.7 69.2 336 85 B Q > - 0 0 106 -5,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.918 59.1-143.2-119.2 138.2 51.9 14.1 70.4 337 86 B A H > S+ 0 0 11 -2,-0.4 4,-3.5 2,-0.2 5,-0.2 0.943 100.0 39.5 -67.7 -53.2 52.9 17.7 70.3 338 87 B L H > S+ 0 0 14 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.934 115.6 53.8 -63.3 -46.0 56.6 17.5 69.4 339 88 B D H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.955 116.0 38.1 -50.4 -55.7 55.9 14.7 67.0 340 89 B I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.932 115.7 54.3 -64.7 -45.6 53.3 16.8 65.1 341 90 B Y H X S+ 0 0 2 -4,-3.5 4,-1.6 -5,-0.2 -1,-0.2 0.903 111.6 43.6 -52.2 -47.3 55.3 20.0 65.5 342 91 B Q H X S+ 0 0 3 -4,-3.2 4,-1.1 2,-0.2 -1,-0.2 0.801 110.3 55.2 -78.7 -26.6 58.4 18.4 64.0 343 92 B A H >X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 3,-1.0 0.964 110.0 47.0 -61.7 -52.6 56.3 16.8 61.2 344 93 B V H 3X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.3 -2,-0.2 0.829 109.6 55.4 -54.6 -36.5 54.9 20.2 60.3 345 94 B Q H 3X S+ 0 0 5 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.3 0.752 103.1 55.7 -70.3 -24.5 58.5 21.5 60.5 346 95 B T H + 0 0 46 -2,-0.7 4,-2.3 2,-0.1 5,-0.3 0.180 36.8 112.2-111.6 16.2 51.6 15.2 51.5 367 116 B Q H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.956 90.6 42.4 -61.4 -43.8 47.9 15.0 51.1 368 117 B S H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.951 114.0 48.4 -65.9 -42.9 47.7 12.5 53.8 369 118 B I H > S+ 0 0 6 1,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.878 113.4 49.2 -62.4 -36.3 50.2 14.1 56.2 370 119 B L H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.829 108.9 51.8 -76.2 -34.2 48.5 17.4 55.8 371 120 B A H X S+ 0 0 57 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.929 111.8 47.9 -61.8 -47.3 45.0 15.9 56.4 372 121 B N H X S+ 0 0 35 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.931 110.5 50.3 -61.7 -46.4 46.4 14.3 59.6 373 122 B I H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.939 111.2 50.8 -54.9 -46.1 48.0 17.6 60.7 374 123 B T H < S+ 0 0 75 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.881 111.9 45.0 -63.2 -41.1 44.6 19.3 60.1 375 124 B K H >< S+ 0 0 136 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.931 111.6 54.2 -67.3 -44.1 42.6 16.7 62.1 376 125 B A H >< S+ 0 0 11 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.889 103.0 56.5 -54.9 -42.4 45.2 16.9 64.9 377 126 B L T 3< S+ 0 0 17 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.581 96.6 63.0 -75.5 -8.7 45.0 20.7 65.2 378 127 B K T < S+ 0 0 162 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.3 -0.036 81.7 102.6-101.4 31.6 41.2 20.6 65.8 379 128 B D <> - 0 0 59 -3,-1.2 4,-2.8 1,-0.1 5,-0.2 -0.964 62.0-154.5-112.4 118.4 41.8 18.6 69.1 380 129 B A H > S+ 0 0 72 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.874 96.2 50.4 -58.3 -42.3 41.5 20.7 72.3 381 130 B H H > S+ 0 0 149 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.948 113.4 45.7 -59.8 -51.4 43.8 18.3 74.2 382 131 B I H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.891 113.9 48.7 -61.6 -40.4 46.4 18.5 71.5 383 132 B R H X S+ 0 0 78 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.856 111.9 48.8 -68.0 -37.3 46.1 22.3 71.2 384 133 B E H X S+ 0 0 129 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.911 108.2 54.7 -66.6 -43.8 46.4 22.7 75.0 385 134 B A H < S+ 0 0 49 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 115.7 39.6 -50.0 -45.4 49.5 20.4 74.9 386 135 B X H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 16,-0.8 0.870 109.2 58.6 -77.5 -40.9 51.0 22.7 72.3 387 136 B A H 3< S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 120.3 30.3 -54.8 -30.4 49.8 25.9 73.9 388 137 B H T 3< S+ 0 0 135 -4,-1.7 2,-0.8 -5,-0.1 -1,-0.2 0.217 80.0 129.2-120.3 13.5 51.7 24.9 77.1 389 138 B Y < + 0 0 47 -3,-0.9 12,-0.4 -4,-0.2 13,-0.1 -0.631 19.3 154.5 -75.2 109.5 54.7 22.9 75.8 390 139 B K + 0 0 83 -2,-0.8 5,-0.2 10,-0.1 2,-0.2 0.076 14.9 139.8-127.9 22.7 57.7 24.5 77.5 391 140 B L S > S- 0 0 116 3,-0.1 3,-1.3 4,-0.1 4,-0.1 -0.446 70.0 -28.0 -66.9 135.8 60.3 21.7 77.6 392 141 B G G > S+ 0 0 47 1,-0.2 3,-2.7 2,-0.2 4,-0.2 -0.235 133.1 1.6 61.9-142.1 63.9 22.8 76.9 393 142 B E G > S+ 0 0 25 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.693 119.1 75.1 -55.7 -25.6 64.5 25.8 74.6 394 143 B F G X S+ 0 0 5 -3,-1.3 3,-1.4 1,-0.3 -1,-0.3 0.723 81.7 72.6 -55.6 -23.7 60.7 26.4 74.3 395 144 B A G < S+ 0 0 61 -3,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.705 90.3 59.9 -61.3 -21.2 61.0 27.7 77.8 396 145 B H G < S+ 0 0 61 -3,-2.1 2,-0.5 -4,-0.2 -1,-0.2 0.300 92.2 76.4 -97.2 8.7 62.7 30.8 76.4 397 146 B Y < - 0 0 2 -3,-1.4 -296,-0.1 1,-0.1 -1,-0.0 -0.975 53.4-165.1-124.1 124.7 59.9 32.0 74.1 398 147 B Q S S+ 0 0 117 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.851 80.7 88.8 -64.8 -35.0 56.8 33.8 75.1 399 148 B D S S- 0 0 13 -3,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.466 83.4-134.2 -62.7 130.1 55.7 32.8 71.6 400 149 B T > - 0 0 29 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.523 14.8-115.7-100.4 159.2 54.1 29.3 71.9 401 150 B X H > S+ 0 0 1 -15,-0.7 4,-2.7 -12,-0.4 5,-0.2 0.883 118.1 51.4 -54.5 -44.4 54.4 26.1 70.0 402 151 B L H > S+ 0 0 16 -16,-0.8 4,-3.0 1,-0.2 5,-0.3 0.954 109.1 50.0 -59.2 -51.7 50.8 26.4 68.9 403 152 B D H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.896 113.5 47.8 -48.7 -46.4 51.3 29.9 67.7 404 153 B X H X S+ 0 0 1 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.902 113.2 45.3 -65.9 -45.7 54.4 28.7 65.8 405 154 B V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.883 112.3 51.7 -67.0 -42.6 52.7 25.7 64.1 406 155 B E H X S+ 0 0 69 