==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-JAN-09 3G06 . COMPND 2 MOLECULE: SSPH2 (LEUCINE-RICH REPEAT PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR C.M.QUEZADA,C.E.STEBBINS . 601 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 0 0 2 2 1 1 0 0 0 1 0 0 0 0 1 0 1 1 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 11 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 171 A A > 0 0 106 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -40.7 -17.5 -32.2 18.1 2 172 A V H > + 0 0 65 2,-0.2 4,-1.9 3,-0.1 46,-0.2 0.806 360.0 50.7 -80.0 -35.6 -18.8 -28.8 19.4 3 173 A W H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.782 107.3 52.0 -68.2 -32.1 -16.3 -27.5 16.9 4 174 A S H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.923 108.5 49.5 -70.7 -48.8 -17.7 -29.7 14.1 5 175 A A H X S+ 0 0 56 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.908 114.7 47.4 -50.5 -43.5 -21.2 -28.5 14.7 6 176 A W H >< S+ 0 0 19 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.942 109.0 51.4 -66.9 -46.9 -19.8 -24.9 14.6 7 177 A R H >< S+ 0 0 87 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.873 112.6 47.6 -62.3 -32.6 -17.7 -25.4 11.4 8 178 A R H 3< S+ 0 0 174 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.713 98.7 66.8 -84.3 -18.9 -20.8 -26.7 9.6 9 179 A A T << S+ 0 0 73 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.386 81.3 130.9 -79.4 6.0 -23.1 -23.9 10.8 10 180 A A < - 0 0 20 -3,-0.8 5,-0.2 -4,-0.2 -3,-0.1 -0.329 68.1-118.9 -66.5 125.2 -21.0 -21.5 8.6 11 181 A P >> - 0 0 67 0, 0.0 3,-3.2 0, 0.0 4,-0.8 -0.448 46.3-106.8 -48.8 139.5 -22.3 -19.1 6.1 12 182 A A G >4 S+ 0 0 94 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.811 119.3 52.3 -51.3 -40.7 -20.7 -20.4 2.9 13 183 A E G 34 S+ 0 0 202 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.597 111.5 48.2 -69.2 -12.6 -18.1 -17.6 2.7 14 184 A E G <> S+ 0 0 12 -3,-3.2 4,-2.8 2,-0.1 -1,-0.2 0.511 84.9 93.4 -99.8 -10.1 -17.0 -18.3 6.3 15 185 A S H S+ 0 0 222 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.937 113.4 52.4 -65.2 -41.1 -12.9 -22.0 5.1 17 187 A G H > S+ 0 0 16 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.912 109.4 49.3 -61.4 -41.5 -12.3 -19.4 7.8 18 188 A R H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.887 108.6 52.9 -66.5 -36.0 -14.0 -21.6 10.4 19 189 A A H X S+ 0 0 44 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.938 108.3 51.7 -63.1 -45.7 -12.0 -24.6 9.2 20 190 A A H X S+ 0 0 42 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.856 110.1 48.3 -55.1 -37.4 -8.8 -22.6 9.8 21 191 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.930 110.3 50.6 -74.0 -45.8 -10.0 -21.6 13.3 22 192 A V H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.943 108.6 54.0 -54.3 -42.3 -10.8 -25.3 14.2 23 193 A Q H X S+ 0 0 142 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.898 109.8 47.2 -57.1 -45.4 -7.2 -26.2 