==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCINE BETAINE-BINDING PROTEIN 23-DEC-09 3L6H . COMPND 2 MOLECULE: BETAINE ABC TRANSPORTER PERMEASE AND SUBSTRATE BI . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR R.P.A.BERNTSSON,J.C.WOLTERS,N.GUL,A.KARASAWA,A.M.W.H.THUNNIS . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 11.0 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 . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 1 0 1 0 1 1 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 320 A D 0 0 175 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 80.8 20.6 -21.1 20.4 2 321 A K + 0 0 81 27,-0.4 29,-1.5 204,-0.0 2,-0.3 -0.611 360.0 169.0 -81.4 137.4 19.0 -19.0 23.1 3 322 A K E +a 31 0A 111 -2,-0.3 2,-0.3 27,-0.2 29,-0.2 -0.994 16.2 176.3-154.1 142.8 21.4 -18.0 25.8 4 323 A V E -a 32 0A 4 27,-2.0 29,-2.2 -2,-0.3 2,-0.5 -0.957 14.6-157.4-158.6 141.0 21.7 -15.6 28.8 5 324 A D E -a 33 0A 41 -2,-0.3 47,-2.8 27,-0.2 48,-1.1 -0.956 23.0-179.1-123.3 109.7 24.2 -14.9 31.6 6 325 A L E -ab 34 53A 0 27,-3.1 29,-1.2 -2,-0.5 2,-0.3 -0.812 12.7-159.4-115.4 149.0 22.8 -13.3 34.8 7 326 A V E +a 35 0A 2 46,-1.9 48,-0.5 -2,-0.3 2,-0.3 -0.884 14.8 167.9-120.9 157.3 24.3 -12.1 38.1 8 327 A Y E -a 36 0A 38 27,-2.0 29,-2.9 -2,-0.3 2,-0.2 -0.945 27.0-112.1-156.5 172.7 22.7 -11.5 41.5 9 328 A M - 0 0 1 -2,-0.3 2,-1.8 27,-0.2 29,-0.1 -0.731 34.6-100.4-113.9 163.2 23.5 -10.8 45.1 10 329 A N S S+ 0 0 103 27,-0.4 2,-0.4 -2,-0.2 133,-0.3 -0.428 76.6 118.8 -86.5 64.0 23.1 -12.9 48.3 11 330 A W S >> S- 0 0 13 -2,-1.8 4,-1.8 1,-0.1 3,-0.8 -0.981 71.9-123.0-121.5 140.5 20.0 -11.2 49.7 12 331 A D H 3> S+ 0 0 43 -2,-0.4 4,-1.5 1,-0.3 5,-0.1 0.822 111.6 57.4 -52.9 -34.6 16.8 -13.2 50.2 13 332 A S H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.898 109.4 42.5 -62.1 -43.6 14.9 -10.8 47.9 14 333 A E H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.709 106.9 60.5 -82.3 -22.8 17.3 -11.3 44.9 15 334 A V H X S+ 0 0 24 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.903 108.5 46.7 -64.5 -41.6 17.5 -15.1 45.4 16 335 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.942 115.0 44.4 -63.5 -50.0 13.7 -15.1 44.8 17 336 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.914 113.4 48.4 -66.7 -45.5 13.7 -12.8 41.8 18 337 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.865 113.2 48.9 -64.7 -36.1 16.7 -14.4 39.9 19 338 A N H X S+ 0 0 30 -4,-1.6 4,-2.1 -5,-0.2 5,-0.2 0.857 110.8 50.1 -70.9 -36.0 15.2 -17.9 40.4 20 339 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.926 115.5 42.4 -65.5 -45.7 11.8 -16.8 39.1 21 340 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.918 