==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 29-JAN-98 1A35 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.R.REDINBO,L.STEWART,P.KUHN,J.J.CHAMPOUX,W.G.HOL . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 26 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 0 2 0 0 0 0 4 1 0 0 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 215 A I 0 0 131 0, 0.0 194,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.9 14.9 -18.7 30.4 2 216 A K - 0 0 57 192,-2.9 2,-0.3 1,-0.4 193,-0.1 0.487 360.0 -6.0-118.7 -16.0 16.0 -17.6 26.9 3 217 A W - 0 0 10 191,-0.6 -1,-0.4 1,-0.1 3,-0.1 -0.928 43.3-146.7-174.4 155.0 17.6 -20.8 25.5 4 218 A K S S+ 0 0 115 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.758 89.8 29.7-101.9 -30.9 18.6 -24.3 26.6 5 219 A F + 0 0 46 168,-0.1 125,-2.8 169,-0.1 -1,-0.3 -0.967 62.8 173.0-130.9 144.9 21.6 -24.6 24.4 6 220 A L E +A 129 0A 0 -2,-0.4 167,-1.9 123,-0.3 2,-0.4 -0.873 3.8 164.2-155.7 120.2 24.0 -22.0 23.1 7 221 A E E +A 128 0A 50 121,-3.4 121,-3.2 -2,-0.3 2,-0.3 -0.986 10.2 151.4-137.9 142.9 27.3 -22.4 21.2 8 222 A H E -A 127 0A 10 169,-0.5 119,-0.1 -2,-0.4 116,-0.1 -0.986 49.0-112.6-162.9 170.0 29.3 -19.9 19.3 9 223 A K - 0 0 117 117,-0.5 118,-0.1 -2,-0.3 115,-0.1 0.519 56.1-127.6 -89.1 -5.1 32.7 -18.8 18.1 10 224 A G - 0 0 5 161,-0.1 -1,-0.2 114,-0.1 190,-0.1 -0.174 44.8 -33.5 82.7 175.9 33.1 -15.6 20.1 11 225 A P - 0 0 8 0, 0.0 2,-0.6 0, 0.0 129,-0.2 -0.196 50.4-124.9 -69.8 158.3 33.9 -12.0 18.9 12 226 A V B -c 140 0B 24 127,-2.3 129,-2.9 112,-0.1 2,-0.1 -0.918 32.4-132.8-106.0 122.1 36.2 -11.1 16.1 13 227 A F - 0 0 50 -2,-0.6 151,-0.1 127,-0.2 129,-0.0 -0.448 25.0 -93.5 -77.9 151.3 38.9 -8.7 17.3 14 228 A A - 0 0 18 149,-0.2 -1,-0.1 128,-0.2 3,-0.1 -0.201 49.2 -94.1 -60.0 147.7 39.9 -5.4 15.6 15 229 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.347 47.3-104.5 -61.4 146.4 42.8 -5.5 13.2 16 230 A P - 0 0 100 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.463 46.3 -90.7 -71.7 153.4 46.0 -4.6 14.8 17 231 A Y - 0 0 47 -2,-0.1 24,-0.0 -3,-0.1 -3,-0.0 -0.376 35.6-143.6 -63.7 133.5 47.2 -1.1 14.0 18 232 A E - 0 0 153 -2,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.895 22.4-121.0-105.3 118.3 49.5 -0.9 11.0 19 233 A P - 0 0 81 0, 0.0 -1,-0.0 0, 0.0 22,-0.0 -0.122 30.7 -97.0 -53.7 149.1 52.3 1.7 11.4 20 234 A L - 0 0 14 1,-0.1 21,-0.0 17,-0.1 71,-0.0 -0.229 41.4 -97.7 -69.3 152.6 52.7 4.6 9.0 21 235 A P - 0 0 34 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.265 27.9-120.5 -66.5 154.7 55.1 4.6 6.1 22 236 A E S S+ 0 0 154 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.797 115.1 57.7 -66.1 -29.8 58.5 6.2 6.6 23 237 A N S S+ 0 0 126 1,-0.1 2,-0.7 2,-0.1 -1,-0.2 0.839 90.8 79.7 -72.8 -27.5 57.6 8.5 3.8 24 238 A V S S- 0 0 15 -3,-0.2 2,-0.2 67,-0.0 -1,-0.1 -0.686 71.2-173.1 -86.1 114.1 54.5 9.8 5.6 25 239 A K - 0 0 77 -2,-0.7 66,-0.4 9,-0.1 2,-0.4 -0.678 24.1-137.9-114.7 161.3 55.5 12.4 8.2 26 240 A F - 0 0 6 7,-0.3 7,-2.1 -2,-0.2 2,-0.4 -0.931 19.1-154.0-113.7 134.0 54.0 14.4 11.0 27 241 A Y E -DE 32 87C 65 60,-1.5 60,-3.0 -2,-0.4 2,-0.4 -0.871 11.0-175.9-114.6 135.8 54.9 18.1 11.5 28 242 A Y E > S-DE 31 86C 14 3,-3.3 3,-2.0 -2,-0.4 58,-0.2 -0.960 78.4 -18.7-129.5 119.2 54.9 20.1 14.7 29 243 A D T 3 S- 0 0 106 56,-2.4 57,-0.1 -2,-0.4 -1,-0.1 0.917 130.1 -51.2 53.0 45.8 55.7 23.8 14.7 30 244 A G T 3 S+ 0 0 71 55,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.195 119.4 106.3 81.2 -19.6 57.3 23.3 11.3 31 245 A K E < S-D 28 0C 158 -3,-2.0 -3,-3.3 1,-0.1 -1,-0.2 -0.607 71.7-115.4 -93.0 154.5 59.5 20.4 12.4 32 246 A V E -D 27 0C 66 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.526 29.6-165.2 -81.1 158.2 59.1 16.7 11.6 33 247 A M - 0 0 28 -7,-2.1 2,-1.5 -2,-0.2 -7,-0.3 -0.854 20.1-147.5-152.6 112.0 58.3 14.3 14.4 34 248 A K - 0 0 187 -2,-0.3 6,-0.1 -9,-0.1 -9,-0.1 -0.630 33.3-148.2 -77.9 93.3 58.5 10.5 14.4 35 249 A L - 0 0 11 -2,-1.5 5,-0.1 1,-0.1 -2,-0.0 -0.314 20.4-100.5 -66.6 140.9 55.6 9.9 16.9 36 250 A S > - 0 0 23 1,-0.1 4,-2.8 3,-0.1 3,-0.3 -0.186 41.9-104.2 -52.9 150.7 55.7 6.8 19.2 37 251 A P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.853 122.1 47.3 -50.3 -37.7 53.5 4.0 17.8 38 252 A K H > S+ 0 0 83 2,-0.2 4,-1.6 1,-0.2 34,-0.1 0.856 116.6 42.2 -74.1 -36.2 50.8 4.7 20.4 39 253 A A H > S+ 0 0 0 -3,-0.3 4,-1.5 32,-0.2 -1,-0.2 0.738 113.7 54.5 -79.6 -25.7 50.8 8.5 19.8 40 254 A E H X S+ 0 0 33 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.918 106.7 51.7 -72.6 -40.1 51.1 7.8 16.1 41 255 A E H X S+ 0 0 21 -4,-2.1 4,-1.6 -5,-0.3 3,-0.4 0.949 109.8 46.3 -61.2 -52.2 48.0 5.6 16.2 42 256 A V H X S+ 0 0 3 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.895 109.1 56.4 -56.8 -41.6 45.8 8.2 18.0 43 257 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.861 103.6 54.9 -59.1 -37.2 47.0 10.9 15.6 44 258 A T H X S+ 0 0 3 -4,-1.7 4,-2.9 -3,-0.4 -1,-0.2 0.882 100.3 58.0 -65.8 -37.9 45.8 8.8 12.7 45 259 A F H < S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.937 111.6 43.5 -55.9 -45.5 42.3 8.5 14.2 46 260 A F H >< S+ 0 0 4 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.881 111.2 54.2 -65.2 -44.7 42.3 12.3 14.1 47 261 A A H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.3 4,-0.2 0.909 101.9 55.9 -57.6 -47.7 43.8 12.4 10.6 48 262 A K T 3< S+ 0 0 121 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.507 111.2 49.0 -65.1 -1.7 41.2 10.2 9.0 49 263 