==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC RESISTANCE 27-JUN-06 2IWD . COMPND 2 MOLECULE: METHICILLIN RESISTANCE MECR1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.MARRERO,G.MALLORQUI-FERNANDEZ,T.GUEVARA, . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 4 1.6 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 0 0 0 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 1 340 A D 0 0 102 0, 0.0 46,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.5 21.6 16.7 99.6 2 341 A K B -A 46 0A 90 44,-0.2 2,-0.5 125,-0.0 44,-0.2 -0.963 360.0-132.5-135.7 133.9 25.0 15.7 100.9 3 342 A Y - 0 0 46 42,-2.7 2,-0.6 -2,-0.4 145,-0.1 -0.737 26.2-145.4 -84.0 124.9 27.0 12.6 101.5 4 343 A E + 0 0 144 -2,-0.5 2,-0.3 2,-0.0 -1,-0.0 -0.811 36.8 138.2-100.1 121.0 28.5 12.4 104.9 5 344 A T - 0 0 42 -2,-0.6 -2,-0.0 2,-0.1 40,-0.0 -0.969 39.1-160.1-156.0 141.3 31.9 10.8 105.3 6 345 A N + 0 0 158 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.272 43.9 148.7-113.8 40.4 35.0 11.6 107.3 7 346 A V - 0 0 48 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.512 50.6-112.0 -70.7 144.3 37.2 9.4 105.1 8 347 A S + 0 0 107 -2,-0.2 28,-0.6 29,-0.0 2,-0.3 -0.538 40.9 176.9 -73.0 146.8 40.8 10.5 104.6 9 348 A Y E -b 36 0B 83 -2,-0.2 2,-0.3 26,-0.1 28,-0.2 -0.991 35.1-113.5-149.7 147.3 41.9 11.7 101.2 10 349 A K E -b 37 0B 127 26,-2.7 28,-2.5 -2,-0.3 2,-0.4 -0.645 45.3-116.5 -69.8 134.9 45.0 13.1 99.4 11 350 A K E -b 38 0B 173 -2,-0.3 28,-0.2 26,-0.2 3,-0.2 -0.659 26.4-170.2 -78.2 130.0 44.1 16.7 98.3 12 351 A L > + 0 0 27 26,-3.3 3,-1.7 -2,-0.4 4,-0.1 -0.263 31.6 142.5-112.2 51.3 44.1 17.2 94.5 13 352 A N G > + 0 0 100 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.690 60.2 69.0 -64.8 -19.8 43.8 21.1 94.4 14 353 A Q G 3 S+ 0 0 168 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.382 82.1 74.9 -87.9 6.9 46.1 21.6 91.5 15 354 A L G X> + 0 0 11 -3,-1.7 3,-1.9 1,-0.2 4,-0.5 0.491 68.5 100.6 -80.9 -8.7 43.5 20.0 89.2 16 355 A A G X4 + 0 0 37 -3,-1.4 3,-2.0 1,-0.3 -1,-0.2 0.858 70.0 60.7 -49.6 -45.0 41.5 23.3 89.6 17 356 A P G >4 S+ 0 0 97 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.777 96.5 61.6 -56.4 -27.5 42.6 24.7 86.2 18 357 A Y G <4 S+ 0 0 40 -3,-1.9 -2,-0.2 1,-0.3 220,-0.1 0.705 100.4 55.5 -67.9 -23.1 40.9 21.7 84.4 19 358 A F G X< S+ 0 0 4 -3,-2.0 3,-3.0 -4,-0.5 -1,-0.3 0.129 73.3 153.0-100.0 17.9 37.6 22.8 85.8 20 359 A K T < S+ 0 0 183 -3,-1.3 3,-0.1 1,-0.3 -4,-0.0 -0.251 73.7 19.8 -46.3 129.0 37.8 26.4 84.4 21 360 A G T 3 S+ 0 0 71 1,-0.2 203,-0.4 3,-0.0 2,-0.3 0.257 116.6 88.5 91.0 -8.8 34.1 27.5 84.0 22 361 A F S < S- 0 0 30 -3,-3.0 2,-0.8 201,-0.1 -1,-0.2 -0.801 71.4-137.8-124.9 154.0 32.8 24.9 86.4 23 362 A D E +C 222 0B 86 199,-3.2 199,-1.0 -2,-0.3 2,-0.3 -0.922 62.9 156.9 -94.3 97.4 31.9 23.9 90.0 24 363 A G E -C 221 0B 0 -2,-0.8 2,-0.3 197,-0.2 197,-0.2 -0.767 34.4-156.2-129.2 165.4 33.4 20.5 89.5 25 364 A S E -C 220 0B 0 195,-2.2 195,-2.0 -2,-0.3 2,-0.4 -0.966 3.7-161.4-141.1 155.4 34.9 17.7 91.4 26 365 A F E -CD 219 39B 0 13,-1.7 13,-3.2 -2,-0.3 2,-0.4 -0.967 9.9-175.0-139.2 120.0 37.3 14.8 90.7 27 366 A V E -CD 218 38B 0 191,-2.6 191,-2.0 -2,-0.4 2,-0.4 -0.985 1.7-175.4-113.0 128.8 37.5 11.7 93.0 28 367 A L E -CD 217 37B 11 9,-3.1 9,-2.8 -2,-0.4 2,-0.5 -0.979 7.2-163.5-117.4 136.7 40.1 8.9 92.4 29 368 A Y E -CD 216 36B 19 187,-3.3 187,-2.4 -2,-0.4 2,-0.8 -0.985 8.2-153.4-116.2 127.3 40.3 5.7 94.4 30 369 A N E >> -CD 215 35B 32 5,-2.6 4,-2.0 -2,-0.5 5,-1.4 -0.871 5.9-160.9-102.5 106.2 43.5 3.7 94.3 31 370 A E T 45S+ 0 0 53 183,-2.8 -1,-0.2 -2,-0.8 184,-0.1 0.886 85.5 48.1 -58.7 -46.5 42.5 0.1 95.0 32 371 A R T 45S+ 0 0 113 182,-0.3 -1,-0.2 1,-0.2 183,-0.1 0.931 121.6 33.4 -62.5 -48.5 45.9 -1.2 96.0 33 372 A E T 45S- 0 0 115 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.648 101.7-134.5 -82.6 -14.1 46.8 1.6 98.4 34 373 A Q T <5 + 0 0 148 -4,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.974 57.3 138.0 61.5 58.3 43.1 1.9 99.4 35 374 A A E < - D 0 30B 34 -5,-1.4 -5,-2.6 2,-0.0 2,-0.3 -0.996 47.1-142.6-146.9 129.8 43.3 5.7 99.2 36 375 A Y E -bD 9 29B 22 -28,-0.6 -26,-2.7 -2,-0.4 2,-0.4 -0.692 9.2-166.4 -87.9 145.7 41.1 8.5 97.8 37 376 A S E -bD 10 28B 6 -9,-2.8 -9,-3.1 -2,-0.3 2,-0.4 -0.996 15.5-170.5-125.0 138.2 42.3 11.5 96.1 38 377 A I E -bD 11 27B 3 -28,-2.5 -26,-3.3 -2,-0.4 2,-0.6 -0.989 24.6-160.0-137.9 127.1 39.9 14.4 95.7 39 378 A Y E S+ D 0 26B 29 -13,-3.2 -13,-1.7 -2,-0.4 -26,-0.1 -0.944 90.6 5.0 -89.7 124.5 39.7 17.7 93.8 40 379 A N S > S- 0 0 35 -2,-0.6 4,-2.1 -15,-0.2 -1,-0.2 0.999 70.8-166.4 69.3 69.2 37.1 19.8 95.5 41 380 A E H > S+ 0 0 49 -3,-0.3 4,-1.0 2,-0.2 107,-0.1 0.905 85.0 53.6 -54.0 -48.2 36.0 17.8 98.5 42 381 A P H >> S+ 0 0 74 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.954 112.6 44.3 -58.0 -45.2 32.9 19.8 99.2 43 382 A E H >4 S+ 0 0 24 1,-0.2 3,-0.6 -19,-0.2 104,-0.4 0.816 105.1 63.7 -66.9 -28.9 31.7 19.4 95.6 44 383 A S H 3< S+ 0 0 0 -4,-2.1 104,-2.2 1,-0.2 105,-0.3 0.669 106.1 45.2 -66.1 -20.9 32.7 15.6 95.8 45 384 A K H << S+ 0 0 6 -3,-1.2 -42,-2.7 -4,-1.0 2,-0.3 0.479 86.6 106.8 -94.9 -11.9 30.0 15.1 98.5 46 385 A Q B << -A 2 0A 66 -4,-0.6 101,-0.5 -3,-0.6 2,-0.4 -0.561 69.2-131.9 -71.6 135.5 27.2 17.1 96.9 47 386 A R E +H 146 0C 37 -46,-2.9 2,-0.3 -2,-0.3 99,-0.3 -0.748 31.6 171.4 -94.7 131.6 24.5 14.8 95.5 48 387 A Y E -H 145 0C 33 97,-2.3 97,-3.1 -2,-0.4 153,-0.0 -0.942 48.6 -78.4-133.9 155.1 23.3 15.3 92.0 49 388 A S - 0 0 4 -2,-0.3 95,-0.2 95,-0.3 3,-0.1 -0.301 39.3-149.0 -51.3 128.0 21.0 13.4 89.6 50 389 A P > + 0 0 0 0, 0.0 3,-2.8 0, 0.0 4,-0.2 0.560 32.2 179.1 -84.0 -20.0 23.5 10.6 88.3 51 390 A N G > + 0 0 0 87,-0.9 3,-3.0 92,-0.3 4,-0.2 -0.107 62.2 2.8 47.3-128.1 21.6 10.7 85.1 52 391 A X G > S+ 0 0 101 1,-0.3 3,-1.9 140,-0.2 4,-0.3 0.783 121.3 73.2 -75.5 -6.9 22.8 8.3 82.5 53 392 A T G X S+ 0 0 0 -3,-2.8 3,-0.7 1,-0.3 4,-0.4 0.691 84.7 69.6 -77.4 -7.4 25.4 7.0 84.9 54 393 A Y G X> S+ 0 0 0 -3,-3.0 4,-2.2 1,-0.2 3,-0.8 0.708 77.8 79.5 -74.4 -19.3 22.5 5.2 86.6 55 394 A K H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.818 81.9 66.0 -57.4 -33.9 22.1 3.0 83.6 56 395 A I H <> S+ 0 0 0 -3,-0.7 4,-1.6 -4,-0.3 -1,-0.3 0.905 110.5 33.5 -52.8 -48.5 25.0 0.9 85.0 57 396 A Y H <> S+ 0 0 0 -3,-0.8 4,-2.6 -4,-0.4 -2,-0.2 0.790 111.6 60.6 -85.4 -30.9 23.0 -0.2 88.0 58 397 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 108.2 48.5 -59.7 -41.9 19.7 -0.3 86.2 59 398 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.941 109.4 49.6 -61.4 -51.4 21.5 -2.9 84.0 60 399 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.890 112.6 50.6 -55.4 -38.3 22.8 -5.0 87.0 61 400 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.932 107.8 50.1 -66.2 -45.7 19.3 -4.9 88.4 62 401 A A H <>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 6,-1.5 0.876 112.5 49.3 -63.0 -35.5 17.7 -6.1 85.2 63 402 A F H ><5S+ 0 0 6 -4,-2.4 3,-2.0 4,-0.2 -1,-0.2 0.939 110.0 49.2 -65.0 -48.3 20.2 -9.0 85.1 64 403 A D H 3<5S+ 0 0 54 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 110.5 51.2 -62.4 -33.9 19.6 -9.9 88.7 65 404 A Q T 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.268 114.3-119.4 -84.7 11.3 15.8 -9.9 88.0 66 405 A N T < 5S+ 0 0 138 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.817 83.6 122.6 46.4 34.6 16.4 -12.2 84.9 67 406 A L S -I 72 0D 58 3,-2.1 3,-2.4 -2,-0.4 -5,-0.0 -0.875 33.7-109.4-111.0 153.6 20.1 -12.8 80.2 70 409 A L T 3 S+ 0 0 64 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.789 121.8 31.4 -46.4 -39.6 23.7 -13.1 79.2 71 410 A N T 3 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 -0.130 116.7 64.2-112.8 33.4 22.8 -14.0 75.5 72 411 A H B < +I 69 0D 127 -3,-2.4 -3,-2.1 1,-0.0 -1,-0.2 -0.617 50.4 122.7-154.8 82.6 19.6 -12.0 75.5 73 412 A T + 0 0 5 -5,-0.2 2,-0.1 -3,-0.1 -3,-0.1 0.398 42.2 120.9-118.1 -3.0 20.2 -8.2 75.8 74 413 A E - 0 0 125 