12.9 24 194 A K H X S+ 0 0 80 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.851 112.2 49.0 -60.7 -43.7 -5.7 -23.6 15.3 25 195 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.896 110.3 50.7 -67.1 -43.6 -7.8 -24.9 18.2 26 196 A R H X S+ 0 0 121 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.906 106.9 55.6 -56.2 -46.2 -6.8 -28.5 17.5 27 197 A A H X S+ 0 0 42 -4,-2.0 4,-2.0 -5,-0.2 6,-0.4 0.928 109.0 47.5 -53.9 -47.0 -3.2 -27.3 17.4 28 198 A C H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.910 114.0 45.5 -57.9 -47.7 -3.6 -25.9 21.0 29 199 A L H < S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 118.2 44.2 -68.7 -33.0 -5.2 -29.0 22.3 30 200 A N H < S+ 0 0 136 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.724 125.7 25.6 -86.5 -23.9 -2.7 -31.3 20.7 31 201 A N H < S- 0 0 106 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.435 100.4-116.1-119.2 -4.8 0.7 -29.4 21.4 32 202 A G < + 0 0 48 -4,-1.5 -4,-0.2 -5,-0.3 -3,-0.1 0.407 54.5 162.6 80.9 -2.4 -0.2 -27.5 24.6 33 203 A N - 0 0 74 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.333 25.3-161.0 -44.3 121.6 0.3 -24.1 22.9 34 204 A A + 0 0 25 -3,-0.1 21,-2.8 20,-0.1 22,-2.2 0.226 61.6 86.6-103.7 11.9 -1.5 -21.7 25.1 35 205 A V E -a 56 0A 71 20,-0.2 2,-0.4 19,-0.2 22,-0.2 -0.950 52.1-177.5-109.8 123.6 -1.9 -18.8 22.6 36 206 A L E +a 57 0A 2 20,-2.7 22,-2.9 -2,-0.5 2,-0.5 -0.995 7.3 178.8-121.4 126.1 -4.9 -18.8 20.2 37 207 A N E -a 58 0A 65 -2,-0.4 22,-0.2 20,-0.2 20,-0.0 -0.982 14.7-159.4-121.7 114.5 -5.4 -16.1 17.6 38 208 A V - 0 0 1 20,-2.1 21,-0.1 -2,-0.5 5,-0.1 0.491 33.9-137.1 -77.1 -1.1 -8.6 -16.8 15.7 39 209 A G - 0 0 15 19,-0.3 2,-1.0 1,-0.1 4,-0.2 0.176 29.3 -67.5 71.7 167.6 -7.5 -14.6 12.6 40 210 A E S S+ 0 0 147 1,-0.1 22,-0.1 2,-0.1 -1,-0.1 -0.812 73.8 140.2 -89.4 95.4 -9.4 -12.1 10.6 41 211 A S S S- 0 0 34 -2,-1.0 -24,-0.2 20,-0.1 -1,-0.1 0.083 73.7-103.5-126.4 18.6 -11.8 -14.4 8.8 42 212 A G - 0 0 33 19,-0.5 20,-0.1 1,-0.2 -2,-0.1 0.785 57.0-176.2 58.6 27.6 -15.1 -12.5 8.8 43 213 A L - 0 0 0 -4,-0.2 20,-2.8 18,-0.2 -1,-0.2 -0.320 21.9-175.1 -58.0 134.7 -16.3 -14.7 11.7 44 214 A T S S+ 0 0 54 1,-0.3 21,-0.6 18,-0.1 2,-0.3 0.551 72.4 11.7-104.2 -14.6 -19.9 -14.1 12.7 45 215 A T - 0 0 63 19,-0.1 -1,-0.3 20,-0.1 22,-0.1 -0.964 66.8-140.0-151.6 157.0 -19.8 -16.5 15.7 46 216 A L - 0 0 13 -2,-0.3 4,-0.1 20,-0.2 -28,-0.0 -0.818 39.3 -92.4-110.6 158.4 -17.2 -18.4 17.6 47 217 A P - 0 0 1 0, 0.0 -44,-0.1 0, 0.0 -1,-0.1 -0.343 36.1-112.9 -65.6 163.6 -17.7 -22.0 18.8 48 218 A D S S+ 0 0 133 -46,-0.2 21,-0.5 20,-0.1 2,-0.4 0.641 98.8 44.9 -73.7 -25.3 -19.1 -22.5 22.3 49 219 A C - 0 0 64 19,-0.1 21,-0.1 22,-0.0 3,-0.0 -0.960 65.0-167.3-117.4 142.6 -16.0 -24.1 23.9 50 220 A L - 0 0 16 -2,-0.4 -2,-0.0 19,-0.2 19,-0.0 -0.814 50.5 -72.7-114.2 158.5 -12.5 -22.8 23.3 51 221 A P > - 0 0 2 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.346 47.4-134.2 -56.8 