==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/SIGNALING PROTEIN 15-JUL-11 3SY2 . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE SOPA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.DIAO,D.Y.LIN,J.CHEN . 1533 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1052 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 5.4 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 97 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 214 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 502 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 9 2 3 3 9 2 4 4 0 5 1 6 2 3 2 2 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 5 4 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 1 2 9 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 3 4 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 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 1 168 A S 0 0 145 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.9 25.0 -22.1 106.4 2 169 A S >> - 0 0 77 1,-0.1 4,-0.9 33,-0.0 3,-0.9 -0.235 360.0-104.7 -73.2 171.3 22.7 -20.8 103.7 3 170 A P H 3> S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 31,-0.1 0.751 116.5 71.8 -70.7 -22.6 23.4 -21.3 100.0 4 171 A A H 3> S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.801 99.8 45.8 -61.5 -30.0 24.5 -17.7 99.8 5 172 A D H <4 S+ 0 0 49 -3,-0.9 -1,-0.2 2,-0.2 -3,-0.0 0.760 109.6 52.4 -84.4 -30.0 27.6 -18.6 101.8 6 173 A W H >< S+ 0 0 81 -4,-0.9 3,-0.5 28,-0.3 4,-0.3 0.798 111.9 53.5 -64.3 -32.2 28.2 -21.7 99.6 7 174 A A H >X S+ 0 0 25 -4,-1.9 3,-1.9 1,-0.2 4,-1.6 0.994 109.0 40.0 -66.8 -69.1 27.9 -19.1 96.9 8 175 A K T 3< S+ 0 0 65 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.205 109.7 68.1 -70.8 19.0 30.5 -16.5 97.9 9 176 A K T <4 S+ 0 0 51 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.486 105.1 35.5-115.6 -12.5 32.7 -19.4 98.9 10 177 A L T X> S+ 0 0 48 -3,-1.9 3,-1.8 -4,-0.3 4,-1.2 0.569 102.5 78.4-104.8 -23.3 33.3 -20.8 95.4 11 178 A T T 3< S+ 0 0 40 -4,-1.6 3,-0.3 1,-0.3 4,-0.1 0.939 106.2 29.5 -45.9 -56.6 33.4 -17.3 93.9 12 179 A D T 34 S+ 0 0 56 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.161 108.1 73.3-103.1 38.9 36.9 -16.7 95.1 13 180 A A T <> S+ 0 0 13 -3,-1.8 4,-0.5 2,-0.1 -1,-0.2 0.614 99.2 41.8-117.6 -29.9 38.2 -20.3 95.0 14 181 A V H X S+ 0 0 14 -4,-1.2 4,-0.6 -3,-0.3 -2,-0.1 0.397 107.0 66.8 -94.6 -1.8 38.6 -20.8 91.3 15 182 A L H 4 S+ 0 0 76 -5,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.741 95.9 53.8 -84.2 -28.2 40.0 -17.2 91.2 16 183 A R H >4 S+ 0 0 164 2,-0.2 3,-1.1 1,-0.2 5,-0.4 0.853 108.6 49.2 -69.6 -37.0 43.0 -18.5 93.2 17 184 A Q H 3< S+ 0 0 52 -4,-0.5 3,-0.5 1,-0.3 -2,-0.2 0.801 109.0 52.4 -68.1 -31.2 43.4 -21.1 90.5 18 185 A K T 3< S+ 0 0 70 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.260 110.8 50.2 -84.3 9.7 43.1 -18.3 88.0 19 186 A A S < S- 0 0 84 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.352 123.3-100.7-124.3 -3.4 45.9 -16.6 90.0 20 187 A G S S+ 0 0 61 -3,-0.5 -3,-0.1 -4,-0.3 -4,-0.1 -0.363 78.4 125.8 119.5 -53.0 48.3 -19.6 90.1 21 188 A E - 0 0 58 -5,-0.4 -1,-0.3 -2,-0.1 -2,-0.2 -0.140 52.2-140.5 -47.2 121.3 47.9 -21.2 93.5 22 189 A T - 0 0 91 -3,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.395 16.1-125.5 -76.0 163.9 47.2 -24.9 93.1 23 190 A L - 0 0 16 -2,-0.1 5,-0.1 1,-0.1 -1,-0.0 -0.960 15.7-133.8-123.8 125.7 44.7 -26.5 95.4 24 191 A T > - 0 0 62 -2,-0.5 4,-1.6 1,-0.1 -1,-0.1 0.200 41.7 -83.8 -61.6-174.2 45.3 -29.5 97.6 25 192 A A T 4 S+ 0 0 83 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.903 131.7 44.8 -60.9 -42.4 42.9 -32.5 98.1 26 193 A A T >4 S+ 0 0 81 1,-0.1 3,-0.6 2,-0.1 -1,-0.2 0.871 106.9 60.5 -70.0 -38.7 40.9 -30.7 100.7 27 194 A D T 34 S+ 0 0 74 1,-0.3 2,-2.0 3,-0.0 -2,-0.2 0.967 103.8 46.4 -54.4 -64.2 40.8 -27.4 98.7 28 195 A R T 3< S+ 0 0 87 -4,-1.6 -1,-0.3 -5,-0.1 2,-0.2 -0.418 87.3 104.3 -81.6 63.5 39.0 -28.7 95.6 29 196 A D < + 0 0 79 -2,-2.0 2,-0.6 -3,-0.6 -1,-0.1 -0.634 30.6 159.8-146.0 82.2 36.3 -30.6 97.5 30 197 A F > + 0 0 34 -2,-0.2 3,-0.7 3,-0.0 2,-0.1 -0.463 22.7 158.9-103.2 60.1 32.9 -28.9 97.5 31 198 A S T 3 + 0 0 29 -2,-0.6 32,-0.2 1,-0.2 30,-0.1 -0.413 57.8 20.0 -80.2 156.5 30.7 -31.9 98.4 32 199 A N T 3 S+ 0 0 101 30,-3.9 -1,-0.2 1,-0.1 31,-0.2 0.662 87.3 160.2 61.9 20.1 27.2 -31.7 99.8 33 200 A A < - 0 0 16 -3,-0.7 32,-1.0 29,-0.4 2,-0.3 -0.053 33.1-145.4 -64.4 169.4 26.8 -28.1 98.7 34 201 A D + 0 0 34 30,-0.2 -28,-0.3 -32,-0.1 -27,-0.1 -0.872 29.7 157.6-144.1 107.5 23.5 -26.2 98.3 35 202 A F > + 0 