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.899 107.5 52.9 -60.7 -42.1 49.6 27.7 63.2 407 156 B R H < S+ 0 0 54 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.845 111.3 47.3 -63.1 -32.6 51.8 30.3 61.5 408 157 B T H >< S+ 0 0 0 -4,-1.3 3,-1.5 1,-0.2 4,-0.5 0.882 103.9 58.7 -78.1 -41.3 53.5 27.6 59.5 409 158 B I H >< S+ 0 0 50 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.872 97.2 63.1 -53.2 -39.9 50.2 25.9 58.4 410 159 B E T 3< S+ 0 0 155 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.752 96.7 59.1 -58.3 -25.2 49.1 29.2 56.8 411 160 B T T < 0 0 68 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.645 360.0 360.0 -77.4 -16.3 52.1 28.9 54.5 412 161 B F < 0 0 82 -3,-2.0 -3,-0.0 -4,-0.5 -64,-0.0 0.143 360.0 360.0 -79.8 360.0 50.8 25.5 53.2 413 !* 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 0.0 414 196 C E > 0 0 126 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 152.0 26.0 10.8 20.6 415 197 C R H > + 0 0 65 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.651 360.0 73.6 -76.0 -17.0 28.6 11.2 17.9 416 198 C D H 4 S+ 0 0 97 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.924 103.3 40.1 -56.2 -44.0 27.1 14.7 17.3 417 199 C L H > S+ 0 0 92 -3,-0.3 4,-2.3 2,-0.2 3,-0.5 0.864 111.6 57.3 -73.0 -39.7 28.8 15.6 20.6 418 200 C F H X S+ 0 0 1 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.941 110.6 43.0 -53.5 -49.1 31.9 13.6 19.7 419 201 C E H X S+ 0 0 42 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.528 108.5 59.3 -82.3 -5.9 32.4 15.6 16.5 420 202 C K H > S+ 0 0 145 -3,-0.5 4,-1.7 -4,-0.4 -1,-0.2 0.841 108.7 45.6 -77.0 -41.7 31.6 18.9 18.3 421 203 C K H X S+ 0 0 42 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.949 108.9 55.3 -64.1 -50.3 34.5 18.2 20.6 422 204 C F H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.925 111.0 43.0 -51.6 -53.1 36.8 17.3 17.8 423 205 C K H < S+ 0 0 152 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 112.8 57.4 -57.5 -38.8 36.3 20.6 16.0 424 206 C E H < S+ 0 0 116 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.895 121.9 22.2 -57.0 -45.4 36.6 22.2 19.4 425 207 C I H < S+ 0 0 39 -4,-2.4 164,-0.3 -3,-0.2 -2,-0.2 0.447 82.0 144.3-111.4 -3.0 40.1 20.8 20.0 426 208 C K < - 0 0 71 -4,-2.3 2,-0.1 -5,-0.3 -3,-0.0 -0.052 51.9-122.1 -35.7 125.9 41.5 20.0 16.6 427 209 C D > - 0 0 15 1,-0.1 3,-1.1 273,-0.0 -1,-0.1 -0.459 19.1-119.0 -68.6 152.2 45.2 20.7 16.5 428 210 C K T 3 S+ 0 0 71 271,-0.6 -1,-0.1 1,-0.2 272,-0.1 0.664 108.7 65.6 -72.4 -12.2 46.2 23.3 13.8 429 211 C W T 3 S+ 0 0 5 2,-0.1 2,-0.3 273,-0.0 -1,-0.2 0.653 75.6 96.0 -82.2 -21.0 48.4 20.6 12.1 430 212 C V S < S- 0 0 6 -3,-1.1 2,-0.1 272,-0.1 159,-0.0 -0.616 75.6-132.1 -72.2 130.6 45.5 18.3 11.1 431 213 C T > - 0 0 46 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.390 21.0-107.2 -80.0 158.4 44.6 19.1 7.4 432 214 C D