113.9 52.0 -67.7 -44.6 13.3 -15.2 36.0 22 341 A T H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.939 112.7 43.6 -57.7 -52.0 15.7 -18.1 35.4 23 342 A Q H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 113.7 51.6 -63.7 -40.9 13.0 -20.8 35.6 24 343 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.951 112.7 45.3 -58.0 -50.4 10.6 -18.8 33.4 25 344 A M H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-0.5 0.869 110.5 54.3 -64.5 -37.6 13.3 -18.3 30.8 26 345 A K H ><5S+ 0 0 97 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.884 104.3 54.7 -61.6 -40.4 14.3 -22.0 31.0 27 346 A E H 3<5S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 107.1 52.7 -65.9 -21.2 10.6 -22.9 30.3 28 347 A H T <<5S- 0 0 62 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.035 129.5 -92.4-103.5 24.3 10.8 -20.7 27.2 29 348 A G T < 5S+ 0 0 53 -3,-1.6 -27,-0.4 1,-0.2 2,-0.2 0.495 76.2 142.0 88.4 6.2 14.0 -22.4 25.8 30 349 A F < - 0 0 11 -5,-2.4 2,-0.8 -6,-0.1 -1,-0.2 -0.577 49.6-136.2 -81.5 141.7 16.8 -20.3 27.2 31 350 A D E -a 3 0A 100 -29,-1.5 -27,-2.0 -2,-0.2 2,-0.5 -0.897 35.4-162.8 -89.2 111.2 20.1 -21.8 28.4 32 351 A V E -a 4 0A 16 -2,-0.8 2,-0.4 -29,-0.2 -27,-0.2 -0.873 18.3-173.6-111.1 129.4 20.5 -19.8 31.7 33 352 A K E -a 5 0A 129 -29,-2.2 -27,-3.1 -2,-0.5 2,-0.3 -0.973 9.6-172.4-116.8 130.2 23.7 -19.3 33.7 34 353 A T E -a 6 0A 55 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.942 6.6-170.9-124.1 147.3 23.5 -17.5 37.1 35 354 A T E -a 7 0A 52 -29,-1.2 -27,-2.0 -2,-0.3 2,-0.4 -0.987 17.3-140.0-138.5 125.7 26.3 -16.3 39.5 36 355 A A E +a 8 0A 35 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.736 37.1 162.5 -84.6 129.6 25.9 -15.0 43.1 37 356 A L - 0 0 43 -29,-2.9 -27,-0.4 -2,-0.4 2,-0.0 -0.921 42.7 -83.7-141.8 162.8 28.3 -12.0 43.8 38 357 A D > - 0 0 117 -2,-0.3 4,-2.4 -29,-0.1 3,-0.3 -0.352 51.9-104.8 -60.0 150.9 29.0 -9.1 46.1 39 358 A N H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.915 119.1 42.1 -43.6 -62.7 27.1 -5.9 45.2 40 359 A A H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.807 113.9 53.1 -60.5 -33.2 30.0 -4.0 43.7 41 360 A V H > S+ 0 0 59 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.861 105.7 52.6 -73.5 -38.0 31.2 -7.0 41.8 42 361 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -3,-0.3 5,-0.2 0.937 111.5 47.3 -60.0 -47.7 27.8 -7.7 40.2 43 362 A W H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.918 113.0 48.5 -58.0 -46.6 27.7 -4.1 38.9 44 363 A Q H X S+ 0 0 84 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.868 107.9 55.0 -62.9 -39.7 31.3 -4.4 37.6 45 364 A T H X>S+ 