0 32 -2,-0.3 3,-1.3 -29,-0.1 31,-0.1 0.085 23.1 162.5-118.2 21.0 23.2 -23.6 95.5 36 203 A R T 3 - 0 0 140 29,-0.4 32,-0.2 1,-0.2 31,-0.1 -0.042 66.5 -4.4 -44.6 135.6 19.4 -23.7 95.2 37 204 A N T 3 S+ 0 0 129 30,-0.5 2,-0.6 29,-0.4 -1,-0.2 0.728 91.7 141.1 53.9 31.7 17.7 -20.7 93.5 38 205 A I < - 0 0 36 -3,-1.3 2,-1.3 28,-0.2 32,-0.6 -0.885 51.1-140.8-113.0 106.7 20.9 -18.8 93.0 39 206 A T B > -a 70 0A 67 -2,-0.6 3,-1.6 1,-0.2 4,-0.4 -0.456 19.4-157.8 -61.8 93.0 21.4 -16.9 89.6 40 207 A F T 3 S+ 0 0 35 -2,-1.3 -1,-0.2 30,-1.1 31,-0.1 0.557 77.5 73.3 -58.9 -12.8 25.1 -17.8 89.3 41 208 A S T > S+ 0 0 52 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.867 87.0 62.1 -70.4 -36.4 25.9 -14.8 87.0 42 209 A K T < S+ 0 0 168 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.890 110.1 37.6 -60.6 -44.0 25.7 -12.2 89.7 43 210 A I T 3 S+ 0 0 83 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.1 -0.231 107.9 78.9-103.7 45.3 28.5 -13.5 91.8 44 211 A L S < S- 0 0 36 -3,-1.4 -33,-0.0 -2,-0.0 5,-0.0 -0.993 85.5-101.2-147.2 144.9 30.8 -14.6 88.9 45 212 A P > - 0 0 47 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.296 37.3-112.3 -63.8 150.8 33.1 -12.7 86.5 46 213 A P T 3 S+ 0 0 105 0, 0.0 -5,-0.0 0, 0.0 -4,-0.0 0.268 107.3 73.8 -70.5 15.2 31.7 -12.0 83.1 47 214 A S T > S+ 0 0 33 2,-0.1 3,-1.4 1,-0.1 7,-0.3 0.755 83.7 59.1 -99.0 -31.9 34.2 -14.4 81.5 48 215 A F T < S+ 0 0 22 -3,-1.2 27,-0.3 1,-0.3 -1,-0.1 0.561 105.6 53.6 -73.4 -8.6 32.8 -17.7 82.5 49 216 A M T 3 S+ 0 0 77 -4,-0.3 2,-0.4 25,-0.1 -1,-0.3 0.205 97.4 86.2-107.5 12.4 29.6 -16.7 80.6 50 217 A E S X S- 0 0 130 -3,-1.4 3,-0.9 4,-0.1 4,-0.2 -0.927 89.2 -96.7-118.0 140.2 31.6 -16.0 77.4 51 218 A R T 3 S+ 0 0 103 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.0 -0.196 110.8 13.1 -48.7 135.7 32.6 -18.3 74.6 52 219 A D T 3 S+ 0 0 113 -4,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.890 100.5 132.3 59.2 41.6 36.2 -19.6 75.0 53 220 A G < - 0 0 35 -3,-0.9 2,-0.3 1,-0.2 -5,-0.2 0.711 58.3 -43.2 -88.6-112.2 36.2 -18.3 78.6 54 221 A D - 0 0 78 -7,-0.3 21,-0.5 -4,-0.2 2,-0.4 -0.948 42.2-135.6-132.6 152.5 37.4 -20.3 81.6 55 222 A I - 0 0 74 -2,-0.3 2,-1.3 19,-0.1 21,-0.2 -0.883 12.2-137.7-112.2 133.5 37.1 -23.8 82.9 56 223 A I E -c 76 0B 22 19,-1.3 21,-1.4 -2,-0.4 2,-0.6 -0.703 40.6-175.0 -85.8 89.2 36.3 -24.9 86.5 57 224 A K E +c 77 0B 91 -2,-1.3 21,-0.2 1,-0.2 22,-0.1 -0.803 44.5 15.2-107.4 118.2 38.8 -27.8 86.6 58 225 A G S S+ 0 0 18 19,-1.3 21,-0.2 20,-0.6 -1,-0.2 0.799 79.3 133.6 107.0 38.6 39.4 -30.4 89.3 59 226 A F - 0 0 13 19,-0.6 -30,-0.1 18,-0.4 -1,-0.1 -0.241 46.7-141.0-108.0-168.7 36.5 -30.4 91.8 60 227 A N + 0 0 36 19,-0.2 2,-1.6 -2,-0.1 21,-0.1 -0.398 22.3 169.2-156.4 68.8 34.2 -32.8 93.6 61 228 A F > + 0 0 13 19,-1.1 3,-0.7 -30,-0.1 2,-0.2 -0.433 18.6 161.9 -87.4 63.8 30.6 -31.6 93.8 62 229 A S T 3 + 0 0 12 -2,-1.6 -30,-3.9 1,-0.2 -29,-0.4 -0.594 63.6 12.2 -80.7 143.5 29.0 -34.8 95.1 63 230 A N T 3 S+ 0 0 80 19,-1.4 -1,-0.2 18,-0.4 20,-0.1 0.552 85.9 162.1 73.7 8.8 25.5 -34.6 96.7 64 231 A S < - 0 0 3 -3,-0.7 21,-1.3 18,-0.1 2,-0.3 -0.212 35.9-143.3 -62.9 151.8 25.0 -31.0 95.6 65 232 A K + 0 0 31 -32,-1.0 -29,-0.4 19,-0.2 21,-0.1 -0.477 36.8 153.8-117.3 62.0 21.4 -29.6 95.6 66 233 A F > + 0 0 40 -2,-0.3 3,-3.5 19,-0.2 -29,-0.4 0.643 20.1 142.3 -62.7 -18.5 21.3 -27.3 92.5 67 234 A T T 3 S+ 0 0 14 18,-1.7 -30,-0.5 1,-0.3 21,-0.2 0.040 77.6 9.7 -37.1 116.0 17.5 -27.7 92.1 68 235 A Y T 3 S+ 0 0 143 1,-0.3 -1,-0.3 18,-0.3 2,-0.2 0.223 100.8 122.4 97.2 -9.5 16.3 -24.3 90.9 69 236 A S < - 0 0 6 -3,-3.5 21,-1.5 -32,-0.2 2,-0.6 -0.565 59.7-127.9 -87.4 148.4 19.7 -22.7 90.3 70 237 A D B +ab 39 90A 22 -32,-0.6 -30,-1.1 -2,-0.2 21,-0.2 -0.857 29.5 169.3-101.2 115.8 20.8 -21.3 87.0 71 238 A I > + 0 0 15 19,-2.8 3,-1.0 -2,-0.6 20,-0.2 -0.165 25.4 164.6-112.1 38.0 24.1 -22.6 85.6 72 239 A S T 3 - 0 0 24 1,-0.2 21,-0.2 18,-0.2 20,-0.1 -0.266 59.9 -1.8 -67.8 137.7 23.7 -21.0 82.1 73 240 A H T 3 S+ 0 0 85 19,-1.6 2,-0.4 18,-0.2 -1,-0.2 0.725 95.8 135.0 63.1 26.9 26.5 -20.7 79.6 74 241 A L < - 0 0 20 -3,-1.0 21,-2.7 -25,-0.1 2,-0.6 -0.878 44.0-149.1-114.1 139.7 29.1 -22.1 82.0 75 242 A H E - d 0 95B 73 -21,-0.5 -19,-1.3 -2,-0.4 2,-0.3 -0.914 11.2-168.9-114.7 116.1 31.8 -24.7 81.2 76 243 A F E -cd 56 96B 18 19,-2.1 21,-3.1 -2,-0.6 2,-0.4 -0.781 2.1-166.1 -99.0 145.5 33.0 -27.3 83.8 77 244 A D E -cd 57 97B 24 -21,-1.4 -19,-1.3 -2,-0.3 -18,-0.4 -0.995 64.6 -6.0-131.3 137.7 36.0 -29.5 83.4 78 245 A E S S+ 0 0 95 19,-1.9 -19,-0.6 -2,-0.4 -20,-0.6 0.901 90.3 145.5 