A M T X S+ 0 0 15 -3,-1.2 3,-2.3 -5,-0.2 6,-0.6 0.392 75.3 101.2-117.8 3.2 38.6 12.7 10.4 50 264 A L T < S+ 0 0 54 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.582 81.9 57.5 -62.9 -14.5 40.1 15.9 9.2 51 265 A D T 3 S+ 0 0 117 -4,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.186 97.8 91.3 -97.9 11.9 37.6 15.9 6.4 52 266 A H S X S- 0 0 66 -3,-2.3 3,-1.9 1,-0.1 4,-0.3 -0.894 81.1-127.1-118.6 144.3 34.9 15.8 9.0 53 267 A E G >> S+ 0 0 59 -2,-0.4 3,-1.3 1,-0.3 4,-0.7 0.703 104.7 73.2 -49.1 -29.1 32.8 18.4 11.0 54 268 A Y G >4 S+ 0 0 27 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.885 89.8 56.2 -56.9 -41.5 33.9 16.6 14.1 55 269 A T G <4 S+ 0 0 6 -3,-1.9 -1,-0.3 -6,-0.6 -2,-0.2 0.497 102.2 57.4 -72.5 -3.5 37.4 18.1 13.9 56 270 A T G <4 S+ 0 0 99 -3,-1.3 2,-0.2 -4,-0.3 -1,-0.2 0.654 84.7 95.6 -98.2 -18.0 36.0 21.6 13.7 57 271 A K S S+ 0 0 136 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.761 99.0 56.6 -70.3 -22.0 36.2 22.7 20.0 59 273 A I H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.903 108.4 47.4 -73.5 -40.7 34.9 20.0 22.3 60 274 A F H > S+ 0 0 0 -6,-0.3 4,-3.5 2,-0.2 5,-0.2 0.935 112.1 49.1 -63.1 -50.4 36.2 17.3 20.1 61 275 A R H X S+ 0 0 62 -4,-1.9 4,-2.9 -7,-0.2 -1,-0.2 0.872 114.4 44.9 -59.0 -43.3 39.6 18.9 19.6 62 276 A K H X S+ 0 0 58 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.867 116.3 45.4 -71.4 -41.1 40.1 19.5 23.3 63 277 A N H X S+ 0 0 25 -4,-2.3 4,-2.3 93,-0.2 96,-0.3 0.949 117.2 45.1 -66.9 -46.3 39.0 16.0 24.2 64 278 A F H X S+ 0 0 0 -4,-3.5 4,-2.1 -5,-0.2 -2,-0.2 0.932 113.4 49.9 -60.5 -51.5 41.0 14.5 21.5 65 279 A F H X S+ 0 0 29 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.933 112.1 46.7 -55.1 -50.0 44.1 16.6 22.4 66 280 A K H X S+ 0 0 76 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.943 115.1 45.5 -56.6 -52.3 44.0 15.8 26.1 67 281 A D H < S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 108.7 57.3 -63.7 -31.8 43.5 12.0 25.5 68 282 A W H >X S+ 0 0 0 -4,-2.1 3,-2.4 -5,-0.2 4,-1.0 0.958 104.3 52.1 -65.2 -49.0 46.2 12.0 22.9 69 283 A R H >< S+ 0 0 62 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.900 96.6 66.3 -54.6 -42.9 48.7 13.4 25.4 70 284 A K T 3< S+ 0 0 126 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.594 108.1 43.6 -55.6 -8.2 47.9 10.7 27.9 71 285 A E T <4 S+ 0 0 59 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.633 93.5 98.6-108.7 -25.7 49.4 8.4 25.3 72 286 A M S << S- 0 0 9 -4,-1.0 2,-0.1 -3,-1.0 -37,-0.0 -0.058 79.4-102.3 -61.1 164.6 52.5 10.3 24.3 73 287 A T >> - 0 0 60 1,-0.1 4,-1.6 -37,-0.0 3,-0.7 -0.427 42.9 -98.0 -79.3 164.5 56.0 9.7 25.6 74 288 A N T 34 S+ 0 0 127 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.800 