0 0 30 -4,-2.4 5,-2.2 2,-0.2 6,-1.1 0.904 111.8 42.5 -62.8 -44.4 30.6 -7.7 35.8 46 365 A V H ><5S+ 0 0 1 -4,-1.9 3,-0.6 4,-0.2 152,-0.3 0.898 113.1 54.5 -66.3 -40.5 27.6 -6.2 33.9 47 366 A A H 3<5S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.788 109.7 46.4 -64.3 -31.8 29.7 -3.0 33.2 48 367 A N H 3<5S- 0 0 99 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.584 114.7-116.2 -84.4 -14.1 32.6 -5.1 31.7 49 368 A G T <<5S+ 0 0 34 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.666 82.8 120.1 85.0 19.7 30.2 -7.1 29.6 50 369 A Q S - C 0 192A 8 -2,-0.8 5,-2.2 134,-0.2 134,-0.2 -0.758 33.7-133.6 -86.1 106.2 18.2 -0.8 44.1 59 378 A L E 5 - C 0 191A 12 132,-2.3 132,-2.7 -2,-0.9 2,-0.1 -0.894 49.0 -2.7-132.4 156.1 17.9 2.8 42.9 60 379 A P T 5S+ 0 0 85 0, 0.0 7,-0.2 0, 0.0 130,-0.1 -0.909 129.4 10.3 -83.0 -35.0 18.3 5.7 43.2 61 380 A N T > 5S+ 0 0 35 1,-0.2 3,-1.4 2,-0.1 4,-0.3 0.856 116.5 60.9 -79.7 -40.6 19.7 6.0 46.7 62 381 A T T 3 5S+ 0 0 10 1,-0.3 3,-0.3 2,-0.1 -3,-0.2 0.917 120.5 24.4 -60.9 -46.4 20.5 2.4 47.9 63 382 A H T 3> S+ 0 0 88 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.860 70.2 56.9 -64.4 -37.0 24.1 5.3 44.4 65 384 A T H > S+ 0 0 81 -4,-0.3 4,-1.3 -3,-0.3 -1,-0.2 0.894 110.9 43.8 -59.6 -40.5 27.8 4.6 44.8 66 385 A Q H > S+ 0 0 23 -3,-0.2 4,-3.4 2,-0.2 5,-0.4 0.867 111.8 53.0 -74.0 -37.6 27.6 1.9 42.1 67 386 A W H X S+ 0 0 94 -4,-2.2 4,-1.6 1,-0.2 5,-0.2 0.868 108.2 50.8 -65.3 -38.0 25.5 4.1 39.8 68 387 A Q H < S+ 0 0 151 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.876 119.8 36.8 -64.3 -37.6 28.0 6.9 40.1 69 388 A K H < S+ 0 0 139 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.922 135.3 17.3 -81.0 -48.1 30.9 4.5 39.2 70 389 A Y H >< S+ 0 0 26 -4,-3.4 3,-1.4 1,-0.1 4,-0.2 0.410 92.1 101.4-111.4 -1.2 29.2 2.2 36.6 71 390 A G G >< S+ 0 0 10 -4,-1.6 3,-0.9 -5,-0.4 5,-0.2 0.827 83.6 50.6 -57.4 -37.5 26.1 4.0 35.5 72 391 A K G 3 S+ 0 0 190 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.630 106.2 57.4 -75.7 -15.1 27.6 5.2 32.2 73 392 A S G < S+ 0 0 56 -3,-1.4 125,-0.6 -4,-0.0 2,-0.3 0.283 105.5 51.4-101.4 8.5 28.8 1.7 31.3 74 393 A V E < S-D 197 0A 4 -3,-0.9 2,-0.6 -4,-0.2 123,-0.2 -0.887 78.6-113.3-138.1 169.1 25.4 -0.0 31.4 75 394 A D E -D 196 0A 45 121,-2.8 121,-2.1 -2,-0.3 2,-0.7 -0.928 23.9-148.2-107.6 111.5 21.8 0.3 30.1 76 395 A L E -D 195 0A 78 -2,-0.6 119,-0.2 119,-0.2 -5,-0.0 -0.700 14.6-177.0 -77.2 115.3 19.2 1.0 32.8 77 396 A L E - 0 0 30 117,-2.5 118,-0.2 -2,-0.7 -1,-0.2 0.604 42.6-115.3 -90.3 -14.4 15.9 -0.7 31.6 78 397 A G E -D 194 0A 17 116,-0.9 116,-2.1 113,-0.0 -1,-0.3 -0.401 51.0 -18.2 109.9 177.2 