53.2 50.8 37.1 -32.6 85.4 79 246 A C - 0 0 5 18,-0.5 21,-0.8 -21,-0.2 2,-0.4 -0.846 44.8-129.7-121.9 156.6 34.4 -32.3 88.1 80 247 A R B +g 100 0C 119 -2,-0.3 -19,-1.1 19,-0.2 21,-0.2 -0.888 30.2 159.0-109.4 134.2 32.3 -34.8 90.1 81 248 A F > + 0 0 2 19,-2.6 3,-1.5 -2,-0.4 -18,-0.4 0.432 18.2 153.0-129.0 -10.0 28.5 -34.6 90.5 82 249 A T T 3 S+ 0 0 6 18,-0.7 -19,-1.4 1,-0.2 21,-0.2 0.064 73.8 9.5 -32.1 119.8 27.5 -38.1 91.5 83 250 A Y T 3 S+ 0 0 142 19,-1.7 -1,-0.2 20,-1.0 21,-0.2 0.586 94.5 138.0 84.3 16.1 24.3 -38.0 93.5 84 251 A S < - 0 0 2 -3,-1.5 21,-1.1 18,-0.4 2,-0.4 -0.102 47.8-130.2 -81.8-178.3 23.3 -34.4 92.9 85 252 A T B +i 105 0D 51 -21,-1.3 -18,-1.7 19,-0.2 -19,-0.2 -0.918 34.5 155.7-138.5 114.2 19.9 -32.9 92.1 86 253 A L > + 0 0 9 19,-2.6 3,-2.3 -2,-0.4 -18,-0.3 0.306 25.4 140.1-117.3 5.2 19.4 -30.5 89.2 87 254 A S T 3 S+ 0 0 24 1,-0.3 21,-0.2 18,-0.2 -19,-0.1 -0.325 76.2 16.9 -58.6 125.7 15.7 -31.0 88.5 88 255 A D T 3 S+ 0 0 81 19,-0.7 -1,-0.3 1,-0.3 20,-0.1 0.454 96.3 143.2 89.2 6.8 14.0 -27.7 87.7 89 256 A V < - 0 0 5 -3,-2.3 20,-2.1 -21,-0.1 2,-0.5 -0.307 49.9-129.6 -73.5 156.1 17.4 -26.0 87.0 90 257 A V B +b 70 0A 46 -21,-1.5 -19,-2.8 18,-0.1 -18,-0.2 -0.952 37.6 155.9-107.0 129.4 18.1 -23.4 84.3 91 258 A C > - 0 0 7 -2,-0.5 3,-3.1 -21,-0.2 -18,-0.2 0.005 14.8-177.1-148.1 33.7 21.1 -24.3 82.1 92 259 A S T 3 S- 0 0 24 1,-0.3 -19,-1.6 -20,-0.1 23,-0.2 -0.125 81.8 -14.5 -44.1 109.5 20.8 -22.6 78.7 93 260 A N T 3 S+ 0 0 61 21,-1.6 -1,-0.3 -21,-0.2 22,-0.1 0.697 94.1 166.5 69.0 21.2 23.8 -23.8 76.7 94 261 A T < - 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0 0 45 -5,-0.4 -1,-0.3 1,-0.1 2,-0.2 -0.227 34.2-129.7 -60.6 146.4 -2.4 -42.9 67.8 221 388 A T >> - 0 0 90 -3,-0.1 3,-1.4 1,-0.1 4,-0.8 -0.483 23.1 -97.8-106.1 166.3 -3.7 -42.6 64.3 222 389 A E H >> S+ 0 0 116 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.845 123.7 56.5 -45.0 -42.5 -2.4 -41.5 60.8 223 390 A A H 34 S+ 0 0 82 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.865 108.1 46.3 -58.7 -38.9 -4.0 -38.2 61.4 224 391 A C H <4 S+ 0 0 40 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.505 111.7 50.2 -86.3 -4.8 -2.1 -37.6 64.7 225 392 A I H X< S+ 0 0 11 -3,-0.9 3,-1.2 -4,-0.8 4,-0.2 0.488 83.2 91.0-111.2 -7.5 1.3 -38.6 63.4 226 393 A R G >< S+ 0 0 61 -4,-0.8 3,-1.4 -3,-0.4 4,-0.5 0.853 79.3 56.5 -62.8 -41.5 1.5 -36.5 60.3 227 394 A P G 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.537 112.9 44.2 -74.6 -2.4 3.1 -33.4 61.7 228 395 A V G <> S+ 0 0 0 -3,-1.2 4,-1.7 2,-0.1 -2,-0.2 0.255 84.8 96.7-117.6 7.4 6.0 -35.5 62.9 229 396 A E H <> S+ 0 0 6 -3,-1.4 4,-2.0 -4,-0.2 5,-0.3 0.940 88.0 44.6 -56.1 -51.4 6.4 -37.6 59.7 230 397 A S H > S+ 0 0 21 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.852 113.9 49.7 -65.1 -36.7 9.2 -35.4 58.4 231 398 A S H 4 S+ 0 0 0 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.788 110.9 50.4 -73.0 -28.9 11.0 -35.3 61.7 232 399 A L H >X S+ 0 0 3 -4,-1.7 4,-3.1 2,-0.2 3,-0.8 0.920 113.0 41.9 -77.3 -48.0 10.8 -39.1 62.1 233 400 A V H 3X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.5 0.966 102.2 68.4 -63.3 -51.4 12.2 -40.1 58.8 234 401 A S H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.679 120.5 20.4 -43.6 -24.0 14.9 -37.4 58.8 235 402 A V H X4 S+ 0 0 1 -3,-0.8 3,-0.6 -4,-0.3 6,-0.3 0.758 128.3 45.2-109.4 -47.2 16.5 -39.4 61.6 236 403 A L H 3< S+ 0 0 5 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.561 102.2 65.0 -82.3 -10.8 15.1 -43.0 61.4 237 404 A A T 3< S+ 0 0 21 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.1 0.702 91.8 70.1 -87.7 -21.2 15.5 -43.5 57.7 238 405 A H S X S- 0 0 40 -3,-0.6 3,-1.2 -5,-0.5 43,-0.0 -0.615 92.4 -53.2 -92.9 155.8 19.3 -43.3 57.5 239 406 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.218 114.4 35.8 -50.8 155.1 21.7 -46.0 58.9 240 407 A P T >> S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.9 -0.994 118.6 56.7 -85.6 -1.0 22.2 -47.4 61.4 241 408 A Y T <4 S+ 0 0 2 -3,-1.2 -5,-0.0 1,-0.3 -3,-0.0 0.408 96.8 68.0 -71.3 3.7 18.4 -47.4 61.9 242 409 A T T 34 S+ 0 0 74 1,-0.1 -1,-0.3 5,-0.0 6,-0.1 0.739 96.1 54.1 -88.5 -26.7 18.1 -49.1 58.5 243 410 A Q T <4 S+ 0 0 87 -3,-1.7 2,-0.2 4,-0.0 -2,-0.2 0.897 86.0 94.0 -71.0 -43.2 19.7 -52.3 60.0 244 411 A S X - 0 0 8 -4,-0.9 4,-1.7 1,-0.2 5,-0.2 -0.337 61.5-159.9 -56.9 118.1 17.2 -52.5 62.9 245 412 A A H > S+ 0 0 75 -2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 88.4 50.0 -69.9 -40.8 14.4 -54.8 61.8 246 413 A L H > S+ 0 0 86 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.793 