126.6 53.9 -55.6 -26.0 57.2 12.1 28.3 75 289 A E T 3> S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.792 102.4 52.8 -77.6 -37.0 59.1 13.9 25.5 76 290 A E H <> S+ 0 0 14 -3,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.836 105.3 57.7 -69.5 -30.3 56.1 14.4 23.2 77 291 A K H < S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.761 107.0 48.2 -68.5 -27.9 54.2 16.0 26.1 78 292 A N H 4 S+ 0 0 135 -4,-0.5 -2,-0.2 -3,-0.2 -1,-0.2 0.886 123.7 31.2 -79.9 -39.1 57.0 18.5 26.4 79 293 A I H < S+ 0 0 89 -4,-1.8 2,-1.8 1,-0.2 3,-0.2 0.979 109.8 59.7 -82.2 -66.9 57.0 19.3 22.7 80 294 A I < + 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 3,-0.1 -0.430 59.4 135.6 -69.9 85.5 53.5 18.9 21.4 81 295 A T + 0 0 86 -2,-1.8 2,-0.5 1,-0.2 -1,-0.2 0.594 58.5 56.2-110.2 -5.4 51.7 21.4 23.5 82 296 A N > - 0 0 57 -3,-0.2 3,-1.6 1,-0.2 4,-0.2 -0.965 56.0-161.6-134.8 116.8 49.5 23.1 20.9 83 297 A L G > S+ 0 0 20 -2,-0.5 3,-2.8 1,-0.3 -1,-0.2 0.918 95.7 64.2 -56.6 -41.2 47.0 21.3 18.6 84 298 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.0 -55,-0.0 0.625 101.2 53.1 -59.0 -14.5 47.1 24.4 16.3 85 299 A K G < S+ 0 0 86 -3,-1.6 -56,-2.4 -56,-0.1 -55,-0.4 0.447 87.5 98.2-102.1 -1.0 50.8 23.6 15.7 86 300 A C E < -E 28 0C 17 -3,-2.8 2,-0.6 -4,-0.2 -58,-0.2 -0.702 58.9-154.3 -89.3 138.2 50.2 20.0 14.7 87 301 A D E +E 27 0C 58 -60,-3.0 -60,-1.5 -2,-0.3 4,-0.2 -0.935 24.6 162.7-116.2 106.5 50.2 19.1 11.0 88 302 A F > + 0 0 10 -2,-0.6 4,-2.6 -62,-0.1 5,-0.1 0.169 47.6 103.5-102.0 10.0 48.2 16.0 10.2 89 303 A T H > S+ 0 0 70 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.915 78.3 45.7 -61.3 -51.6 47.9 16.8 6.4 90 304 A Q H > S+ 0 0 79 -65,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.948 119.3 44.8 -54.4 -50.1 50.5 14.4 4.9 91 305 A M H > S+ 0 0 2 -66,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.886 111.9 53.3 -58.0 -44.8 49.1 11.7 7.1 92 306 A S H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.905 108.2 50.0 -60.4 -44.2 45.5 12.8 6.2 93 307 A Q H X S+ 0 0 98 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.813 102.5 61.3 -66.1 -34.4 46.3 12.6 2.5 94 308 A Y H X S+ 0 0 71 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.904 108.8 41.1 -60.7 -46.8 47.8 9.0 2.8 95 309 A F H X S+ 0 0 30 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.890 112.4 54.4 -68.2 -41.4 44.5 7.6 4.1 96 310 A K H X S+ 0 0 82 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.874 110.7 49.0 -55.3 -41.6 42.5 9.6 1.6 97 311 A A H >X S+ 0 0 46 -4,-2.1 4,-2.8 2,-0.2 3,-0.7 0.993 107.4 53.4 -60.4 -58.4 44.7 8.0 -1.0 98 312 A Q H 3< S+ 0 0 78 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.834 105.7 54.4 -46.5 -42.8 44.2 