13.9 0.7 34.6 79 398 A P E +D 193 0A 58 0, 0.0 114,-0.3 0, 0.0 3,-0.1 -0.278 37.2 175.8 -60.5 134.8 11.9 -0.6 37.6 80 399 A N E S+ 0 0 3 112,-3.2 136,-2.5 1,-0.3 2,-0.3 0.532 82.1 29.5-107.4 -19.1 10.9 -4.3 37.9 81 400 A L E S-D 192 0A 1 111,-1.7 111,-2.5 134,-0.2 3,-0.4 -0.931 81.3-151.3-141.0 118.8 9.4 -3.9 41.4 82 401 A K E + 0 0 163 134,-0.4 136,-0.3 -2,-0.3 109,-0.2 -0.590 66.6 25.5 -93.0 147.7 8.0 -0.6 42.5 83 402 A G E S+ 0 0 43 107,-0.4 108,-0.2 -2,-0.2 -1,-0.2 0.840 71.6 157.6 77.1 37.2 7.8 0.8 46.0 84 403 A A E -D 190 0A 6 106,-1.4 106,-0.6 -3,-0.4 2,-0.3 -0.363 19.8-162.7 -78.2 168.9 10.7 -0.9 47.8 85 404 A K E -E 166 0B 104 81,-1.9 81,-2.6 104,-0.1 2,-0.3 -0.996 17.6-160.4-156.0 158.3 12.2 0.6 50.9 86 405 A V E +E 165 0B 12 -2,-0.3 2,-0.3 100,-0.3 79,-0.2 -0.942 33.6 114.8-132.3 150.1 15.3 0.6 53.2 87 406 A G E -E 164 0B 5 77,-2.1 77,-2.2 -2,-0.3 2,-0.5 -0.975 63.8 -52.7 171.4 178.9 15.6 1.8 56.8 88 407 A F E -E 163 0B 0 91,-0.3 91,-2.9 -2,-0.3 2,-0.4 -0.716 53.1-165.3 -78.8 124.8 16.2 1.2 60.5 89 408 A V E +EF 162 178B 0 73,-2.4 73,-2.5 -2,-0.5 89,-0.2 -0.933 9.8 177.5-117.3 136.7 13.8 -1.5 61.7 90 409 A V E - F 0 177B 0 87,-2.5 87,-2.4 -2,-0.4 71,-0.1 -0.903 39.7 -89.4-129.7 158.3 12.9 -2.3 65.3 91 410 A P E > - F 0 176B 0 0, 0.0 3,-1.8 0, 0.0 85,-0.3 -0.427 41.1-118.8 -60.9 147.5 10.6 -4.8 67.1 92 411 A S T 3 S+ 0 0 38 83,-2.9 84,-0.1 1,-0.3 86,-0.0 0.684 109.8 68.5 -67.2 -17.9 7.2 -3.2 67.7 93 412 A Y T 3 S+ 0 0 65 82,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.624 77.1 101.8 -74.5 -13.7 7.6 -3.5 71.4 94 413 A M S < S- 0 0 6 -3,-1.8 -4,-0.1 1,-0.1 64,-0.0 -0.562 73.1-138.1 -73.3 135.5 10.4 -0.9 71.4 95 414 A N S S+ 0 0 155 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.683 74.6 93.7 -69.1 -21.4 9.2 2.6 72.6 96 415 A V + 0 0 10 1,-0.1 -2,-0.1 3,-0.0 3,-0.1 -0.525 41.1 172.8 -79.0 140.5 11.0 4.6 69.9 97 416 A N + 0 0 96 -2,-0.2 83,-2.4 1,-0.2 2,-0.3 0.490 62.0 44.9-121.0 -10.6 9.3 5.5 66.6 98 417 A S B >> S-i 180 0C 16 81,-0.3 3,-1.3 1,-0.1 4,-0.5 -0.958 75.0-122.5-137.1 153.6 11.8 7.8 64.9 99 418 A I G >4 S+ 0 0 1 81,-2.5 3,-0.6 -2,-0.3 82,-0.1 0.788 114.8 61.1 -63.4 -27.8 15.5 7.9 64.2 100 419 A E G 34 S+ 0 0 101 80,-0.3 -1,-0.3 1,-0.2 81,-0.1 0.700 98.0 58.7 -67.9 -23.5 15.5 11.2 66.1 101 420 A D G <4 S+ 0 0 85 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.621 78.0 110.7 -83.0 -17.2 14.3 9.5 69.2 102 421 A L << + 0 0 0 -3,-0.6 -3,-0.0 -4,-0.5 0, 0.0 -0.392 29.6 142.7 -64.9 133.3 17.2 7.0 69.6 103 422 A T S S- 0 0 77 -2,-0.1 -1,-0.1 30,-0.1 -2,-0.0 0.443 74.1 -14.7-130.4 -81.5 19.5 7.7 72.5 104 423 A N S > S+ 0 0 117 