142.0 -9.5 -25.0 24.4 52 222 A A T 3 S+ 0 0 61 1,-0.2 21,-0.6 19,-0.1 22,-0.1 0.584 95.3 54.4 -83.7 -17.3 -9.4 -24.9 28.1 53 223 A H T 3 S+ 0 0 55 -20,-0.1 -1,-0.2 19,-0.1 2,-0.1 0.353 74.6 132.6 -93.8 1.7 -5.6 -24.3 28.8 54 224 A I < + 0 0 0 -3,-0.9 19,-0.3 1,-0.1 -19,-0.2 -0.355 26.8 174.8 -56.7 128.6 -5.4 -21.1 26.6 55 225 A T S S+ 0 0 47 -21,-2.8 20,-2.6 1,-0.3 21,-2.4 0.655 70.3 42.8-109.0 -26.1 -3.7 -18.2 28.5 56 226 A T E -ab 35 76A 35 -22,-2.2 -20,-2.7 19,-0.2 2,-0.5 -0.987 65.5-177.4-118.7 121.0 -3.6 -15.7 25.6 57 227 A L E -ab 36 77A 1 19,-2.6 21,-2.3 -2,-0.5 2,-0.5 -0.980 2.8-172.7-117.1 121.7 -6.7 -15.2 23.4 58 228 A V E -ab 37 78A 21 -22,-2.9 -20,-2.1 -2,-0.5 -19,-0.3 -0.967 3.9-173.5-114.3 122.6 -6.5 -12.8 20.5 59 229 A I E - b 0 79A 0 19,-3.4 21,-2.8 -2,-0.5 3,-0.2 -0.873 13.4-165.0-114.1 99.7 -9.6 -12.0 18.5 60 230 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -19,-0.1 0.055 46.3 -45.0 -75.4-171.3 -8.8 -9.8 15.5 61 231 A D S S+ 0 0 85 18,-0.1 -19,-0.5 -21,-0.1 21,-0.2 -0.371 81.8 134.2 -57.3 121.5 -11.3 -7.8 13.3 62 232 A N - 0 0 9 19,-1.8 -18,-0.1 -2,-0.2 -22,-0.1 -0.607 66.9 -96.7-146.7-154.9 -14.2 -10.0 12.7 63 233 A N + 0 0 78 -20,-2.8 2,-0.1 -2,-0.2 19,-0.1 -0.123 61.7 156.3-128.5 35.4 -18.0 -9.6 12.7 64 234 A L + 0 0 0 17,-0.2 19,-2.8 1,-0.1 -19,-0.1 -0.415 25.5 177.3 -73.7 143.7 -18.6 -11.0 16.2 65 235 A T S S+ 0 0 88 -21,-0.6 20,-0.9 1,-0.3 2,-0.3 0.611 72.8 19.6-115.9 -20.5 -21.6 -10.2 18.3 66 236 A S - 0 0 80 -22,-0.2 -1,-0.3 18,-0.2 -20,-0.2 -0.967 64.9-141.3-151.0 145.4 -20.9 -12.4 21.2 67 237 A L - 0 0 15 -2,-0.3 3,-0.1 19,-0.2 -19,-0.1 -0.900 26.8-121.2-105.7 148.7 -17.9 -14.2 22.8 68 238 A P - 0 0 16 0, 0.0 -19,-0.1 0, 0.0 -20,-0.1 -0.175 52.0 -63.5 -65.8 173.6 -18.2 -17.7 24.3 69 239 A A - 0 0 76 -21,-0.5 -19,-0.2 1,-0.1 21,-0.1 -0.314 67.7-113.9 -50.1 145.0 -17.3 -18.5 27.9 70 240 A L - 0 0 18 19,-0.4 -1,-0.1 -3,-0.1 -18,-0.0 -0.707 29.6 -91.7 -98.2 144.5 -13.6 -17.8 28.3 71 241 A P > - 0 0 5 0, 0.0 3,-1.9 0, 0.0 -19,-0.1 -0.307 39.5-128.0 -50.7 128.4 -10.9 -20.4 28.9 72 242 A P T 3 S+ 0 0 75 0, 0.0 21,-0.4 0, 0.0 -19,-0.1 0.630 104.7 53.4 -60.5 -18.4 -10.6 -20.5 32.8 73 243 A E T 3 S+ 0 0 90 -21,-0.6 -20,-0.1 -19,-0.3 -21,-0.0 0.255 78.7 145.9 -98.1 11.0 -6.7 -20.0 32.8 74 244 A L < + 0 0 0 -3,-1.9 -19,-0.2 1,-0.2 19,-0.2 -0.173 18.0 166.6 -55.3 129.4 -6.9 -16.8 30.7 75 245 A R + 0 0 97 -20,-2.6 20,-3.4 1,-0.3 21,-1.8 0.630 67.5 33.1-105.3 -35.2 -4.3 -14.2 31.4 76 246 A T E -bc 56 96A 26 -21,-2.4 -19,-2.6 19,-0.2 2,-0.4 -0.987 57.6-176.9-130.8 121.4 -4.6 -12.0 28.4 77 247 A L E +bc 57 97A 0 19,-2.1 21,-2.6 -2,-0.4 2,-0.4 -0.987 7.0 178.7-110.8 130.7 -7.7 -11.1 26.3 78 248 A E E +bc 58 98A 87 -21,-2.3 -19,-3.4 -2,-0.4 2,-0.4 -0.980 2.1 179.5-132.9 121.3 -7.2 -8.8 23.2 79 249 A V E -bc 59 99A 2 19,-2.6 21,-2.0 -2,-0.4 3,-0.1 -0.982 4.5-169.9-128.2 127.6 -10.2 -7.9 20.9 80 250 A S - 0 0 26 -21,-2.8 2,-0.2 -2,-0.4 -18,-0.1 -0.134 55.2 -24.9 -96.6-164.4 -10.2 -5.8 17.8 81 251 A G S S+ 0 0 8 -20,-0.1 -19,-1.8 -2,-0.1 2,-0.2 -0.223 81.9 125.8 -54.2 116.4 -13.0 -4.3 15.8 82 252 A N - 0 0 6 19,-0.8 -17,-0.1 18,-0.3 -19,-0.1 -0.741 67.7-100.1-149.5-173.2 -16.2 -6.4 16.2 83 253 A Q + 0 0 84 -19,-2.8 2,-0.3 -2,-0.2 19,-0.1 -0.241 58.1 153.5-114.3 42.6 -19.8 -5.8 17.2 84 254 A L - 0 0 0 1,-0.1 20,-0.8 -18,-0.1 -18,-0.2 -0.545 23.9-177.3 -73.9 134.2 -19.7 -7.0 20.8 85 255 A T S S+ 0 0 88 -20,-0.9 20,-0.5 -2,-0.3 2,-0.3 0.309 72.7 6.7-110.8 2.9 -22.3 -5.3 23.0 86 256 A S - 0 0 51 -21,-0.2 -1,-0.2 18,-0.1 -19,-0.2 -0.952 70.0-123.8-167.9 167.8 -21.0 -7.1 26.1 87 257 A L - 0 0 12 -2,-0.3 3,-0.1 19,-0.1 -21,-0.0 -0.940 29.3-110.9-118.7 148.2 -18.2 -9.3 27.3 88 258 A P - 0 0 24 0, 0.0 -19,-0.1 0, 0.0 -1,-0.1 -0.148 58.0 -66.2 -60.2 165.1 -18.5 -12.7 29.0 89 259 A V - 0 0 126 1,-0.1 -19,-0.4 19,-0.1 21,-0.1 -0.259 60.9-119.3 -44.1 135.6 -17.5 -13.2 32.7 90 260 A L - 0 0 11 19,-0.4 -1,-0.1 -3,-0.1 -21,-0.0 -0.749 25.4-108.0 -94.0 131.2 -13.8 -12.6 32.9 91 261 A P > - 0 0 8 0, 0.0 3,-2.3 0, 0.0 -18,-0.1 -0.286 29.7-117.2 -54.5 134.1 -11.6 -15.4 34.2 92 262 A P T 3 S+ 0 0 107 0, 0.0 21,-0.5 0, 0.0 20,-0.1 0.681 110.4 51.5 -48.0 -33.7 -10.2 -14.8 37.8 93 263 A G T 3 S+ 0 0 21 -21,-0.4 -20,-0.1 -19,-0.2 2,-0.0 0.259 75.2 138.3 -93.4 8.8 -6.6 -14.7 36.7 94 264 A L < + 0 0 0 -3,-2.3 -19,-0.2 1,-0.1 -18,-0.2 -0.322 22.7 174.0 -57.4 136.6 -6.9 -12.2 33.9 95 265 A L + 0 0 75 -20,-3.4 20,-2.9 1,-0.3 21,-1.8 0.683 63.4 30.9-115.6 -33.8 -4.0 -9.7 33.8 96 266 A E E -cd 76 116A 83 -21,-1.8 -19,-2.1 19,-0.2 2,-0.4 -0.999 58.6-172.6-135.5 134.1 -4.5 -7.6 30.7 97 267 A L E +cd 77 117A 1 19,-2.4 21,-3.0 -2,-0.4 2,-0.4 -0.991 8.3 176.6-127.0 116.0 -7.8 -6.7 29.0 98 268 A S E +cd 78 118A 27 -21,-2.6 -19,-2.6 -2,-0.4 2,-0.4 -0.988 5.8 163.8-120.4 129.9 -7.8 -5.0 25.6 99 269 A I E +c 79 0A 1 19,-2.3 2,-0.4 -2,-0.4 -19,-0.2 -0.984 9.2 178.1-143.1 131.2 -10.8 -4.1 23.6 100 270 A F + 0 0 99 -21,-2.0 -18,-0.3 -2,-0.4 21,-0.2 -0.971 56.0 3.2-132.8 138.6 -10.9 -1.7 20.7 101 271 A S S S+ 0 0 61 20,-1.1 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< S+ 0 0 162 -3,-1.4 2,-0.7 -4,-0.4 -1,-0.3 0.420 87.3 106.1 -92.4 -6.3 -25.3 27.3 3.5 343 523 A E S X S- 0 0 61 -3,-2.2 3,-1.3 -4,-0.2 4,-0.1 -0.725 89.0 -82.2 -80.1 116.1 -22.5 26.1 1.3 344 524 A D T 3 S+ 0 0 141 -2,-0.7 -1,-0.1 1,-0.3 46,-0.1 0.361 113.3 13.2 9.5 124.4 -19.6 24.6 3.3 345 525 A N T 3> S+ 0 0 68 1,-0.1 4,-2.0 -3,-0.1 -1,-0.3 0.515 83.9 130.8 57.7 8.8 -17.0 27.2 4.7 346 526 A A H <> + 0 0 4 -3,-1.3 4,-1.8 1,-0.2 -2,-0.1 0.828 69.9 52.6 -58.6 -35.9 -19.4 30.1 4.0 347 527 A D H > S+ 0 0 102 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.937 105.2 54.0 -60.8 -53.5 -18.9 31.4 7.6 348 528 A A H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 113.9 42.9 -44.9 -52.6 -15.1 31.4 7.2 349 529 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.780 