4.6 0.5 99 313 A T H >X S+ 0 0 57 -4,-2.8 4,-2.0 1,-0.2 3,-1.5 0.942 111.1 44.3 -59.1 -46.9 40.5 5.0 0.2 100 314 A E H - 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0 0 45 -3,-1.7 -1,-0.2 4,-0.1 -3,-0.0 -0.686 55.8-129.7-103.2 152.6 9.9 28.5 38.2 345 559 A Q > - 0 0 108 -2,-0.3 3,-2.9 -3,-0.1 -50,-0.3 -0.621 33.7-103.6 -93.5 157.9 13.0 29.5 36.4 346 560 A P T 3 S+ 0 0 61 0, 0.0 -50,-2.1 0, 0.0 -49,-0.2 0.830 123.5 52.6 -48.2 -39.1 13.7 28.6 32.7 347 561 A E T 3 S+ 0 0 123 -52,-0.2 2,-0.1 -53,-0.1 -3,-0.0 0.376 91.7 107.6 -78.3 -1.8 16.0 25.8 33.8 348 562 A D S < S- 0 0 60 -3,-2.9 -53,-3.3 1,-0.1 -52,-0.3 -0.405 77.9 -99.2 -78.0 161.4 13.4 24.3 36.0 349 563 A D B > -K 294 0G 55 -55,-0.3 3,-0.7 1,-0.2 -55,-0.3 -0.597 17.6-152.0 -80.5 136.3 11.5 21.1 35.4 350 564 A L T 3 S+ 0 0 0 -57,-2.6 2,-1.0 -2,-0.3 -1,-0.2 0.986 97.7 37.3 -67.7 -57.1 8.0 21.4 34.0 351 565 A F T > S+ 0 0 0 -58,-0.6 3,-0.8 -60,-0.5 -1,-0.3 -0.414 79.6 164.3 -95.1 58.1 6.9 18.2 35.6 352 566 A D T < + 0 0 69 -2,-1.0 -92,-0.1 -3,-0.7 3,-0.1 -0.189 67.3 42.1 -61.5 170.6 8.7 18.4 38.9 353 567 A R T 3 S+ 0 0 63 1,-0.1 2,-0.3 -93,-0.0 -1,-0.3 0.712 109.5 85.7 60.5 19.9 7.3 15.9 41.3 354 568 A L < + 0 0 13 -3,-0.8 2,-0.3 -63,-0.1 -1,-0.1 -0.988 47.3 162.5-156.0 138.2 7.1 13.4 38.4 355 569 A N > - 0 0 68 -2,-0.3 4,-2.8 -3,-0.1 5,-0.1 -0.888 50.9 -96.5-146.5 174.3 9.3 10.9 36.6 356 570 A T H > S+ 0 0 22 -2,-0.3 4,-2.7 -80,-0.2 5,-0.3 0.809 121.2 55.9 -62.7 -34.5 9.3 7.9 34.3 357 571 A G H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 112.3 43.0 -64.2 -44.0 9.5 5.5 37.2 358 572 A I H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.950 116.3 47.6 -64.3 -51.0 6.4 7.1 38.6 359 573 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.918 116.1 40.7 -57.7 -54.5 4.6 7.3 35.3 360 574 A N H X S+ 0 0 43 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.824 110.0 59.9 -64.8 -34.4 5.3 3.7 34.1 361 575 A K H X S+ 0 0 159 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.914 109.4 45.0 -58.2 -43.4 4.6 2.4 37.6 362 576 A H H >X S+ 0 0 29 -4,-1.9 4,-1.2 2,-0.2 3,-0.6 0.938 110.1 53.1 -65.5 -49.7 1.2 3.9 37.2 363 577 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.3 3,-0.4 0.863 105.8 54.8 -53.1 -43.9 0.7 2.6 33.7 364 578 A Q H 3< S+ 0 0 80 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.816 102.3 56.1 -61.3 -35.5 1.5 -0.9 34.8 365 579 A D H << S+ 0 0 86 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.819 110.4 47.4 -66.8 -28.7 -1.2 -0.8 37.5 366 580 A L H < S- 0 0 33 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.754 133.5 -0.2 -82.1 -30.8 -3.6 0.0 34.7 367 581 A M S >< S- 0 0 24 -4,-1.5 3,-1.9 3,-0.1 -1,-0.3 -0.851 79.4-111.2-162.2 127.6 -2.5 -2.7 32.3 368 582 A E T 3 S+ 0 0 80 -2,-0.3 3,-0.1 1,-0.3 -4,-0.1 -0.410 104.5 16.1 -63.3 125.8 0.2 -5.3 32.8 369 583 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.547 90.6 140.4 89.6 5.8 3.1 -4.6 30.4 370 584 A L < + 0 0 0 -3,-1.9 -1,-0.3 -7,-0.1 2,-0.3 -0.740 19.0 156.6 -89.0 133.5 2.1 -1.1 29.7 371 585 A T >> - 0 0 31 -2,-0.4 3,-0.8 -8,-0.1 4,-0.8 -0.922 55.5 -93.2-145.7 165.2 4.8 1.5 29.4 372 586 A A H >> S+ 0 0 2 -2,-0.3 3,-1.5 1,-0.2 4,-0.8 0.908 121.9 54.1 -45.1 -50.7 5.3 4.9 27.8 373 587 A K H 3> S+ 0 0 142 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.834 94.3 69.3 -60.6 -29.9 6.8 3.4 24.7 374 588 A V H <> S+ 0 0 12 -3,-0.8 4,-2.4 1,-0.3 -1,-0.3 0.823 93.9 58.7 -59.6 -31.4 3.9 1.1 24.1 375 589 A F H - 0 0 42 -2,-1.0 3,-1.2 1,-0.1 -2,-0.1 -0.420 5.5-140.4 -62.8 131.0 -7.8 3.2 -3.8 394 608 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.881 100.2 32.8 -60.4 -46.3 -9.8 -0.1 -4.5 395 609 A D T 3 S+ 0 0 102 2,-0.0 -2,-0.1 -3,-0.0 -3,-0.0 -0.041 95.8 117.4-103.8 30.2 -9.3 -0.0 -8.3 396 610 A E < - 0 0 36 -3,-1.2 2,-0.3 1,-0.1 -4,-0.0 -0.087 64.2-103.7 -80.9-169.9 -5.8 1.5 -8.2 397 611 A N > - 0 0 91 1,-0.1 4,-3.5 -2,-0.0 5,-0.5 -0.907 28.8-102.0-122.5 151.6 -2.6 -0.2 -9.5 398 612 A I H > S+ 0 0 63 -2,-0.3 4,-0.9 1,-0.2 5,-0.1 0.801 120.8 46.3 -34.4 -56.8 0.3 -1.8 -7.7 399 613 A P H >> S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.947 118.0 40.8 -57.5 -51.9 2.6 1.2 -8.2 400 614 A A H 3> S+ 0 0 35 -3,-0.3 4,-2.6 1,-0.3 -2,-0.2 0.853 114.4 52.2 -65.6 -36.7 -0.0 3.8 -7.1 401 615 A K H 3X S+ 0 0 13 -4,-3.5 4,-1.7 2,-0.2 -1,-0.3 0.667 108.3 54.1 -69.2 -20.5 -1.2 1.6 -4.3 402 616 A I H X S+ 0 0 1 -4,-3.2 4,-1.3 -5,-0.3 3,-0.6 0.871 108.7 49.2 -67.5 -39.7 3.7 5.1 5.8 410 624 A R H 3X S+ 0 0 24 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.759 97.3 67.9 -74.2 -27.4 4.9 8.8 5.9 411 625 A A H 3X S+ 0 0 39 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.782 106.1 44.9 -60.3 -27.3 2.0 10.0 8.1 412 626 A V H XX S+ 0 0 0 -3,-0.6 4,-2.1 -4,-0.5 3,-0.5 0.905 104.2 57.7 -81.7 -49.3 3.5 7.9 10.8 413 627 A A H 3<>S+ 0 0 0 -4,-1.3 5,-2.7 1,-0.3 4,-0.4 0.696 107.6 53.3 -55.5 -22.3 7.2 8.9 10.4 414 628 A I H 3<5S+ 0 0 103 -4,-1.0 -1,-0.3 3,-0.2 -2,-0.2 0.837 104.0 54.0 -82.2 -37.3 5.9 12.4 11.0 415 629 A L H <<5S+ 0 0 44 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.929 114.4 40.4 -62.6 -46.0 4.2 11.4 14.2 416 630 A C T <5S- 0 0 6 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.611 109.7-123.1 -77.2 -17.3 7.4 9.9 15.7 417 631 A N T 5 - 0 0 37 -4,-0.4 2,-0.6 -5,-0.3 -3,-0.2 0.916 41.5-179.4 73.3 45.3 9.5 12.8 14.3 418 632 A H < - 0 0 19 -5,-2.7 7,-1.5 7,-0.2 2,-0.4 -0.700 0.7-179.6 -83.1 118.8 11.8 10.5 12.3 419 633 A Q B +N 424 0I 81 -2,-0.6 5,-0.2 5,-0.2 2,-0.1 -0.977 14.4 176.6-128.5 122.9 14.5 12.5 10.5 420 634 A R 0 0 60 3,-3.6 5,-0.1 -2,-0.4 0, 0.0 -0.230 360.0 360.0 -96.4-164.8 17.3 11.2 8.2 421 635 A A 0 0 149 -2,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.369 360.0 360.0-155.5 360.0 19.5 13.8 6.5 422 ! 