18,-0.2 2,-0.4 16,-0.0 18,-0.2 -0.339 40.0-169.4 -68.6 137.1 18.5 -7.2 72.6 75 414 A Q B -J 91 0E 31 16,-2.8 16,-1.9 -2,-0.1 2,-0.3 -0.994 22.9-117.9-127.4 139.7 15.5 -4.8 72.6 76 415 A Q - 0 0 169 -2,-0.4 2,-0.6 14,-0.2 14,-0.0 -0.536 23.7-126.4 -71.6 130.7 13.1 -3.9 69.8 77 416 A W - 0 0 39 -2,-0.3 13,-0.2 1,-0.1 -1,-0.1 -0.708 13.4-148.4 -77.0 117.6 13.1 -0.3 68.6 78 417 A D - 0 0 118 -2,-0.6 -1,-0.1 11,-0.1 10,-0.0 0.406 43.1-105.8 -73.2 2.6 9.4 0.8 68.8 79 418 A K + 0 0 154 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.382 68.4 147.1 89.8 3.8 9.9 3.2 65.8 80 419 A H - 0 0 107 1,-0.1 2,-0.5 0, 0.0 -1,-0.3 -0.546 47.4-128.0 -68.2 124.2 9.9 6.6 67.6 81 420 A Q - 0 0 114 -2,-0.3 4,-0.1 7,-0.0 -1,-0.1 -0.642 27.7-165.1 -77.9 123.7 12.2 9.1 65.9 82 421 A Y - 0 0 52 -2,-0.5 6,-0.1 2,-0.2 5,-0.0 -0.667 33.4-112.7-105.8 160.6 14.7 10.7 68.2 83 422 A P S S+ 0 0 113 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.693 106.9 62.0 -62.2 -22.3 17.0 13.9 67.8 84 423 A F S > S- 0 0 102 1,-0.1 3,-1.2 0, 0.0 4,-0.3 -0.952 76.8-150.0-111.5 123.9 20.0 11.5 67.9 85 424 A K G > S+ 0 0 138 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.789 89.0 68.8 -66.5 -30.8 20.2 8.9 65.1 86 425 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.758 97.8 55.6 -59.5 -24.2 22.1 6.2 67.0 87 426 A W G < S+ 0 0 17 -3,-1.2 2,-1.3 1,-0.2 -1,-0.3 0.680 84.2 87.0 -79.4 -21.2 19.0 5.8 69.1 88 427 A N S < S+ 0 0 11 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 -0.191 85.4 53.6 -82.5 43.9 16.7 5.1 66.1 89 428 A Q S S- 0 0 97 -2,-1.3 -11,-0.1 -3,-0.2 0, 0.0 -0.977 96.8 -63.0-161.4 167.2 17.4 1.3 65.9 90 429 A D - 0 0 106 -2,-0.3 2,-0.3 -13,-0.2 -14,-0.2 -0.189 55.9-157.9 -51.2 149.6 17.3 -2.0 67.7 91 430 A Q B -J 75 0E 6 -16,-1.9 -16,-2.8 -18,-0.1 2,-0.3 -0.918 18.1-164.2-132.9 154.8 19.8 -2.0 70.6 92 431 A N > - 0 0 59 -2,-0.3 4,-2.9 -18,-0.2 5,-0.3 -0.784 49.8 -86.9-122.7 178.6 21.7 -4.5 72.7 93 432 A L H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.928 126.5 49.1 -50.5 -53.2 23.4 -3.9 76.1 94 433 A N H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 116.8 39.2 -53.5 -54.8 26.7 -2.7 74.4 95 434 A S H > S+ 0 0 24 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.888 113.0 56.0 -65.6 -41.7 25.1 -0.3 71.9 96 435 A S H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.2 0.872 115.1 39.6 -57.7 -39.2 22.5 1.0 74.4 97 436 A M H <5S+ 0 0 6 -4,-2.2 3,-0.4 -5,-0.3 -2,-0.2 0.899 115.0 50.8 -76.5 -45.1 25.4 1.9 76.7 98 437 A K H <5S+ 0 0 162 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.927 123.2 31.3 -57.8 -47.7 27.7 3.2 74.0 99 438 A Y T <5S- 0 0 76 -4,-3.4 -1,-0.2 -5,-0.2 3,-0.2 0.421 105.0-127.7 -92.2 1.8 25.0 5.5 72.6 100 439 A S T 5 - 0 0 1 -3,-0.4 2,-1.3 -4,-0.2 -3,-0.2 0.947 31.6-168.7 50.7 56.4 23.3 6.1 75.9 101 440 A V >>< - 0 0 0 -5,-2.4 3,-1.6 1,-0.2 4,-0.9 -0.636 9.0-163.0 -83.7 96.1 19.9 5.1 74.6 102 441 A N H >> S+ 0 0 15 -2,-1.3 4,-2.1 1,-0.3 3,-0.7 0.809 83.2 62.1 -42.4 -42.8 17.5 6.2 77.3 103 442 A W H 3> S+ 0 0 11 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.808 96.9 58.3 -63.9 -28.5 14.6 4.1 76.0 104 443 A Y H <> S+ 0 0 0 -3,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.886 113.3 39.1 -62.3 -39.6 16.5 0.9 76.6 105 444 A Y H < S+ 0 0 17 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.892 107.0 60.4 -63.4 -40.4 12.9 0.3 84.7 110 449 A K H 3< S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.4 43.6 -59.3 -31.2 9.3 -0.1 83.5 111 450 A H H 3< S+ 0 0 126 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.3 0.550 97.1 86.2 -97.1 -6.9 9.5 -3.8 84.1 112 451 A L S << S- 0 0 14 -3,-0.9 2,-0.4 -4,-0.8 -50,-0.0 -0.666 86.2-110.5 -86.3 148.0 11.2 -3.8 87.5 113 452 A R > - 0 0 182 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.665 20.1-132.8 -74.1 131.9 9.1 -3.5 90.6 114 453 A Q H > S+ 0 0 102 -2,-0.4 4,-3.1 1,-0.2 -1,-0.1 0.834 108.4 51.6 -51.3 -36.7 9.7 -0.1 92.3 115 454 A D H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.832 106.1 51.1 -73.9 -37.4 10.1 -2.0 95.6 116 455 A E H > S+ 0 0 55 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.932 114.4 47.1 -60.6 -46.1 12.7 -4.4 94.3 117 456 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.934 109.6 51.4 -61.1 -48.8 14.5 -1.3 93.0 118 457 A K H X S+ 0 0 85 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.909 111.0 50.0 -53.6 -41.6 14.1 0.5 96.3 119 458 A S H X S+ 0 0 73 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 109.7 50.3 -65.6 -42.7 15.6 -2.6 98.0 120 459 A Y H X S+ 0 0 19 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.887 110.3 49.0 -57.9 -43.5 18.5 -2.6 95.6 121 460 A L H X>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 4,-1.0 0.824 110.2 51.8 -72.4 -31.6 19.3 1.0 96.2 122 461 A D H <5S+ 0 0 97 -4,-2.0 3,-0.2 -5,-0.3 -1,-0.2 0.935 112.3 46.5 -64.1 -45.5 19.2 0.4 99.9 123 462 A L H <5S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.934 120.0 37.4 -62.6 -47.5 21.6 -2.5 99.5 124 463 A I H <5S- 0 0 9 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.560 106.4-124.8 -86.1 -6.4 24.0 -0.6 97.2 125 464 A E T <5 - 0 0 129 -4,-1.0 2,-1.8 -3,-0.2 -3,-0.2 0.954 32.3-169.4 61.4 55.3 23.7 2.7 99.1 126 465 A Y > < - 0 0 0 -5,-2.1 3,-1.9 -6,-0.1 18,-0.2 -0.567 41.9 -88.8 -83.0 82.3 22.7 4.6 96.0 127 466 A G T 3 S- 0 0 5 -2,-1.8 18,-0.2 1,-0.3 16,-0.1 -0.234 100.1 -12.1 59.9-126.9 22.9 8.2 97.2 128 467 A N T 3 S- 0 0 33 16,-1.9 -1,-0.3 2,-0.1 3,-0.1 0.575 80.9-139.2 -84.5 -9.7 19.6 9.5 98.8 129 468 A E < + 0 0 69 -3,-1.9 2,-1.0 15,-0.3 -2,-0.1 0.690 46.8 153.7 60.8 19.7 17.7 6.5 97.4 130 469 A E + 0 0 92 12,-0.3 -1,-0.2 14,-0.2 3,-0.2 -0.722 9.0 152.2 -85.0 102.6 14.8 8.9 96.5 131 470 A I + 0 0 6 -2,-1.0 6,-0.2 11,-0.1 -1,-0.2 0.131 49.7 94.6-112.0 18.7 12.9 7.2 93.6 132 471 A S + 0 0 83 1,-0.1 -1,-0.1 5,-0.1 -2,-0.1 0.721 62.4 79.7 -77.9 -27.4 9.6 8.9 94.6 133 472 A G S S- 0 0 35 -3,-0.2 2,-0.2 4,-0.1 -1,-0.1 0.889 104.0 -33.3 -57.2 -56.9 9.8 12.0 92.3 134 473 A N > - 0 0 108 -3,-0.1 3,-0.8 1,-0.1 -1,-0.1 -0.847 65.9 -85.6-151.7-177.1 8.8 10.7 88.9 135 474 A E T 3 S+ 0 0 124 1,-0.3 2,-0.9 -2,-0.2 3,-0.2 0.938 128.7 45.6 -66.0 -44.3 8.8 7.6 86.6 136 475 A N T > S+ 0 0 57 1,-0.2 3,-2.8 3,-0.1 -1,-0.3 -0.394 74.4 161.8 -94.3 53.9 12.3 8.6 85.3 137 476 A Y T < + 0 0 5 -2,-0.9 6,-1.7 -3,-0.8 4,-0.5 0.639 66.7 61.6 -48.6 -21.8 13.5 9.4 88.8 138 477 A W T 3 S+ 0 0 1 -3,-0.2 -87,-0.9 4,-0.1 2,-0.8 0.566 87.4 81.1 -87.3 -7.5 17.2 9.2 87.6 139 478 A N S < S- 0 0 28 -3,-2.8 -1,-0.1 1,-0.2 -3,-0.1 -0.823 126.5 -50.5-101.7 98.4 16.8 12.1 85.1 140 479 A E S S+ 0 0 66 -2,-0.8 -1,-0.2 1,-0.1 2,-0.1 0.903 117.1 106.1 40.9 49.1 17.1 15.4 86.9 141 480 A S S S- 0 0 17 -4,-0.5 -1,-0.1 2,-0.4 -4,-0.1 -0.249 88.9 -47.5-129.9-140.6 14.5 14.1 89.3 142 481 A S S S+ 0 0 19 -2,-0.1 2,-0.4 -3,-0.1 -12,-0.3 0.804 103.0 87.7 -75.4 -31.3 14.5 12.9 92.9 143 482 A L + 0 0 0 -6,-1.7 -2,-0.4 -14,-0.1 2,-0.4 -0.567 55.0 173.7 -81.0 124.8 17.5 10.4 92.9 144 483 A K - 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F 0 203B 0 12,-2.1 12,-3.4 -139,-0.2 2,-0.4 -0.957 7.4-177.6-154.3 133.9 26.0 11.6 82.1 192 531 A T E - F 0 202B 4 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.996 4.5-177.1-128.9 138.2 24.3 14.9 81.0 193 532 A G E - F 0 201B 0 8,-2.1 7,-2.2 34,-0.5 8,-1.2 -0.992 14.6-143.1-135.1 146.8 21.4 16.6 82.6 194 533 A I E + F 0 199B 88 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.900 20.7 168.9-110.4 131.2 19.5 19.7 81.7 195 534 A V E > S+ F 0 198B 75 3,-2.4 3,-1.1 -2,-0.5 -2,-0.0 -0.981 73.4 6.2-140.8 136.4 18.1 22.2 84.0 196 535 A N T 3 S- 0 0 120 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.854 130.4 -63.0 58.5 41.4 16.8 25.7 83.1 197 536 A H T 3 S+ 0 0 178 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.560 117.1 105.4 63.9 13.6 17.2 24.7 79.4 198 537 A K E < S-F 195 0B 65 -3,-1.1 -3,-2.4 27,-0.1 2,-0.8 -0.927 