H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.929 123.4 53.4 -47.3 -48.3 41.0 19.6 6.2 433 215 C K H > S+ 0 0 169 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.936 107.4 48.7 -53.8 -54.2 41.3 16.2 4.6 434 216 C Q H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.858 109.8 53.2 -55.1 -39.6 42.4 14.4 7.8 435 217 C A H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.944 110.1 45.7 -64.4 -50.6 39.5 16.0 9.8 436 218 C D H X S+ 0 0 96 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.947 113.4 51.2 -53.2 -50.1 36.9 14.8 7.3 437 219 C E H X S+ 0 0 53 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.951 110.2 50.5 -53.5 -50.8 38.6 11.4 7.4 438 220 C F H X S+ 0 0 2 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.866 114.2 42.1 -55.8 -46.0 38.5 11.5 11.2 439 221 C I H >< S+ 0 0 33 -4,-2.7 3,-1.0 2,-0.2 4,-0.3 0.954 116.0 48.8 -67.6 -49.5 34.8 12.3 11.3 440 222 C E H 3< S+ 0 0 125 -4,-3.1 3,-0.4 1,-0.2 -2,-0.2 0.864 116.2 41.5 -58.3 -41.1 33.7 9.9 8.6 441 223 C T H >X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.3 3,-1.1 0.463 83.1 107.5 -90.3 -1.1 35.7 6.9 10.0 442 224 C A H S+ 0 0 47 -3,-0.4 4,-3.4 -4,-0.3 -1,-0.3 0.774 104.0 60.2 -74.8 -26.3 32.2 4.7 13.9 444 226 C K H <> S+ 0 0 111 -3,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.889 113.9 38.0 -66.0 -38.7 34.7 2.2 12.4 445 227 C Y H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.771 116.1 52.8 -78.7 -30.0 37.1 2.9 15.3 446 228 C A H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.940 111.8 46.2 -68.2 -47.0 34.2 3.2 17.7 447 229 C D H X S+ 0 0 67 -4,-3.4 4,-1.9 1,-0.2 3,-0.3 0.833 109.6 54.7 -61.3 -37.2 33.0 -0.2 16.5 448 230 C K H X S+ 0 0 45 -4,-1.3 4,-2.5 1,-0.2 5,-0.3 0.930 101.0 59.3 -63.3 -43.1 36.5 -1.6 16.8 449 231 C A H <>S+ 0 0 0 -4,-2.0 5,-1.5 1,-0.2 6,-1.4 0.813 107.8 46.9 -54.2 -32.3 36.7 -0.4 20.4 450 232 C V H ><5S+ 0 0 49 -4,-1.0 3,-0.9 -3,-0.3 -1,-0.2 0.926 110.5 49.4 -76.9 -45.6 33.7 -2.7 21.1 451 233 C Q H 3<5S+ 0 0 150 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.845 109.6 52.6 -60.9 -36.3 35.0 -5.8 19.3 452 234 C X T 3<5S- 0 0 52 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.679 115.5-124.5 -70.4 -20.6 38.3 -5.5 21.1 453 235 C S T < 5S+ 0 0 75 -3,-0.9 -3,-0.2 -5,-0.3 23,-0.1 0.519 75.0 126.9 84.6 7.7 36.1 -5.4 24.3 454 236 C A S S- 0 0 48 1,-0.1 4,-1.5 -8,-0.0 -1,-0.1 -0.911 70.5-102.1-151.1 172.1 29.1 0.3 23.3 458 240 C R H > S+ 0 0 122 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.837 119.3 55.7 -68.6 -35.7 29.8 2.9 20.7 459 241 C A H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.818 103.9 54.5 -65.8 -34.6 28.1 5.6 22.8 460 242 C E H > S+ 0 0 64 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.936 109.8 47.2 -62.7 -47.6 30.5 4.8 25.7 461 243 C Y H X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.964 113.8 46.8 -59.9 -53.4 