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 0.0 423 713 A Q 0 0 99 0, 0.0 -3,-3.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -67.6 14.4 14.8 6.2 424 714 A I B -N 419 0I 78 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.333 360.0-161.2 -56.6 102.1 11.3 12.6 6.8 425 715 A A - 0 0 23 -7,-1.5 4,-0.2 -2,-0.6 -7,-0.2 -0.721 16.3-177.3 -89.4 130.4 12.8 9.1 7.3 426 716 A L > + 0 0 51 -2,-0.4 4,-1.9 2,-0.1 5,-0.2 0.486 63.0 87.2-103.1 -14.3 10.4 6.2 6.9 427 717 A G H > S+ 0 0 47 1,-0.2 4,-1.0 2,-0.2 5,-0.2 0.903 85.3 48.1 -53.8 -53.4 12.8 3.4 7.7 428 718 A T H >>S+ 0 0 60 2,-0.2 4,-4.0 1,-0.2 5,-0.5 0.908 112.9 45.4 -60.0 -48.1 12.5 3.2 11.4 429 719 A S H >>S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-1.6 0.956 113.3 52.5 -59.3 -46.1 8.7 3.2 11.7 430 720 A K H <5S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.692 123.9 29.2 -59.7 -26.3 8.6 0.6 8.9 431 721 A L H <5S+ 0 0 61 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.690 133.8 24.2-108.1 -24.4 11.1 -1.4 10.9 432 722 A N H <5S+ 0 0 67 -4,-4.0 -3,-0.2 -5,-0.2 -2,-0.2 0.693 122.8 30.3-116.0 -29.3 10.4 -0.6 14.5 433 723 A F T <> - 0 0 0 -2,-0.5 3,-3.2 -58,-0.2 4,-0.6 -0.442 20.3-145.6 -57.6 112.8 3.0 -4.2 13.2 436 726 A P H >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.775 95.8 68.4 -51.3 -36.5 4.2 -6.2 10.2 437 727 A R H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.727 92.4 63.1 -56.5 -25.1 1.0 -8.2 10.1 438 728 A I H <> S+ 0 0 7 -3,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.928 109.5 35.9 -64.9 -46.8 -0.7 -4.9 9.1 439 729 A T H S+ 0 0 1 -4,-2.7 5,-1.9 2,-0.2 4,-1.4 0.985 113.5 44.2 -59.0 -57.9 -0.5 -6.8 0.6 444 734 A K H <5S+ 0 0 100 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.898 114.7 49.8 -53.1 -46.9 -2.4 -10.1 0.6 445 735 A K H <5S+ 0 0 106 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 119.0 36.4 -58.7 -49.6 -5.7 -8.3 0.4 446 736 A W H <5S- 0 0 89 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.473 107.9-118.6 -86.2 -1.9 -4.7 -6.0 -2.5 447 737 A G T <5 + 0 0 53 -4,-1.4 -3,-0.2 -3,-0.4 -4,-0.1 0.788 63.2 148.6 69.3 23.6 -2.6 -8.5 -4.3 448 738 A V < - 0 0 3 -5,-1.9 -1,-0.3 -6,-0.3 -2,-0.1 -0.858 53.0-118.9 -90.9 117.9 0.5 -6.3 -3.9 449 739 A P >> - 0 0 73 0, 0.0 3,-2.6 0, 0.0 4,-0.5 -0.405 11.8-133.6 -59.7 131.9 3.5 -8.6 -3.6 450 740 A I H >> S+ 0 0 24 1,-0.3 4,-3.3 