113.6 46.4 -70.8 -28.6 11.8 -53.6 64.4 247 414 A I H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.800 111.0 51.0 -82.2 -33.2 12.4 -50.0 63.5 248 415 A S H X S+ 0 0 46 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.914 107.4 54.4 -69.7 -42.6 12.3 -50.5 59.7 249 416 A E H < S+ 0 0 141 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.936 113.4 39.9 -55.2 -52.6 9.0 -52.4 60.0 250 417 A W H X S+ 0 0 43 -4,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.883 115.0 51.7 -67.5 -40.3 7.2 -49.7 61.9 251 418 A L H X S+ 0 0 15 -4,-1.7 4,-1.9 1,-0.2 5,-0.3 0.763 89.9 80.2 -72.7 -28.4 8.7 -46.8 59.9 252 419 A G H >X S+ 0 0 24 -4,-1.9 4,-1.8 1,-0.2 3,-1.1 0.922 96.6 41.1 -41.8 -66.0 7.8 -48.2 56.4 253 420 A P H 3> S+ 0 0 60 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.841 112.3 58.5 -53.3 -35.6 4.1 -47.1 56.5 254 421 A V H 3X S+ 0 0 4 -4,-0.7 4,-0.9 1,-0.2 -2,-0.2 0.807 107.9 44.9 -66.4 -31.3 5.3 -43.8 58.0 255 422 A Q H - 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0 0 64 -2,-0.7 4,-1.6 -3,-0.2 8,-0.1 -0.318 3.1-149.2 -61.8 126.2 4.4 2.6 59.5 448 615 A T T 4 S+ 0 0 106 -5,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.848 92.0 62.4 -63.3 -36.3 7.7 3.3 57.7 449 616 A E T 4 S+ 0 0 98 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.970 122.4 14.0 -54.3 -62.3 7.9 6.8 59.1 450 617 A E T 4 S+ 0 0 81 1,-0.2 2,-0.6 2,-0.1 -2,-0.2 0.954 130.5 44.7 -82.9 -56.0 8.0 5.9 62.8 451 618 A H < + 0 0 42 -4,-1.6 -1,-0.2 1,-0.2 -5,-0.0 -0.827 55.1 138.2 -97.0 122.6 8.8 2.1 62.7 452 619 A G > + 0 0 40 -2,-0.6 4,-2.0 -3,-0.1 5,-0.2 0.525 66.2 64.4-129.6 -30.8 11.5 1.0 60.3 453 620 A E H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.998 108.1 39.5 -55.6 -72.7 13.4 -1.5 62.4 454 621 A L H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.866 112.8 61.4 -43.8 -45.0 10.5 -4.0 62.7 455 622 A N H >> S+ 0 0 23 1,-0.3 4,-3.1 2,-0.2 3,-0.6 0.948 105.1 40.9 -53.7 -65.0 9.5 -3.3 59.1 456 623 A Q H 3X S+ 0 0 63 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.750 117.0 56.0 -55.5 -21.7 12.7 -4.5 57.3 457 624 A Q H 3X S+ 0 0 44 -4,-1.4 4,-2.2 -3,-0.3 -2,-0.2 0.843 107.6 43.7 -79.1 -39.9 12.6 -7.3 59.9 458 625 A F H << S+ 0 0 2 -4,-2.6 4,-0.3 -3,-0.6 -2,-0.2 0.926 118.3 47.1 -67.2 -46.6 9.1 -8.5 59.0 459 626 A L H >< S+ 0 0 54 -4,-3.1 3,-1.5 -5,-0.2 4,-0.3 0.934 112.5 50.1 -55.6 -49.9 10.1 -8.1 55.4 460 627 A A H >< S+ 0 0 45 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.907 101.3 60.9 -56.8 -46.2 13.4 -9.9 56.1 461 628 A A G >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.528 90.1 75.7 -63.5 -4.1 11.7 -12.9 57.8 462 629 A T G < S+ 0 0 17 -3,-1.5 146,-0.3 -4,-0.3 -1,-0.3 0.738 87.8 53.8 -82.6 -24.9 9.8 -13.7 54.6 463 630 A N G < S+ 0 0 109 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 -0.059 101.1 64.4-104.1 36.0 12.6 -15.3 52.6 464 631 A Q S < S- 0 0 81 -3,-0.6 145,-0.1 1,-0.1 144,-0.1 -0.936 76.5-129.7-158.8 130.5 13.7 -17.9 55.1 465 632 A K S S+ 0 0 55 -2,-0.3 2,-0.3 143,-0.1 -1,-0.1 0.813 98.1 10.5 -48.9 -35.3 12.0 -21.0 56.6 466 633 A H - 0 0 96 -3,-0.1 2,-0.3 68,-0.0 68,-0.2 -0.925 69.0-142.0-139.8 167.8 13.1 -19.6 60.0 467 634 A S - 0 0 13 66,-1.9 -6,-0.0 -2,-0.3 -3,-0.0 -0.978 11.0-148.2-131.8 144.1 14.6 -16.5 61.6 468 635 A T S S+ 0 0 134 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.867 81.0 83.3 -76.0 -37.3 17.1 -16.1 64.4 469 636 A V - 0 0 59 -12,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.522 63.1-175.7 -70.9 124.9 15.5 -12.8 65.6 470 637 A K - 0 0 51 -2,-0.3 66,-0.2 1,-0.0 65,-0.1 -0.567 24.2-149.1-111.8-179.4 12.5 -13.3 67.9 471 638 A L + 0 0 4 64,-2.3 9,-0.1 -2,-0.2 65,-0.1 -0.135 63.9 105.2-146.0 41.8 10.0 -11.0 69.6 472 639 A I + 0 0 57 70,-0.1 2,-0.1 64,-0.1 69,-0.1 0.364 55.0 109.0-101.9 1.9 9.0 -12.5 72.9 473 640 A D S > S- 0 0 77 1,-0.1 3,-1.5 -3,-0.0 4,-0.4 -0.444 83.3-108.9 -77.8 157.0 11.1 -10.1 74.9 474 641 A D T >> S+ 0 0 142 1,-0.3 4,-1.6 2,-0.2 3,-0.7 0.746 114.5 54.4 -63.9 -31.0 9.3 -7.4 77.0 475 642 A A H 3> S+ 0 0 69 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.673 107.1 52.8 -77.1 -17.6 10.3 -4.4 74.9 476 643 A S H <> S+ 0 0 15 -3,-1.5 4,-1.0 3,-0.2 -1,-0.2 0.416 104.7 57.3 -96.3 -1.8 8.8 -6.1 71.8 477 644 A V H <> S+ 0 0 53 -3,-0.7 4,-2.5 -4,-0.4 5,-0.3 0.896 111.7 37.6 -87.2 -58.8 5.6 -6.7 73.6 478 645 A S H X S+ 0 0 83 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.878 119.2 54.0 -56.4 -38.0 4.8 -3.1 74.4 479 646 A R H >< S+ 0 0 116 -4,-0.8 3,-0.6 -5,-0.2 4,-0.2 0.989 113.5 38.1 -59.9 -62.1 6.3 -2.2 71.0 480 647 A L H >X S+ 0 0 1 -4,-1.0 3,-3.6 1,-0.2 4,-1.5 0.955 111.6 56.4 -53.7 -59.8 4.1 -4.5 69.0 481 648 A A H 3X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.766 98.7 62.7 -49.6 -30.2 0.8 -4.1 70.9 482 649 A T H << S+ 0 0 101 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.533 112.0 38.4 -73.9 -3.7 1.0 -0.3 70.3 483 650 A I H <4 S+ 0 0 16 -3,-3.6 -2,-0.2 -4,-0.2 -1,-0.2 0.650 121.7 39.6-114.9 -28.9 0.7 -1.1 66.6 484 651 A F H >X S+ 0 0 1 -4,-1.5 3,-1.1 2,-0.1 4,-0.6 0.795 101.6 67.4 -93.0 -34.2 -1.8 -3.9 66.6 485 652 A D T 3< S+ 0 0 102 -4,-2.2 3,-0.3 1,-0.3 6,-0.2 0.769 98.5 53.4 -63.6 -28.8 -4.2 -2.8 69.3 486 653 A P T 34 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.704 107.7 52.4 -73.2 -21.4 -5.4 0.2 67.1 487 654 A L T <4 S+ 0 0 25 -3,-1.1 7,-2.8 1,-0.2 -2,-0.2 0.523 107.7 55.0 -89.5 -9.2 -6.2 -2.3 64.3 488 655 A L >< - 0 0 26 -4,-0.6 3,-1.5 -3,-0.3 2,-0.3 -0.556 68.8-176.8-129.0 68.0 -8.3 -4.5 66.5 489 656 A P G > S- 0 0 60 0, 0.0 3,-1.9 0, 0.0 -4,-0.0 -0.500 80.6 -6.2 -66.2 125.3 -11.1 -2.6 68.2 490 657 A E G 3 S- 0 0 99 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.769 127.3 -66.0 61.6 26.1 -13.0 -4.9 70.6 491 658 A G G < S+ 0 0 48 -3,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.546 114.4 109.6 72.6 7.0 -11.0 -7.8 69.3 492 659 A K S < S- 0 0 119 -3,-1.9 2,-0.5 62,-0.1 -1,-0.3 -0.661 81.5 -81.9-106.9 169.8 -12.5 -7.5 65.9 493 660 A L - 0 0 11 58,-0.3 -5,-0.2 -2,-0.2 -6,-0.0 -0.587 47.7-110.8 -80.6 120.3 -10.9 -6.4 62.6 494 661 A S > - 0 0 17 -7,-2.8 4,-2.7 -2,-0.5 5,-0.2 -0.227 18.2-141.3 -48.0 121.1 -10.8 -2.6 62.2 495 662 A P H > S+ 0 0 95 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.755 103.0 52.1 -57.1 -27.5 -13.2 -1.5 59.4 496 663 A A H > S+ 0 0 61 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.893 110.4 46.2 -77.1 -41.7 -10.6 1.0 58.3 497 664 A H H >> S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.940 109.1 54.8 -65.0 -49.5 -7.8 -1.5 58.1 498 665 A Y H 3X S+ 0 0 22 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.896 105.7 52.7 -49.9 -46.5 -9.9 -4.1 56.3 499 666 A Q H 3X S+ 0 0 101 -4,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.844 108.9 50.5 -61.2 -34.3 -10.7 -1.5 53.5 500 667 A H H X>S+ 0 0 9 -4,-2.2 5,-1.6 2,-0.2 3,-1.4 0.989 111.1 45.4 -62.2 -60.7 -8.9 -4.8 50.0 503 670 A S H ><5S+ 0 0 66 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.837 108.7 61.1 -52.5 -32.2 -7.5 -1.9 48.0 504 671 A A H 3<5S+ 0 0 8 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.862 116.3 29.6 -61.5 -37.9 -4.0 -3.4 48.6 505 672 A Y H <<5S- 0 0 18 -3,-1.4 -1,-0.2 -4,-1.2 -2,-0.2 0.201 107.6-118.1-109.9 11.3 -5.0 -6.6 46.8 506 673 A H T <<5S+ 0 0 135 -4,-0.7 3,-0.3 -3,-0.7 -3,-0.2 0.747 79.1 124.9 58.5 24.9 -7.5 -5.1 44.3 507 674 A L > < + 0 0 22 -5,-1.6 3,-1.9 -6,-0.2 -4,-0.2 0.269 31.1 113.3 -94.5 11.7 -10.3 -7.2 45.9 508 675 A T T 3 S+ 0 0 74 -6,-0.4 -1,-0.2 1,-0.3 -5,-0.1 0.893 87.5 26.7 -53.5 -51.0 -12.4 -4.1 46.6 509 676 A D T 3 S+ 0 0 170 -3,-0.3 -1,-0.3 -7,-0.1 2,-0.1 -0.212 103.0 121.8-105.3 42.3 -15.2 -5.0 44.1 510 677 A A S < S- 0 0 36 -3,-1.9 -3,-0.1 1,-0.1 -4,-0.0 -0.279 71.7 -81.4 -94.1-179.3 -14.6 -8.8 44.3 511 678 A T > - 0 0 78 1,-0.1 4,-1.5 -2,-0.1 3,-0.3 -0.675 39.0-118.5 -84.7 139.7 -16.8 -11.7 45.3 512 679 A P H > S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.795 112.6 53.5 -46.8 -36.9 -17.2 -12.3 49.1 513 680 A Q H > S+ 0 0 42 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.960 104.8 50.3 -65.6 -53.7 -15.6 -15.8 48.7 514 681 A K H 4 S+ 0 0 117 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.767 114.7 49.1 -56.8 -24.1 -12.4 -14.6 46.9 515 682 A Q H X S+ 0 0 21 -4,-1.5 4,-2.4 2,-0.2 3,-0.3 0.877 108.8 49.8 -79.7 -45.1 -12.2 -12.1 49.8 516 683 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.934 110.0 52.0 -58.6 -46.6 -12.7 -14.7 52.5 517 684 A E H X S+ 0 0 18 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.743 110.1 49.4 -63.7 -25.6 -10.0 -16.9 51.0 518 685 A T H > S+ 0 0 6 -4,-0.5 4,-2.5 -5,-0.3 -1,-0.2 0.900 112.3 45.3 -81.1 -43.1 -7.6 -14.1 50.9 519 686 A L H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.901 110.0 57.1 -63.5 -41.4 -8.2 -13.1 54.6 520 687 A F H X S+ 0 0 0 -4,-3.0 4,-1.3 -5,-0.2 -1,-0.2 0.921 110.0 45.0 -50.8 -47.0 -8.0 -16.8 55.4 521 688 A C H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.906 111.1 49.9 -69.7 -43.8 -4.5 -16.8 53.8 522 689 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.910 110.6 52.2 -60.2 -40.7 -3.3 -13.6 55.5 523 