3,-0.1 3,-0.6 4,-0.0 2,-0.1 0.106 90.8 127.3-123.9 20.7 21.0 4.8 74.5 105 424 A Q G > S+ 0 0 35 1,-0.2 3,-2.2 2,-0.1 4,-0.4 -0.373 70.2 13.4 -75.2 155.8 19.0 1.8 73.4 106 425 A A G > S- 0 0 21 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.771 127.9 -65.3 54.6 35.9 20.5 -1.5 72.0 107 426 A N G < S- 0 0 139 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.767 84.9 -76.7 58.0 28.2 24.0 -0.6 73.2 108 427 A K G < S+ 0 0 73 -3,-2.2 29,-1.8 1,-0.2 2,-0.4 0.840 99.4 137.7 50.0 40.7 24.0 2.3 70.7 109 428 A T E < -g 137 0B 16 -3,-1.5 2,-0.6 -4,-0.4 52,-0.5 -0.935 50.6-151.5-122.5 133.9 24.5 -0.3 67.9 110 429 A I E -g 138 0B 0 27,-2.5 29,-2.7 -2,-0.4 2,-0.8 -0.936 23.1-140.0 -97.4 119.3 23.0 -0.7 64.4 111 430 A T E -gh 139 162B 29 50,-3.1 52,-1.8 -2,-0.6 2,-0.1 -0.743 33.7-178.3 -84.3 109.9 23.1 -4.4 63.5 112 431 A G - 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0 0 3 -2,-0.1 3,-0.9 -156,-0.1 4,-0.2 -0.958 58.5-130.4-159.0 143.1 11.4 -9.2 53.1 169 488 A W G > S+ 0 0 31 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.676 93.9 81.0 -66.7 -20.2 9.8 -12.3 54.8 170 489 A M G >> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 3,-1.0 0.731 81.2 63.2 -66.2 -24.7 10.6 -11.1 58.3 171 490 A F G <4 S+ 0 0 56 -3,-0.9 -1,-0.3 1,-0.2 5,-0.3 0.735 104.9 46.9 -72.1 -23.0 7.6 -8.7 58.5 172 491 A N G <4 S+ 0 0 132 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.284 119.2 41.9 -97.5 5.9 5.3 -11.7 58.2 173 492 A K T <4 S+ 0 0 143 -3,-1.0 2,-0.2 1,-0.3 -2,-0.2 0.704 119.3 32.0-113.0 -50.6 7.2 -13.6 60.9 174 493 A Y S < S- 0 0 54 -4,-3.1 2,-1.0 -83,-0.0 -1,-0.3 -0.706 82.4-111.6-108.4 161.3 8.0 -11.0 63.5 175 494 A D + 0 0 123 -2,-0.2 -83,-2.9 -3,-0.1 -82,-0.3 -0.801 58.8 156.6 -92.4 96.2 6.1 -7.9 64.7 176 495 A L E -F 91 0B 19 -2,-1.0 2,-0.3 -85,-0.3 -87,-0.0 -0.727 26.5-163.3-121.3 167.1 8.4 -5.1 63.4 177 496 A K E -F 90 0B 46 -87,-2.4 -87,-2.5 -2,-0.2 2,-0.3 -0.994 22.4-117.4-150.0 149.2 8.2 -1.4 62.4 178 497 A Y E -F 89 0B 62 -2,-0.3 2,-0.3 -89,-0.2 -89,-0.2 -0.672 29.9-125.8 -80.7 138.8 10.3 1.1 60.5 179 498 A L - 0 0 8 -91,-2.9 -91,-0.3 -2,-0.3 -81,-0.3 -0.691 35.4-102.5 -79.1 137.9 11.7 4.1 62.4 180 499 A A B -i 98 0C 53 -83,-2.4 -81,-2.5 -2,-0.3 -80,-0.3 -0.299 29.2-160.0 -58.7 145.8 10.7 7.5 60.8 181 500 A D > + 0 0 36 -83,-0.2 3,-1.7 -82,-0.1 5,-0.1 -0.660 16.5 171.7-132.7 71.9 13.5 9.1 58.8 182 501 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.714 81.8 52.4 -61.1 -23.7 12.6 12.8 58.4 183 502 A K T 3 S- 0 0 115 -57,-0.0 -2,-0.0 0, 0.0 -53,-0.0 0.601 102.0-137.6 -83.7 -14.7 16.0 13.6 56.9 184 503 A G X + 0 0 19 -3,-1.7 3,-1.6 3,-0.1 4,-0.1 