33.4 5.3 23.3 462 244 C Y H X S+ 0 0 12 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.877 113.8 48.5 -55.4 -40.4 31.9 8.6 22.0 463 245 C R H X S+ 0 0 150 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.870 108.4 55.6 -69.6 -35.9 31.2 9.8 25.6 464 246 C X H X>S+ 0 0 15 -4,-2.5 4,-3.1 2,-0.2 5,-0.6 0.967 107.8 47.4 -59.8 -52.4 34.7 8.9 26.7 465 247 C Y H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 114.6 45.6 -59.5 -44.9 36.3 11.0 24.0 466 248 C V H <5S+ 0 0 41 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.927 115.3 48.1 -63.7 -41.3 34.1 14.0 24.8 467 249 C S H <5S- 0 0 66 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.870 99.2-141.2 -63.4 -39.8 34.6 13.5 28.4 468 250 C R T <5 + 0 0 45 -4,-3.1 114,-0.9 1,-0.2 2,-0.5 0.340 66.0 108.1 85.7 3.8 38.4 13.2 28.0 469 251 C K < - 0 0 129 -5,-0.6 2,-0.7 113,-0.2 -1,-0.2 -0.929 51.1-163.4-111.8 126.0 38.8 10.6 30.5 470 252 C Y + 0 0 14 -2,-0.5 2,-0.3 109,-0.1 109,-0.1 -0.898 16.3 168.4-112.2 114.2 39.6 7.1 29.3 471 253 C Q - 0 0 148 -2,-0.7 2,-0.3 110,-0.0 123,-0.1 -0.890 10.2-169.4-123.7 152.6 39.1 4.3 31.7 472 254 C Y - 0 0 37 -2,-0.3 2,-0.3 -17,-0.0 -17,-0.1 -0.974 29.5-103.2-142.3 149.0 39.1 0.6 31.2 473 255 C K >> - 0 0 160 -19,-0.3 4,-1.6 -2,-0.3 3,-1.0 -0.574 34.6-120.9 -72.5 134.3 38.2 -2.6 33.2 474 256 C K H 3> S+ 0 0 176 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.737 111.8 64.3 -46.4 -29.5 41.2 -4.4 34.4 475 257 C E H 3> S+ 0 0 131 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.949 105.1 43.1 -61.3 -49.7 40.1 -7.5 32.4 476 258 C F H <> S+ 0 0 11 -3,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.925 116.7 47.0 -60.4 -47.7 40.5 -5.6 29.1 477 259 C V H X S+ 0 0 19 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.866 111.5 48.7 -66.9 -39.3 43.9 -4.1 30.1 478 260 C E H < S+ 0 0 76 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.844 111.3 50.1 -74.8 -32.7 45.5 -7.3 31.5 479 261 C K H >< S+ 0 0 112 -4,-1.7 3,-0.9 -5,-0.2 4,-0.4 0.877 111.4 50.3 -65.6 -39.4 44.5 -9.3 28.4 480 262 C L H >X S+ 0 0 25 -4,-1.8 4,-0.6 1,-0.2 3,-0.6 0.862 103.2 59.7 -65.5 -36.5 46.0 -6.5 26.3 481 263 C K H 3X S+ 0 0 21 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.627 86.7 81.4 -68.4 -11.2 49.2 -6.6 28.3 482 264 C Q H <> S+ 0 0 95 -3,-0.9 4,-1.5 -4,-0.4 -1,-0.2 0.925 90.5 44.6 -65.3 -49.9 49.8 -10.2 27.3 483 265 C V H <> S+ 0 0 41 -3,-0.6 4,-2.3 -4,-0.4 5,-0.4 0.776 114.4 50.7 -66.0 -29.4 51.3 -9.7 23.8 484 266 C Y H X S+ 0 0 0 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.880 108.8 51.5 -72.1 -41.7 53.6 -6.9 25.1 485 267 C K H < S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 84,-0.2 0.790 114.3 46.8 -65.1 -28.1 54.7 -9.2 27.9 486 268 C E H < S+ 0 0 124 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.967 128.0 15.1 -74.5 -59.9 55.4 -11.9 25.2 487 269 C S H < S- 0 