690 A S H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.827 109.3 50.8 -60.4 -33.6 -4.5 -15.0 58.8 524 691 A T H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.875 109.9 48.8 -72.1 -37.6 -2.4 -18.1 57.9 525 692 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.895 111.7 47.7 -71.2 -39.1 0.7 -16.0 57.1 526 693 A F H X S+ 0 0 2 -4,-2.5 4,-0.7 2,-0.2 23,-0.3 0.560 108.1 57.8 -79.0 -8.7 0.4 -14.1 60.4 527 694 A A H >4 S+ 0 0 0 -4,-0.4 3,-0.8 -3,-0.2 -2,-0.2 0.899 106.5 47.1 -76.3 -50.9 -0.1 -17.4 62.1 528 695 A R H >< S+ 0 0 23 -4,-2.1 3,-1.0 1,-0.3 6,-0.6 0.904 106.0 61.7 -53.3 -43.3 3.3 -18.5 60.7 529 696 A Y H 3< S+ 0 0 0 -4,-2.1 6,-2.0 1,-0.3 2,-0.5 0.840 103.6 48.2 -53.9 -39.1 4.7 -15.2 61.9 530 697 A S T << S+ 0 0 0 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.3 -0.394 95.5 99.4-102.2 54.6 3.9 -16.0 65.5 531 698 A S S X >S- 0 0 0 -3,-1.0 3,-1.9 -2,-0.5 5,-1.7 -0.958 90.1-100.7-134.6 157.0 5.4 -19.4 65.5 532 699 A S T 3 5S+ 0 0 7 -2,-0.3 -65,-0.3 5,-0.3 6,-0.1 0.810 120.0 64.4 -41.1 -37.3 8.7 -20.9 66.7 533 700 A A T 3 5S+ 0 0 21 -67,-0.1 -66,-1.9 4,-0.1 -1,-0.3 0.896 118.7 11.5 -56.0 -44.9 9.7 -20.8 63.1 534 701 A I T < 5S- 0 0 0 -3,-1.9 -67,-0.3 -6,-0.6 -4,-0.1 0.788 134.7 -19.0-104.2 -94.2 9.6 -17.0 62.8 535 702 A F T 5S+ 0 0 2 -6,-2.0 -64,-2.3 -7,-0.2 -3,-0.2 0.506 115.8 73.5-101.7 -7.5 9.2 -14.5 65.6 536 703 A G < - 0 0 0 -5,-1.7 2,-0.3 -7,-0.3 5,-0.2 -0.309 67.6-140.4 -94.7-178.9 7.9 -16.9 68.3 537 704 A T - 0 0 9 3,-1.9 -5,-0.3 -7,-0.1 -4,-0.1 -0.826 39.9 -78.5-135.6-179.7 9.6 -19.6 70.3 538 705 A E S S+ 0 0 10 -2,-0.3 -6,-0.1 1,-0.2 43,-0.1 0.744 124.2 8.1 -54.5 -31.5 8.7 -23.1 71.5 539 706 A H S S+ 0 0 116 41,-0.1 -1,-0.2 -428,-0.1 2,-0.2 0.691 119.0 65.9-122.3 -34.8 6.5 -21.9 74.4 540 707 A D - 0 0 41 40,-0.1 -3,-1.9 -8,-0.0 -68,-0.1 -0.568 57.9-175.7 -89.1 158.3 6.1 -18.1 74.1 541 708 A S - 0 0 23 -5,-0.2 5,-0.1 -2,-0.2 -5,-0.1 -0.825 36.0-100.5-162.8 116.4 4.2 -16.5 71.3 542 709 A P > - 0 0 3 0, 0.0 4,-1.1 0, 0.0 5,-0.1 -0.062 30.7-152.6 -41.9 120.6 3.6 -12.8 70.3 543 710 A P H > S+ 0 0 76 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.811 89.2 49.9 -75.2 -35.4 0.1 -12.0 71.6 544 711 A A H >> S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 3,-0.7 0.974 108.9 50.6 -66.2 -56.0 -0.7 -9.2 69.1 545 712 A L H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.758 113.9 47.0 -54.9 -28.3 0.3 -11.2 66.0 546 713 A R H 3X S+ 0 0 58 -4,-1.1 4,-1.7 2,-0.2 -1,-0.3 0.766 111.4 50.6 -81.9 -28.6 -1.9 -14.1 67.3 547 714 A G H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 3,-0.6 0.999 110.6 39.2 -58.8 -64.2 -13.0 -14.7 56.6 557 724 A W H 3< S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.7 56.1 -46.5 -47.4 -15.7 -16.7 58.3 558 725 A E H 3< S+ 0 0 99 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.857 112.1 41.8 -57.4 -38.8 -17.9 -13.6 58.4 559 726 A L H << S- 0 0 47 -4,-2.4 -2,-0.2 -3,-0.6 -1,-0.2 0.913 137.8 -4.0 -78.4 -45.8 -17.6 -13.2 54.6 560 727 A S >< - 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0 0 25 -2,-0.3 303,-0.2 1,-0.1 -9,-0.0 -0.457 19.0-155.6 -67.3 133.7 -12.1 -23.1 21.0 1023 576 B T > + 0 0 28 301,-0.5 3,-0.9 -2,-0.2 2,-0.3 0.384 65.4 110.0 -87.1 3.1 -11.4 -19.5 19.8 1024 577 B A T 3 S+ 0 0 32 300,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.649 79.2 19.7 -81.3 134.1 -10.5 -18.7 23.5 1025 578 B Q T 3 S+ 0 0 114 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.361 104.1 99.5 86.7 -2.6 -6.8 -18.1 24.1 1026 579 B I S < S- 0 0 50 -3,-0.9 -1,-0.2 3,-0.0 5,-0.0 -0.958 71.0-137.7-115.5 114.8 -6.2 -17.4 20.4 1027 580 B S > - 0 0 67 -2,-0.5 4,-1.7 1,-0.1 5,-0.2 -0.504 6.5-138.2 -75.1 135.2 -6.1 -13.6 19.6 1028 581 B P H >> S+ 0 0 38 0, 0.0 4,-3.8 0, 0.0 3,-0.8 0.952 101.0 53.4 -55.1 -57.2 -7.9 -12.6 16.4 1029 582 B V H 3> S+ 0 0 46 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.885 112.6 44.8 -45.5 -49.3 -5.2 -10.2 15.2 1030 583 B E H 3> S+ 0 0 44 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.788 116.9 46.6 -69.4 -27.6 -2.6 -12.9 15.5 1031 584 B L H S+ 0 0 35 -4,-1.7 4,-2.2 -3,-0.8 5,-0.9 0.829 109.7 51.8 -83.3 -35.2 -4.9 -15.4 13.8 1032 585 B F H X5S+ 0 0 0 -4,-3.8 4,-0.6 1,-0.2 8,-0.3 0.920 109.8 52.0 -62.9 -42.1 -6.0 -13.0 11.0 1033 586 B R H <5S+ 0 0 144 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.865 114.9 41.8 -61.6 -36.5 -2.3 -12.4 10.3 1034 587 B H H <5S- 0 0 126 -4,-1.0 -50,-0.8 -5,-0.1 -2,-0.2 0.902 135.5 -0.2 -82.1 -42.3 -1.5 -16.1 10.1 1035 588 B D H <5S+ 0 0 4 -4,-2.2 -52,-1.0 -52,-0.2 -3,-0.2 