2,-0.2 3,-1.1 0.772 105.6 67.2 -58.9 -25.4 5.2 -8.2 -0.2 451 741 A E H 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.685 92.6 61.8 -66.4 -22.3 8.5 -8.1 -2.0 452 742 A K H <4 S+ 0 0 46 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.727 118.9 24.6 -75.4 -24.2 7.3 -4.8 -3.4 453 743 A I H << S+ 0 0 9 -3,-1.1 2,-0.4 -4,-0.5 -2,-0.2 0.817 123.7 41.4-105.5 -53.2 7.1 -3.4 0.1 454 744 A Y S < S- 0 0 3 -4,-3.3 -1,-0.3 4,-0.0 2,-0.1 -0.841 77.6-136.9 -99.5 140.2 9.5 -5.2 2.3 455 745 A N > - 0 0 84 -2,-0.4 4,-2.6 -3,-0.1 5,-0.2 -0.366 40.1 -83.7 -85.8 172.5 12.9 -6.1 1.0 456 746 A K H > S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.777 130.2 44.3 -44.6 -43.3 14.5 -9.6 1.6 457 747 A T H > S+ 0 0 97 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.895 112.1 52.0 -70.7 -44.6 15.9 -8.7 5.0 458 748 A Q H > S+ 0 0 26 1,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.860 111.2 49.5 -57.1 -37.7 12.7 -7.0 6.0 459 749 A R H < S+ 0 0 91 -4,-2.6 4,-0.3 2,-0.2 -1,-0.3 0.799 109.1 51.4 -71.4 -31.1 11.1 -10.3 4.9 460 750 A E H >< S+ 0 0 117 -4,-1.1 3,-0.7 -5,-0.2 4,-0.2 0.948 115.5 42.5 -68.1 -49.9 13.6 -12.2 7.0 461 751 A K H >< S+ 0 0 30 -4,-3.3 3,-0.6 1,-0.2 -2,-0.2 0.982 121.4 38.3 -56.8 -61.6 12.8 -10.1 10.0 462 752 A F G >X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 3,-1.0 0.229 79.7 116.8 -79.3 12.3 9.0 -10.1 9.6 463 753 A A G <4 S+ 0 0 48 -3,-0.7 4,-0.4 1,-0.3 5,-0.2 0.854 71.0 58.8 -47.6 -43.0 8.8 -13.7 8.4 464 754 A W G X> S+ 0 0 46 -3,-0.6 4,-2.0 -4,-0.2 3,-0.6 0.904 111.5 41.8 -57.4 -39.6 6.7 -14.6 11.4 465 755 A A H <> S+ 0 0 0 -3,-1.0 4,-1.1 1,-0.2 -2,-0.2 0.894 105.9 62.1 -74.3 -41.8 4.2 -12.0 10.3 466 756 A I H 3< S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.471 116.2 33.6 -65.7 1.9 4.4 -12.9 6.6 467 757 A D H <4 S+ 0 0 144 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.674 118.8 45.2-123.1 -38.5 3.1 -16.3 7.5 468 758 A M H < S+ 0 0 101 -4,-2.0 2,-0.4 -5,-0.2 -2,-0.2 0.254 99.1 74.0 -95.6 14.5 0.7 -15.9 10.4 469 759 A A < - 0 0 6 -4,-1.1 2,-0.2 -5,-0.1 -1,-0.0 -0.988 57.7-179.6-131.2 132.0 -1.3 -12.9 9.2 470 760 A D > - 0 0 57 -2,-0.4 3,-2.7 -26,-0.0 -29,-0.1 -0.546 49.3 -71.7-121.8-176.9 -4.0 -12.9 6.5 471 761 A E T 3 S+ 0 0 56 1,-0.3 -30,-0.0 -2,-0.2 -2,-0.0 0.365 126.0 58.2 -53.4 3.2 -6.5 -10.8 4.6 472 762 A D T 3 S+ 0 0 92 2,-0.0 2,-0.4 -27,-0.0 -1,-0.3 0.237 74.9 132.1-120.9 15.9 -8.5 -10.6 7.8 473 763 A Y < + 0 0 25 -3,-2.7 2,-0.5 -36,-0.2 -31,-0.1 -0.551 25.5 172.6 -78.0 125.4 -5.9 -9.0 10.1 474 764 A E 0 0 56 -2,-0.4 -36,-0.0 1,-0.2 -2,-0.0 -0.988 360.0 360.0-134.7 115.2 -7.0 -6.1 12.1 475 765 A F 0 0 6 -2,-0.5 -1,-0.2 -94,-0.1 -238,-0.1 0.904 360.0 360.0 -61.4 360.0 -4.6 -4.7 14.8