0 40 -4,-2.3 78,-0.4 1,-0.3 2,-0.2 0.725 102.2-116.0 -95.2 -24.6 57.4 -10.0 22.5 488 270 C G < - 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0 0 126 -5,-0.3 4,-1.8 1,-0.1 -1,-0.4 -0.824 61.2-133.8 -92.3 139.5 55.9 37.2 31.2 749 86 D A H > S+ 0 0 10 -2,-0.4 4,-2.6 1,-0.2 3,-0.4 0.979 99.2 42.3 -61.0 -65.5 57.0 33.7 32.0 750 87 D L H > S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.895 111.5 57.2 -48.3 -48.8 55.7 31.7 29.1 751 88 D D H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 111.2 41.3 -50.0 -51.5 56.7 34.4 26.6 752 89 D I H X S+ 0 0 0 -4,-1.8 4,-2.7 -3,-0.4 -1,-0.2 0.925 112.6 55.1 -66.1 -46.3 60.4 34.2 27.7 753 90 D Y H X S+ 0 0 3 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.925 109.5 48.3 -45.1 -49.7 60.3 30.4 27.9 754 91 D Q H X S+ 0 0 2 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.800 107.7 52.9 -72.8 -29.7 59.1 30.3 24.3 755 92 D A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 5,-0.2 0.912 108.9 51.4 -64.5 -45.3 61.8 32.7 23.1 756 93 D V H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.782 108.5 52.1 -62.2 -28.3 64.4 30.4 24.7 757 94 D Q H X S+ 0 0 10 -4,-1.4 4,-3.1 -5,-0.2 -1,-0.2 0.811 106.1 54.5 -77.0 -31.8 62.7 27.5 22.8 758 95 D T H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.976 110.2 43.8 -64.3 -56.2 63.0 29.4 19.5 759 96 D L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.911 116.7 49.4 -54.7 -40.8 66.8 30.0 19.9 760 97 D N H X S+ 0 0 3 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.923 105.3 56.5 -66.6 -42.4 67.0 26.4 21.0 761 98 D A H X S+ 0 0 5 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.912 102.5 56.5 -52.6 -47.7 64.9 25.2 18.0 762 99 D E H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.931 108.2 47.6 -48.7 -51.1 67.5 26.9 15.7 763 100 D N H X S+ 0 0 26 -4,-1.6 4,-3.1 1,-0.2 -1,-0.2 0.910 108.8 52.8 -60.7 -42.4 70.3 24.8 17.2 764 101 D X H X S+ 0 0 18 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.872 113.2 44.5 -63.7 -36.6 68.4 21.5 17.0 765 102 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.888 112.3 52.2 -71.4 -39.8 67.8 22.2 13.3 766 103 D L H < S+ 0 0 59 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.917 109.5 50.5 -60.6 -45.7 71.4 23.2 12.8 767 104 D N H < S+ 0 0 77 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.909 117.0 39.2 -58.3 -45.3 72.5 20.0 14.5 768 105 D Y H < S+ 0 0 54 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.967 126.6 30.8 -73.8 -60.6 70.3 17.8 12.3 769 106 D Y S < S- 0 0 36 -4,-2.6 3,-0.1 -5,-0.1 0, 0.0 -0.319 85.1-138.8 -75.8 179.0 70.7 19.5 9.0 770 107 D E S S+ 0 0 172 1,-0.3 2,-0.3 -2,-0.1 -4,-0.1 0.530 78.1 32.8-119.0 -3.0 74.2 21.1 8.8 771 108 D S - 0 0 69 -6,-0.2 -1,-0.3 0, 0.0 3,-0.0 -0.991 65.1-158.7-154.0 137.8 73.3 24.5 7.2 772 109 D L - 0 0 8 -2,-0.3 -6,-0.0 -3,-0.1 -10,-0.0 -0.934 34.2-110.2-124.3 147.7 