110.4 55.5 -68.1 -34.3 -15.6 33.6 4.1 350 530 A S H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.941 109.9 45.9 -60.9 -49.7 -18.2 35.7 5.7 351 531 A L H X S+ 0 0 21 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.920 110.9 55.9 -55.8 -46.7 -15.8 36.5 8.6 352 532 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.884 105.1 50.1 -52.6 -48.4 -13.1 37.2 5.9 353 533 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.897 109.3 51.3 -65.2 -35.3 -15.1 39.7 4.1 354 534 A D H >< S+ 0 0 29 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.944 110.3 50.1 -66.2 -43.9 -15.9 41.7 7.3 355 535 A R H >< S+ 0 0 51 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.798 100.5 65.3 -59.8 -30.1 -12.2 41.7 8.1 356 536 A L H >< S+ 0 0 0 -4,-1.4 3,-0.9 1,-0.3 6,-0.4 0.789 91.7 62.7 -69.5 -25.1 -11.4 43.0 4.6 357 537 A S T << S+ 0 0 45 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.454 99.4 56.4 -77.6 1.2 -13.2 46.3 5.4 358 538 A E T < S+ 0 0 123 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 -0.060 87.3 107.0-120.0 29.3 -10.6 47.0 8.1 359 539 A T S <> S- 0 0 0 -3,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.720 81.9-111.8-111.8 159.8 -7.5 46.8 6.0 360 540 A E H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.814 118.1 57.3 -57.7 -38.8 -5.2 49.4 4.7 361 541 A N H > S+ 0 0 0 123,-0.3 4,-2.2 2,-0.2 7,-0.3 0.950 108.5 47.4 -58.5 -46.4 -6.4 48.8 1.1 362 542 A F H 4 S+ 0 0 91 -6,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.969 116.3 44.1 -59.4 -51.6 -9.9 49.6 2.3 363 543 A I H < S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 126.8 28.1 -53.4 -46.1 -8.7 52.8 4.1 364 544 A K H < S+ 0 0 121 -4,-2.9 2,-0.6 -5,-0.2 -2,-0.2 0.524 107.5 65.8-104.9 -9.0 -6.4 54.0 1.3 365 545 A D >< - 0 0 48 -4,-2.2 3,-2.0 -5,-0.2 4,-0.3 -0.894 53.3-168.0-123.4 101.3 -7.7 52.8 -2.1 366 546 A A T > S+ 0 0 109 -2,-0.6 3,-0.5 1,-0.3 4,-0.3 0.776 90.0 59.1 -59.1 -26.6 -11.1 54.3 -3.1 367 547 A G T 3> S+ 0 0 38 1,-0.2 4,-1.9 2,-0.1 3,-0.5 0.584 80.9 89.1 -72.8 -8.8 -11.3 51.6 -5.9 368 548 A F H <> S+ 0 0 0 -3,-2.0 4,-1.8 -7,-0.3 5,-0.2 0.809 79.8 56.2 -67.7 -34.4 -11.0 48.7 -3.5 369 549 A K H <> S+ 0 0 99 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.3 0.927 110.1 46.5 -64.4 -36.0 -14.7 48.3 -2.9 370 550 A A H > S+ 0 0 60 -3,-0.5 4,-2.4 -4,-0.3 -2,-0.2 0.879 109.3 51.8 -77.0 -36.7 -15.4 47.9 -6.6 371 551 A Q H X S+ 0 0 62 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.888 111.0 48.6 -68.3 -35.9 -12.6 45.4 -7.3 372 552 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.883 110.4 53.4 -69.2 -36.1 -13.9 43.2 -4.4 373 553 A S H X S+ 0 0 10 -4,-1.8 4,-2.2 -44,-0.2 -2,-0.2 0.896 107.7 49.2 -62.2 -45.9 -17.4 43.5 -6.0 374 554 A S H X S+ 0 0 68 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.932 114.6 46.1 -57.6 -46.9 -16.2 42.3 -9.4 375 555 A W H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.906 