82.2-109.3-124.2 147.2 21.0 24.4 79.9 199 538 A E E +F 194 0B 60 -2,-0.3 28,-2.2 -5,-0.2 -5,-0.2 -0.647 56.4 150.3 -69.0 108.4 23.4 21.5 80.2 200 539 A A E +k 227 0F 23 -7,-2.2 23,-0.6 -2,-0.8 2,-0.4 0.309 48.2 59.4-132.1 3.5 24.2 21.9 83.9 201 540 A N E +FG 193 222B 5 -8,-1.2 -8,-2.1 26,-1.0 2,-0.4 -0.939 59.8 178.6-143.6 111.0 25.0 18.4 85.2 202 541 A G E -FG 192 221B 0 19,-2.7 19,-3.2 -2,-0.4 2,-0.4 -0.979 2.3-177.5-122.0 129.9 27.9 16.5 83.7 203 542 A W E +FG 191 220B 0 -12,-3.4 -12,-2.1 -2,-0.4 2,-0.3 -0.972 15.7 171.7-123.9 139.6 29.2 13.1 84.8 204 543 A F E +FG 190 219B 1 15,-2.4 15,-2.9 -2,-0.4 2,-0.3 -0.877 18.6 168.3-139.7 116.0 32.0 10.9 83.8 205 544 A V E +FG 189 218B 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.3 -0.927 19.6 91.2-123.6 148.3 32.5 7.8 86.0 206 545 A G E -FG 188 217B 0 11,-2.3 11,-2.9 -2,-0.3 2,-0.3 -0.975 51.0-101.9 167.7-155.0 34.5 4.7 85.6 207 546 A Y E -FG 187 216B 0 -20,-2.2 -20,-3.0 -2,-0.3 2,-0.4 -0.976 9.2-132.8-163.1 156.0 37.9 3.2 86.2 208 547 A V E -FG 186 215B 0 7,-2.6 7,-3.1 -2,-0.3 2,-0.6 -0.972 21.7-161.6-112.9 128.3 41.2 2.2 84.8 209 548 A E E -FG 185 214B 56 -24,-3.0 -24,-2.7 -2,-0.4 5,-0.3 -0.960 13.0-178.8-117.0 116.7 42.4 -1.3 85.5 210 549 A T E -F 184 0B 34 3,-2.6 -26,-0.2 -2,-0.6 -27,-0.1 -0.367 47.3 -83.7-103.1-171.6 46.1 -1.9 85.0 211 550 A K S S+ 0 0 171 -28,-0.6 -27,-0.1 1,-0.2 3,-0.1 0.648 125.8 16.8 -72.2 -12.9 48.2 -5.0 85.4 212 551 A D S S+ 0 0 107 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.367 127.0 24.4-137.7 2.4 48.6 -4.5 89.2 213 552 A N - 0 0 6 -182,-0.1 -3,-2.6 -3,-0.1 2,-0.3 -0.940 55.6-135.7-158.4 173.2 46.0 -2.0 90.2 214 553 A T E - G 0 209B 9 -2,-0.3 -183,-2.8 -5,-0.3 2,-0.6 -0.983 13.0-162.0-143.9 130.3 42.6 -0.4 89.5 215 554 A Y E -CG 30 208B 35 -7,-3.1 -7,-2.6 -2,-0.3 2,-0.3 -0.971 11.0-162.6-119.3 107.9 42.0 3.3 89.8 216 555 A Y E +CG 29 207B 0 -187,-2.4 -187,-3.3 -2,-0.6 2,-0.3 -0.745 15.7 177.0 -93.0 147.3 38.3 4.2 90.1 217 556 A F E -CG 28 206B 0 -11,-2.9 -11,-2.3 -2,-0.3 2,-0.3 -0.966 24.0-165.5-145.8 158.8 37.2 7.7 89.4 218 557 A A E -CG 27 205B 0 -191,-2.0 -191,-2.6 -2,-0.3 2,-0.5 -0.955 6.5-168.3-144.4 131.4 34.3 10.1 89.1 219 558 A T E -CG 26 204B 0 -15,-2.9 -15,-2.4 -2,-0.3 2,-0.4 -0.985 10.7-171.8-113.2 128.7 34.3 13.6 87.6 220 559 A H E -CG 25 203B 1 -195,-2.0 -195,-2.2 -2,-0.5 2,-0.4 -0.986 3.9-162.7-121.9 138.5 31.3 15.8 88.1 221 560 A L E +CG 24 202B 0 -19,-3.2 -19,-2.7 -2,-0.4 2,-0.4 -0.963 10.9 176.9-121.0 138.5 30.5 19.2 86.5 222 561 A K E +CG 23 201B 77 -199,-1.0 -199,-3.2 -2,-0.4 2,-0.3 -0.998 27.3 128.5-130.0 130.7 28.1 21.9 87.5 223 562 A G - 0 0 21 -23,-0.6 4,-0.2 -2,-0.4 -201,-0.1 -0.977 68.2 -87.7-171.4 176.7 27.9 25.1 85.5 224 563 A E S S- 0 0 156 -203,-0.4 2,-0.3 -2,-0.3 -24,-0.1 0.757 104.4 -20.9 -72.9 -23.6 25.7 27.5 83.7 225 564 A D S S+ 0 0 75 -27,-0.1 -1,-0.2 -25,-0.1 3,-0.1 -0.940 120.1 47.2-171.9 165.9 26.0 25.6 80.4 226 565 A N + 0 0 100 -2,-0.3 2,-1.4 1,-0.2 -26,-0.2 0.611 65.8 136.3 60.8 13.1 28.3 23.1 78.8 227 566 A A B +k 200 0F 0 -28,-2.2 -26,-1.0 -4,-0.2 -34,-0.5 -0.758 37.3 137.2 -84.9 89.3 28.3 21.0 82.0 228 567 A N S > S- 0 0 18 -2,-1.4 4,-2.5 -26,-0.2 -26,-0.2 -0.887 70.8-101.5-137.1 166.7 27.9 17.7 80.2 229 568 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 -28,-0.3 5,-0.2 0.869 118.5 54.4 -50.7 -44.3 29.2 14.1 80.1 230 569 A E H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 111.1 42.9 -60.6 -48.8 31.4 14.8 77.1 231 570 A K H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.893 113.0 54.6 -62.7 -40.6 33.2 17.7 78.8 232 571 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.854 110.5 45.6 -63.2 -35.5 33.4 15.6 82.0 233 572 A Q H X S+ 0 0 47 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.895 110.8 52.4 -76.0 -39.7 35.1 12.8 80.1 234 573 A Q H X S+ 0 0 96 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.919 112.6 45.9 -58.3 -45.5 37.5 15.2 78.4 235 574 A I H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.939 113.8 48.9 -63.6 -43.9 38.4 16.6 81.8 236 575 A S H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.901 108.7 52.9 -65.7 -40.0 38.8 13.2 83.2 237 576 A E H X S+ 0 0 56 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.881 109.8 48.5 -63.9 -40.1 40.9 11.9 80.4 238 577 A R H X S+ 0 0 146 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.940 113.4 47.0 -61.5 -49.8 43.4 14.8 80.8 239 578 A I H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.909 112.4 49.9 -59.8 -43.1 43.6 14.3 84.5 240 579 A L H <>S+ 0 0 0 -4,-2.9 5,-1.5 1,-0.2 6,-0.5 0.892 109.8 49.6 -69.4 -36.8 44.1 10.5 84.0 241 580 A K H ><5S+ 0 0 128 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.933 107.4 56.0 -62.2 -41.1 46.9 11.0 81.4 242 581 A E H 3<5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.707 109.5 44.5 -66.9 -23.3 48.6 13.4 83.7 243 582 A M T 3<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.436 121.5-118.7 -92.1 -8.3 48.7 10.8 86.5 244 583 A E T < 5S+ 0 0 168 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.990 78.5 119.4 71.2 65.3 49.8 8.5 83.7 245 584 A L < 0 0 24 -5,-1.5 -4,-0.2 -35,-0.0 -5,-0.1 0.538 360.0 360.0-128.2 -29.2 47.0 5.9 83.6 246 585 A I 0 0 46 -6,-0.5 -5,-0.2 -9,-0.2 -8,-0.1 0.598 360.0 360.0-121.3 360.0 45.6 6.3 80.1