70.3 26.8 7.4 773 110 D P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.835 98.0 -12.8 -36.6 -47.4 68.9 29.5 5.1 774 111 D F - 0 0 16 -3,-0.0 2,-0.4 -41,-0.0 -52,-0.0 -0.882 60.6-130.5-150.0 178.5 69.9 32.1 7.7 775 112 D Y - 0 0 112 -2,-0.3 2,-0.0 0, 0.0 -42,-0.0 -0.995 32.5-110.1-141.5 133.7 70.9 32.6 11.4 776 113 D L - 0 0 17 -2,-0.4 2,-0.8 1,-0.1 -42,-0.0 -0.304 16.9-125.6 -67.3 140.1 69.4 35.0 13.9 777 114 D N + 0 0 95 1,-0.1 4,-0.2 -44,-0.1 -1,-0.1 -0.816 43.9 169.0 -73.1 110.5 71.1 38.1 15.2 778 115 D R > + 0 0 62 -2,-0.8 4,-3.3 2,-0.1 5,-0.2 0.392 38.5 99.9-119.2 5.6 70.6 37.0 18.8 779 116 D Q H > S+ 0 0 149 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.952 89.1 44.2 -52.2 -60.4 72.7 39.4 21.0 780 117 D S H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 117.5 46.8 -56.1 -40.4 69.9 41.7 22.0 781 118 D I H > S+ 0 0 3 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.965 112.4 48.8 -66.4 -54.0 67.6 38.6 22.7 782 119 D L H X S+ 0 0 44 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.851 110.5 51.9 -53.2 -41.4 70.3 36.8 24.7 783 120 D A H X S+ 0 0 55 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.952 109.6 49.2 -61.4 -49.5 71.0 39.9 26.7 784 121 D N H X S+ 0 0 22 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.843 110.4 51.0 -58.2 -37.6 67.3 40.2 27.6 785 122 D I H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.933 108.5 50.9 -68.1 -47.1 67.1 36.6 28.6 786 123 D T H < S+ 0 0 86 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.934 113.4 47.1 -52.5 -47.7 70.1 37.0 30.9 787 124 D K H >X S+ 0 0 152 -4,-2.4 3,-1.5 1,-0.2 4,-0.6 0.910 109.6 50.9 -61.4 -48.7 68.4 40.0 32.5 788 125 D A H >< S+ 0 0 10 -4,-2.5 3,-1.1 1,-0.3 7,-0.3 0.874 107.5 53.5 -61.6 -37.8 65.0 38.4 32.9 789 126 D L T 3< S+ 0 0 17 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.456 103.6 58.4 -77.9 -1.2 66.5 35.3 34.6 790 127 D K T <4 S+ 0 0 160 -3,-1.5 2,-0.5 -4,-0.2 -1,-0.3 0.546 86.4 93.6 -97.5 -16.5 68.2 37.6 37.1 791 128 D D S XX S- 0 0 73 -3,-1.1 4,-2.1 -4,-0.6 3,-0.9 -0.712 71.1-145.5 -84.9 123.0 64.9 39.1 38.2 792 129 D A H 3> S+ 0 0 42 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.771 95.1 54.0 -59.5 -32.5 63.5 37.3 41.3 793 130 D H H 3> S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.763 109.3 46.8 -80.5 -25.6 59.8 37.6 40.2 794 131 D I H <> S+ 0 0 18 -3,-0.9 4,-3.2 -6,-0.3 5,-0.3 0.923 110.6 53.7 -75.9 -47.1 60.3 36.0 36.8 795 132 D R H X S+ 0 0 49 -4,-2.1 4,-2.9 -7,-0.3 -2,-0.2 0.911 111.8 45.2 -44.3 -51.8 62.3 33.2 38.5 796 133 D E H X S+ 0 0 95 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.899 111.8 51.7 -64.3 -43.9 59.4 32.6 40.9 797 134 D A H X S+ 0 0 43 -4,-1.6 4,-0.8 1,-0.2 3,-0.5 0.968 116.4 40.5 -57.4 -51.9 56.8 32.7 38.1 798 135 D X H >< S+ 0 0 0 -4,-3.2 16,-1.0 1,-0.2 15,-0.8 0.886 112.0 56.3 -61.6 -41.3 58.9 30.2 