109.1 52.9 -66.2 -44.3 -14.5 39.4 -7.8 376 556 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.937 110.1 51.1 -57.3 -37.3 -17.5 38.6 -5.6 377 557 A A H X S+ 0 0 45 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.789 108.6 49.6 -68.6 -33.7 -19.6 38.6 -8.9 378 558 A Q H >< S+ 0 0 88 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.868 109.8 52.8 -69.9 -37.7 -17.1 36.2 -10.6 379 559 A L H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 7,-0.3 0.850 101.4 59.5 -62.9 -37.3 -17.4 34.0 -7.5 380 560 A A H 3< S+ 0 0 9 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.787 106.4 48.7 -65.9 -25.6 -21.2 33.9 -7.8 381 561 A E T << S+ 0 0 141 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.2 0.338 105.8 57.0 -95.8 9.3 -21.0 32.4 -11.3 382 562 A D <> - 0 0 21 -3,-1.3 4,-2.7 -4,-0.1 -1,-0.2 -0.825 54.4-174.2-151.5 101.4 -18.5 29.6 -10.6 383 563 A E H > S+ 0 0 149 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.813 87.4 53.9 -72.4 -36.2 -19.2 27.0 -8.0 384 564 A A H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 113.8 41.5 -58.9 -51.6 -15.9 25.3 -8.3 385 565 A L H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.896 113.4 53.8 -63.9 -46.3 -14.0 28.5 -7.8 386 566 A R H X S+ 0 0 14 -4,-2.7 4,-2.7 -7,-0.3 5,-0.2 0.908 107.2 50.6 -57.3 -47.8 -16.3 29.7 -5.0 387 567 A A H X S+ 0 0 57 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.906 113.4 45.7 -55.4 -45.1 -15.9 26.4 -3.1 388 568 A N H X S+ 0 0 91 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.869 113.9 49.2 -66.9 -38.0 -12.0 26.8 -3.3 389 569 A T H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.907 110.6 48.4 -66.7 -47.7 -12.2 30.4 -2.4 390 570 A F H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.905 110.5 53.1 -57.9 -45.1 -14.4 29.9 0.7 391 571 A A H >< S+ 0 0 42 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.826 102.9 58.2 -59.6 -36.1 -12.2 27.1 1.8 392 572 A M H >< S+ 0 0 46 -4,-1.2 3,-1.1 1,-0.2 -1,-0.2 0.829 91.5 69.0 -67.1 -31.7 -9.2 29.4 1.6 393 573 A A T 4 S+ 0 0 0 -3,-0.3 3,-0.8 -2,-0.3 -2,-0.1 -0.661 93.4 63.6 -98.6 4.7 -7.0 34.6 6.7 397 577 A T T 3< S+ 0 0 36 -4,-0.8 -2,-0.1 1,-0.3 -3,-0.1 0.545 79.9 85.1 -82.5 -5.6 -9.0 35.3 9.8 398 578 A S T 3 S+ 0 0 30 5,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.429 99.0 6.7 -70.9 -5.8 -6.3 33.9 12.2 399 579 A S S < S- 0 0 10 -3,-0.8 2,-0.0 1,-0.3 -87,-0.0 -0.492 93.7 -32.4-153.7-149.5 -4.3 37.1 12.4 400 580 A C >> - 0 0 10 -2,-0.2 4,-1.7 1,-0.0 3,-0.7 -0.177 67.0 -83.4 -86.8-179.9 -3.8 40.7 11.6 401 581 A E H 3> S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.848 125.8 55.1 -45.7 -46.9 -4.9 42.9 8.7 402 582 A D H 3> S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.827 103.4 53.9 -68.8 -29.6 -1.8 41.8 6.6 403 583 A R H <> S+ 0 0 45 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.905 109.8 48.5 -68.9 -39.6 -2.6 38.1 6.9 404 584 