0.651 128.1 40.8-129.0 -25.3 -4.4 -17.7 8.1 1036 589 B F >X< + 0 0 6 -5,-0.9 3,-1.2 -4,-0.6 4,-0.5 -0.682 56.1 175.2-132.3 83.2 -7.0 -15.1 7.1 1037 590 B P H >> S+ 0 0 46 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.725 70.0 72.4 -62.8 -26.6 -5.3 -11.9 5.9 1038 591 B V H 3> S+ 0 0 13 -157,-0.3 4,-1.1 1,-0.3 3,-0.1 0.858 97.2 48.7 -60.0 -36.8 -8.5 -10.1 4.8 1039 592 B F H <> S+ 0 0 2 -3,-1.2 4,-1.7 1,-0.2 -1,-0.3 0.693 98.4 68.9 -80.3 -18.3 -9.6 -9.6 8.3 1040 593 B L H < S+ 0 0 4 -4,-1.1 3,-0.5 1,-0.2 4,-0.3 0.822 105.2 53.8 -67.2 -32.2 -10.4 -4.7 8.4 1043 596 B F H >< S+ 0 0 57 -4,-1.7 3,-1.5 -3,-0.2 4,-0.3 0.880 103.8 54.7 -70.4 -38.8 -9.4 -4.7 12.0 1044 597 B N T 3X S+ 0 0 62 -4,-1.4 4,-2.5 1,-0.3 3,-0.4 0.568 87.6 79.8 -73.3 -9.2 -6.9 -1.9 11.5 1045 598 B Q H <> S+ 0 0 44 -3,-0.5 4,-2.1 -4,-0.5 -1,-0.3 0.767 77.6 75.7 -64.5 -25.1 -9.8 0.2 10.0 1046 599 B Q H <4 S+ 0 0 69 -3,-1.5 -1,-0.2 -4,-0.3 4,-0.2 0.953 112.0 21.3 -46.4 -56.2 -10.6 0.7 13.7 1047 600 B A H >> S+ 0 0 35 -3,-0.4 4,-3.2 -4,-0.3 3,-0.9 0.778 115.6 71.2 -85.9 -31.0 -7.8 3.2 14.0 1048 601 B T H 3X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.3 5,-0.3 0.921 98.4 46.6 -51.9 -52.6 -7.5 4.0 10.3 1049 602 B Q H 3< S+ 0 0 58 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.675 118.9 45.4 -66.8 -15.8 -10.7 6.0 10.1 1050 603 B R H <> S+ 0 0 58 -3,-0.9 4,-3.5 -5,-0.3 5,-0.3 0.908 108.0 50.2 -91.9 -55.0 -9.6 7.8 13.2 1051 604 B R H X S+ 0 0 84 -4,-3.2 4,-0.7 2,-0.3 5,-0.2 0.901 110.6 51.4 -52.8 -46.3 -6.0 8.7 12.6 1052 605 B F H >X S+ 0 0 8 -4,-1.7 4,-2.4 -5,-0.3 3,-0.7 0.907 112.5 47.7 -57.6 -40.5 -6.8 10.2 9.2 1053 606 B G H 3> S+ 0 0 14 -4,-0.3 4,-2.3 -5,-0.3 -2,-0.3 0.952 107.5 54.6 -60.7 -49.2 -9.4 12.2 11.1 1054 607 B E H 3< S+ 0 0 50 -4,-3.5 -1,-0.2 1,-0.2 4,-0.2 0.592 112.5 45.8 -61.7 -10.0 -6.8 13.1 13.6 1055 608 B L H - 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0 0 110 -3,-0.4 -1,-0.3 1,-0.1 149,-0.1 -0.921 69.4-135.4-162.1 132.2 -17.6 7.4 -1.2 1079 632 B K S S+ 0 0 71 -2,-0.3 2,-0.3 147,-0.2 -1,-0.1 0.689 88.6 56.0 -66.1 -19.3 -15.5 7.0 -4.4 1080 633 B H - 0 0 71 -282,-0.1 2,-0.3 -281,-0.1 68,-0.2 -0.766 58.7-176.8-115.0 160.1 -17.2 10.0 -6.0 1081 634 B S - 0 0 16 66,-1.2 69,-0.1 -2,-0.3 -282,-0.1 -0.964 18.6-175.5-154.9 138.1 -17.7 13.7 -5.2 1082 635 B T + 0 0 117 -2,-0.3 2,-1.1 2,-0.1 66,-0.1 0.280 63.3 101.3-113.7 4.4 -19.5 16.6 -6.9 1083 636 B V - 0 0 71 65,-0.3 2,-0.1 -12,-0.1 -1,-0.0 -0.764 59.6-173.1 -92.9 92.6 -18.4 19.2 -4.4 1084 637 B K - 0 0 29 -2,-1.1 66,-0.2 1,-0.0 65,-0.1 -0.356 23.9-159.6 -90.1 167.5 -15.6 20.9 -6.3 1085 638 B L + 0 0 5 64,-1.3 9,-0.1 69,-0.1 64,-0.1 -0.344 58.8 102.3-144.0 54.4 -13.1 23.5 -5.2 1086 639 B I + 0 0 50 70,-0.1 69,-0.1 4,-0.1 -1,-0.1 0.498 49.9 108.7-115.7 -12.3 -11.7 25.3 -8.2 1087 640 B D S > S- 0 0 79 1,-0.1 4,-2.0 -3,-0.0 3,-0.4 -0.317 88.1-106.1 -60.9 151.9 -13.7 28.5 -8.0 1088 641 B D H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.787 117.9 62.3 -54.3 -28.0 -11.6 31.5 -7.0 1089 642 B A H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.964 105.6 40.5 -63.6 -56.8 -13.3 31.3 -3.6 1090 643 B S H > S+ 0 0 24 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.865 111.5 58.4 -62.0 -37.7 -12.0 27.8 -2.6 1091 644 B V H X S+ 0 0 50 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.901 107.7 49.0 -57.1 -41.1 -8.6 28.6 -4.1 1092 645 B S H >X S+ 0 0 77 -4,-1.8 4,-1.7 -5,-0.2 3,-0.6 0.985 113.4 43.0 -61.3 -61.4 -8.4 31.6 -1.7 1093 646 B R H 3X S+ 0 0 35 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.895 113.6 53.1 -52.3 -44.5 -9.4 29.7 1.5 1094 647 B L H 3X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.789 104.1 54.1 -67.9 -31.9 -7.2 26.7 0.6 1095 648 B A H < S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.1 4,-0.3 0.778 99.4 70.0 -94.4 -27.6 -1.8 24.9 3.3 1099 652 B D G >< S+ 0 0 94 -4,-1.8 3,-1.3 -5,-0.3 6,-0.2 0.828 93.9 58.3 -66.2 -32.6 0.9 27.4 2.5 1100 653 B P G 3 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.800 107.4 50.6 -59.6 -28.7 2.0 27.8 6.1 1101 654 B L G < S+ 0 0 27 -3,-1.0 7,-2.5 -4,-0.2 -2,-0.2 0.457 108.9 54.4 -86.3 -4.4 2.6 24.0 5.9 1102 655 B L S X S+ 0 0 19 -3,-1.3 3,-2.0 -4,-0.3 -1,-0.2 -0.333 73.0 177.0-127.5 53.1 4.6 24.5 2.7 1103 656 B P T 3 S- 0 0 61 0, 0.0 3,-0.3 0, 0.0 -4,-0.0 -0.384 78.3 -9.7 -65.0 126.5 7.3 27.0 3.6 1104 657 B E T 3 S- 0 0 119 1,-0.3 2,-0.7 -2,-0.2 3,-0.1 0.688 126.8 -69.7 57.9 18.6 9.7 27.6 0.7 1105 658 B G S < S+ 0 0 43 -3,-2.0 -1,-0.3 1,-0.3 3,-0.1 -0.514 109.5 102.4 104.4 -64.1 