36.1 799 136 D A H 3< S+ 0 0 15 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.774 119.4 31.5 -67.0 -25.2 59.6 28.1 39.1 800 137 D H H 3< S+ 0 0 115 -4,-1.6 2,-0.4 -3,-0.5 -1,-0.2 0.374 81.6 132.4-112.0 1.9 55.9 27.7 39.9 801 138 D Y << + 0 0 50 -4,-0.8 12,-0.3 -3,-0.6 13,-0.1 -0.399 15.3 152.4 -61.3 111.8 54.4 27.8 36.4 802 139 D K + 0 0 113 -2,-0.4 2,-0.2 10,-0.1 5,-0.2 0.090 19.7 133.7-130.7 25.4 52.0 24.8 36.3 803 140 D L S > S- 0 0 122 3,-0.1 3,-1.3 4,-0.1 4,-0.1 -0.481 71.2 -21.4 -73.2 143.0 49.4 25.9 33.8 804 141 D G G > S- 0 0 43 1,-0.2 3,-2.3 2,-0.2 4,-0.2 -0.239 133.6 -2.9 59.8-139.0 48.4 23.3 31.1 805 142 D E G > S+ 0 0 26 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.689 121.6 73.6 -67.1 -19.1 50.7 20.4 30.4 806 143 D F G X S+ 0 0 5 -3,-1.3 3,-1.5 1,-0.3 -1,-0.3 0.691 81.0 74.4 -61.4 -20.8 53.4 21.8 32.8 807 144 D A G < S+ 0 0 48 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.788 92.2 56.4 -60.0 -23.6 51.0 20.5 35.5 808 145 D H G < S+ 0 0 66 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.3 0.247 95.4 78.3 -97.8 13.2 52.2 17.0 34.6 809 146 D Y < - 0 0 5 -3,-1.5 4,-0.1 1,-0.1 -295,-0.0 -0.984 52.6-166.2-126.9 128.7 55.9 17.7 35.1 810 147 D Q S S+ 0 0 68 -2,-0.4 2,-0.4 2,-0.1 -1,-0.1 0.785 76.8 89.4 -72.2 -32.2 57.8 17.8 38.4 811 148 D D S S- 0 0 9 1,-0.1 -2,-0.1 -452,-0.1 -452,-0.1 -0.573 85.4-126.7 -66.9 123.1 60.7 19.4 36.5 812 149 D T > - 0 0 16 -2,-0.4 4,-1.6 1,-0.1 -13,-0.1 -0.264 7.5-123.9 -77.8 159.5 60.1 23.1 36.6 813 150 D X H > S+ 0 0 0 -15,-0.8 4,-2.1 -12,-0.3 3,-0.4 0.961 113.4 57.1 -61.6 -51.8 59.9 25.5 33.7 814 151 D L H > S+ 0 0 0 -16,-1.0 4,-1.8 1,-0.3 -1,-0.2 0.894 107.7 48.3 -42.5 -49.7 62.7 27.6 35.2 815 152 D D H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.866 107.9 54.7 -63.2 -38.6 64.9 24.6 35.2 816 153 D X H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.4 -1,-0.2 0.892 111.0 43.8 -63.3 -41.0 64.1 23.7 31.6 817 154 D V H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.871 114.0 51.4 -72.6 -33.8 65.1 27.2 30.3 818 155 D E H X S+ 0 0 34 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.895 110.0 47.0 -72.6 -40.4 68.2 27.2 32.4 819 156 D R H X S+ 0 0 41 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.844 114.5 50.1 -67.8 -32.6 69.3 23.8 31.2 820 157 D T H >X S+ 0 0 0 -4,-1.5 3,-1.7 -5,-0.2 4,-0.6 0.956 106.0 54.5 -69.1 -50.1 68.6 25.1 27.7 821 158 D I H >< S+ 0 0 52 -4,-3.4 3,-1.3 1,-0.3 -2,-0.2 0.855 101.9 58.7 -52.4 -38.7 70.6 28.3 28.2 822 159 D E H 3< S+ 0 0 134 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.765 101.4 55.9 -64.1 -25.4 73.6 26.2 29.3 823 160 D T H << 0 0 67 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.595 360.0 360.0 -85.7 -11.8 73.5 24.5 25.9 824 161 D F << 0 0 77 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.822 360.0 360.0 -64.2 360.0 73.7 27.9 24.1