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.914 113.0 48.3 -59.8 -45.0 -6.1 38.8 5.6 405 585 A T H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.930 110.2 51.4 -64.6 -44.5 -4.5 40.9 2.7 406 586 A F H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.918 108.6 50.5 -56.6 -46.6 -2.1 38.1 2.0 407 587 A F H X S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.848 105.1 57.7 -64.4 -28.2 -4.9 35.5 1.8 408 588 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.914 106.7 49.2 -62.1 -44.1 -6.7 37.9 -0.6 409 589 A H H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.908 110.8 49.8 -61.3 -43.4 -3.6 37.7 -2.9 410 590 A Q H X S+ 0 0 34 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.890 110.4 50.2 -65.1 -38.1 -3.7 33.8 -2.6 411 591 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.853 110.4 49.3 -64.7 -38.6 -7.4 33.8 -3.5 412 592 A K H X S+ 0 0 31 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.821 109.5 51.8 -70.8 -37.8 -6.8 36.0 -6.5 413 593 A N H X S+ 0 0 39 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.922 109.6 50.7 -58.1 -49.1 -3.8 33.6 -7.6 414 594 A V H X S+ 0 0 44 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.943 108.9 52.3 -57.6 -44.3 -6.3 30.6 -7.3 415 595 A Q H X S+ 0 0 14 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.896 108.1 49.2 -61.3 -43.6 -8.8 32.5 -9.4 416 596 A L H X S+ 0 0 23 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.914 113.0 46.3 -62.6 -48.2 -6.2 33.2 -12.3 417 597 A V H X S+ 0 0 31 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.940 113.4 51.7 -55.4 -46.6 -5.1 29.5 -12.4 418 598 A H H X S+ 0 0 22 -4,-2.9 4,-3.4 -5,-0.3 -2,-0.2 0.932 108.8 48.7 -55.6 -53.0 -8.7 28.5 -12.3 419 599 A N H X>S+ 0 0 18 -4,-2.8 5,-2.2 2,-0.2 4,-1.6 0.887 114.1 46.3 -55.2 -46.3 -9.7 30.9 -15.2 420 600 A A H <5S+ 0 0 0 -4,-2.2 5,-0.3 2,-0.2 3,-0.3 0.953 115.3 46.5 -59.2 -54.0 -6.7 29.5 -17.3 421 601 A E H <5S+ 0 0 65 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.903 112.1 51.2 -55.7 -50.9 -7.6 25.9 -16.5 422 602 A K H <5S- 0 0 127 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.783 120.3-102.8 -58.9 -34.3 -11.3 26.4 -17.2 423 603 A G T ><5S+ 0 0 22 -4,-1.6 3,-1.8 -3,-0.3 4,-0.3 0.455 77.3 132.7 121.1 5.4 -10.8 28.0 -20.7 424 604 A Q T 3 S+ 0 0 21 -6,-0.5 3,-1.3 -5,-0.3 7,-0.3 0.223 78.2 110.1-111.4 16.8 -8.1 32.4 -22.1 426 606 A D T < S+ 0 0 16 -3,-1.8 3,-0.2 1,-0.3 -1,-0.2 0.780 94.4 32.9 -62.2 -22.8 -8.3 29.8 -24.9 427 607 A N T 3 S+ 0 0 161 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.202 116.1 59.4-117.2 15.2 -9.0 32.6 -27.4 428 608 A D <> + 0 0 86 -3,-1.3 4,-1.7 1,-0.1 3,-0.2 -0.662 60.2 165.2-138.0 75.0 -6.9 35.2 -25.6 429 609 A L H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.757 73.9 60.5 -73.3 -23.4 -3.4 33.6 -25.6 430 610 A A H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 108.2 48.3 -66.1 -38.2 -1.6 36.8 -24.7 431 611 A A H > S+ 0 0 20 