8.0 24.7 -0.9 1106 659 B K S S- 0 0 114 -2,-0.7 -1,-0.3 -3,-0.3 2,-0.1 -0.072 86.0 -82.8 -57.8 154.4 9.1 21.7 1.2 1107 660 B L - 0 0 22 58,-0.7 -5,-0.2 -5,-0.2 -1,-0.1 -0.364 58.6 -92.9 -62.3 132.0 6.9 20.1 3.8 1108 661 B S > - 0 0 12 -7,-2.5 4,-1.1 -3,-0.1 -1,-0.1 0.042 21.2-135.6 -44.5 145.3 6.9 22.0 7.2 1109 662 B P H > S+ 0 0 102 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.963 104.8 39.5 -66.3 -52.1 9.3 20.9 10.0 1110 663 B A H >> S+ 0 0 55 1,-0.2 3,-1.4 2,-0.2 4,-1.3 0.970 112.5 53.2 -62.3 -59.3 6.7 21.1 12.7 1111 664 B H H 3> S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.794 105.5 57.2 -49.3 -35.4 3.7 19.7 10.7 1112 665 B Y H 3X S+ 0 0 19 -4,-1.1 4,-2.2 1,-0.2 -1,-0.3 0.859 103.7 51.3 -66.5 -36.9 5.8 16.6 9.9 1113 666 B Q H S+ 0 0 6 -4,-2.2 5,-2.5 1,-0.2 6,-0.8 0.822 110.7 52.5 -61.7 -31.3 4.6 11.3 12.9 1117 670 B S H ><5S+ 0 0 71 -4,-1.0 3,-1.5 3,-0.2 -2,-0.2 0.935 101.1 58.2 -71.9 -47.2 2.7 11.8 16.2 1118 671 B A H 3<5S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.902 118.0 33.0 -45.3 -47.9 -0.7 10.9 14.8 1119 672 B Y T 3<5S- 0 0 19 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.339 106.7-121.1 -98.0 4.8 0.5 7.5 13.7 1120 673 B H T < 5S+ 0 0 125 -3,-1.5 -3,-0.2 -4,-0.3 3,-0.2 0.857 71.5 133.8 56.8 35.8 3.0 6.9 16.5 1121 674 B L > < + 0 0 30 -5,-2.5 3,-0.7 -6,-0.2 -4,-0.2 0.331 35.9 102.4 -95.2 5.0 5.8 6.6 13.9 1122 675 B T T 3 S+ 0 0 66 -6,-0.8 2,-1.4 1,-0.3 -1,-0.2 0.975 89.1 36.5 -48.2 -65.1 8.0 8.9 16.0 1123 676 B D T 3 S+ 0 0 167 -3,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.629 102.9 106.2 -89.5 76.8 10.0 6.0 17.3 1124 677 B A S < S- 0 0 34 -2,-1.4 5,-0.1 -3,-0.7 -3,-0.1 -0.990 77.9 -80.0-152.7 150.9 9.9 4.0 14.0 1125 678 B T > - 0 0 77 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.111 38.8-120.1 -49.6 144.2 12.3 3.1 11.2 1126 679 B P H > S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 48,-0.2 0.874 112.4 57.1 -51.8 -44.4 12.9 5.8 8.5 1127 680 B Q H > S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.931 106.1 47.5 -55.6 -50.2 11.6 3.4 5.8 1128 681 B K H > S+ 0 0 29 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.786 110.8 55.1 -64.3 -26.4 8.3 2.9 7.6 1129 682 B Q H X S+ 0 0 23 -4,-1.4 4,-2.0 2,-0.2 3,-0.3 0.945 109.9 44.0 -68.3 -49.7 8.2 6.7 7.9 1130 683 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.911 110.0 55.4 -60.9 -45.4 8.7 7.2 4.2 1131 684 B E H X S+ 0 0 22 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.811 107.9 51.3 -60.8 -29.3 6.1 4.6 3.2 1132 685 B T H X S+ 0 0 12 -4,-1.0 4,-3.0 -3,-0.3 3,-0.4 0.958 111.6 43.7 -73.1 -52.2 3.6 6.4 5.4 1133 686 B L H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.846 109.9 59.0 -58.7 -33.9 4.1 9.8 3.8 1134 687 B F H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.868 111.2 40.6 -66.4 -33.0 4.1 8.1 0.4 1135 688 B C H X S+ 0 0 2 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.925 110.7 55.3 -77.8 -48.0 0.6 6.7 1.1 1136 689 B L H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.849 105.0 57.6 -50.0 -35.2 -0.6 10.0 2.7 1137 690 B S H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.951 103.8 49.9 -61.2 -50.6 0.5 11.6 -0.6 1138 691 B T H X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.2 -2,-0.2 0.892 106.6 57.2 -53.3 -43.5 -1.7 9.3 -2.6 1139 692 B A H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.936 114.6 36.1 -54.2 -50.4 -4.6 10.2 -0.3 1140 693 B F H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.748 112.0 60.4 -79.2 -22.9 -4.2 13.9 -1.1 1141 694 B A H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.2 63,-0.2 0.900 109.4 44.2 -62.8 -39.6 -3.3 13.1 -4.6 1142 695 B R H < S+ 0 0 28 -4,-2.7 6,-0.6 1,-0.2 5,-0.4 0.815 105.3 62.3 -76.1 -30.4 -6.8 11.5 -4.8 1143 696 B Y H < S+ 0 0 0 -4,-1.5 6,-1.3 1,-0.2 -1,-0.2 0.870 110.0 40.7 -58.3 -38.7 -8.3 14.5 -3.0 1144 697 B S H < S+ 0 0 0 -4,-1.5 -1,-0.2 15,-0.1 -2,-0.2 0.736 95.4 107.4 -83.0 -24.2 -7.3 16.7 -5.8 1145 698 B S S >X>S- 0 0 0 -4,-1.1 5,-1.4 55,-0.3 3,-1.1 0.041 90.4-100.0 -56.0 163.2 -8.2 14.2 -8.6 1146 699 B S T 345S+ 0 0 3 51,-0.6 -347,-0.3 1,-0.2 -1,-0.2 0.277 118.3 67.6 -69.7 15.1 -11.2 14.6 -10.8 1147 700 B A T 345S+ 0 0 9 -5,-0.4 -66,-1.2 -349,-0.1 -1,-0.2 0.785 114.0 11.8-100.9 -38.4 -12.9 12.2 -8.5 1148 701 B I T <45S- 0 0 2 -3,-1.1 -65,-0.3 -6,-0.6 -4,-0.1 0.864 139.7 -4.4-107.5 -68.3 -13.2 14.1 -5.3 1149 702 B F T <5S+ 0 0 1 -6,-1.3 -64,-1.3 -4,-0.7 2,-0.3 0.177 112.3 80.5-120.6 13.7 -12.5 17.9 -5.4 1150 703 B G < - 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