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.876 110.5 51.3 -63.7 -37.7 -3.8 36.7 -21.5 432 612 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 -7,-0.3 -2,-0.2 0.929 112.4 44.0 -63.6 -43.9 -2.8 33.1 -21.1 433 613 A V H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.894 111.6 54.6 -70.3 -39.5 0.9 33.9 -21.4 434 614 A A H X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.889 108.4 48.6 -59.2 -41.1 0.5 36.9 -19.1 435 615 A T H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.934 110.2 53.3 -65.6 -41.3 -1.1 34.8 -16.4 436 616 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.912 109.2 47.0 -59.7 -47.0 1.7 32.3 -16.8 437 617 A R H X S+ 0 0 46 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.872 111.1 52.2 -61.1 -38.8 4.4 34.9 -16.3 438 618 A E H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.912 111.1 46.5 -65.8 -41.1 2.6 36.2 -13.3 439 619 A M H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.859 110.1 54.1 -65.3 -40.6 2.4 32.8 -11.7 440 620 A F H X S+ 0 0 7 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.938 111.7 45.1 -58.0 -45.6 6.1 32.2 -12.5 441 621 A R H X S+ 0 0 48 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 112.3 49.2 -67.5 -45.6 7.0 35.4 -10.7 442 622 A L H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.883 110.2 52.6 -57.4 -45.3 4.8 34.8 -7.7 443 623 A G H X S+ 0 0 30 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.907 109.1 49.2 -56.8 -46.3 6.3 31.3 -7.4 444 624 A K H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.868 109.5 52.5 -61.1 -40.7 9.8 32.7 -7.5 445 625 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.875 104.5 56.5 -61.0 -37.0 8.8 35.3 -4.8 446 626 A E H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.953 110.7 43.5 -59.2 -45.3 7.5 32.4 -2.6 447 627 A Q H X S+ 0 0 114 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.879 113.5 51.0 -68.7 -41.6 10.9 30.8 -2.7 448 628 A I H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.899 111.5 48.4 -61.5 -36.4 12.7 34.1 -2.2 449 629 A A H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.910 109.2 52.3 -73.8 -37.0 10.6 34.8 0.9 450 630 A R H X S+ 0 0 102 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.909 110.4 49.2 -61.8 -43.3 11.2 31.3 2.3 451 631 A E H X S+ 0 0 105 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.919 111.1 48.4 -59.8 -48.2 14.9 31.9 1.9 452 632 A K H >< S+ 0 0 31 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.915 106.3 58.1 -60.3 -42.7 14.7 35.3 3.6 453 633 A V H >< S+ 0 0 28 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.919 99.8 58.7 -50.4 -47.2 12.6 33.8 6.5 454 634 A R H 3< S+ 0 0 152 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.712 102.1 55.2 -58.7 -18.5 15.5 31.3 7.2 455 635 A T T << S+ 0 0 95 -3,-1.4 2,-0.5 -4,-0.5 -1,-0.3 0.556 92.6 88.5 -90.3 -5.1 17.8 34.2 7.8 456 636 A L < - 0 0 31 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