0.670 55.8 141.0 71.0 20.3 15.5 10.9 54.3 185 504 A T T 3 + 0 0 16 1,-0.3 -59,-0.2 2,-0.1 -60,-0.1 0.650 67.9 57.2 -73.6 -14.7 19.1 9.6 54.6 186 505 A M T 3 S- 0 0 1 1,-0.3 -100,-0.3 -5,-0.1 -1,-0.3 0.331 124.4 -89.9 -92.0 6.9 17.9 5.9 54.3 187 506 A G < - 0 0 17 -3,-1.6 -1,-0.3 -65,-0.1 -101,-0.2 0.067 31.7-148.9 94.5 151.7 16.2 6.7 50.9 188 507 A T S S+ 0 0 125 -3,-0.1 -3,-0.1 -103,-0.1 -1,-0.1 0.658 83.3 24.8-130.6 -34.1 12.7 7.8 50.1 189 508 A S S S+ 0 0 81 2,-0.1 2,-0.2 -104,-0.0 -104,-0.1 -0.472 75.7 168.5-138.7 68.0 11.5 6.4 46.7 190 509 A E E - D 0 84A 3 -106,-0.6 -106,-1.4 -130,-0.1 -107,-0.4 -0.562 9.2-179.2 -83.7 140.6 13.4 3.3 46.0 191 510 A N E -C 59 0A 38 -132,-2.7 -132,-2.3 -2,-0.2 2,-0.5 -0.951 31.7-117.1-127.6 155.1 12.6 0.8 43.2 192 511 A I E -CD 58 81A 0 -111,-2.5 -112,-3.2 -2,-0.3 -111,-1.7 -0.838 43.9-163.9 -88.5 128.8 14.3 -2.5 42.3 193 512 A N E -CD 57 79A 11 -136,-2.9 -136,-2.3 -2,-0.5 2,-0.4 -0.749 20.1-129.0-119.7 159.7 15.6 -2.0 38.7 194 513 A T E - D 0 78A 2 -116,-2.1 -117,-2.5 -2,-0.3 -116,-0.9 -0.905 24.8-178.5-105.2 131.5 16.9 -4.1 35.8 195 514 A I E -CD 54 76A 0 -141,-2.2 -141,-2.5 -2,-0.4 2,-0.3 -0.973 2.8-170.7-125.9 147.3 20.2 -3.2 34.1 196 515 A V E -CD 53 75A 0 -121,-2.1 -121,-2.8 -2,-0.4 -143,-0.3 -0.913 32.1 -91.5-131.3 160.3 21.8 -4.9 31.1 197 516 A R E > - D 0 74A 32 -145,-2.4 3,-1.4 -2,-0.3 4,-0.3 -0.330 49.1 -99.3 -66.4 150.9 25.2 -4.7 29.4 198 517 A K T 3 S+ 0 0 104 -125,-0.6 -1,-0.1 -152,-0.3 -125,-0.0 -0.581 111.4 33.4 -71.2 132.9 25.6 -2.3 26.6 199 518 A G T 3> S+ 0 0 23 -2,-0.3 4,-3.4 -3,-0.1 5,-0.3 0.159 84.6 105.5 105.6 -17.4 25.3 -4.2 23.3 200 519 A L H <> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 8,-0.3 0.905 75.9 57.7 -61.5 -43.5 22.8 -6.7 24.5 201 520 A K H 4 S+ 0 0 125 -4,-0.3 -1,-0.2 1,-0.2 8,-0.1 0.900 118.6 31.7 -51.2 -46.2 19.9 -5.0 22.6 202 521 A K H 4 S+ 0 0 170 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.911 128.3 37.1 -79.1 -46.4 21.9 -5.5 19.4 203 522 A E H < S+ 0 0 116 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.863 131.7 20.9 -81.9 -39.8 23.7 -8.7 20.1 204 523 A N X + 0 0 30 -4,-2.7 4,-2.1 -5,-0.3 3,-0.5 -0.578 67.7 164.1-130.4 69.0 21.1 -10.7 22.1 205 524 A P H > S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.788 72.8 58.2 -60.4 -31.6 17.7 -9.2 21.2 206 525 A E H > S+ 0 0 91 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.896 110.7 41.7 -67.1 -42.2 15.7 -12.1 22.6 207 526 A A H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.893 111.0 57.6 -69.8 -41.7 17.2 -11.9 26.1 208 527 A Y H X S+ 0 0 30 -4,-2.1 4,-2.3 -8,-0.3 -2,-0.2 0.903 104.6 50.8 -55.1 -47.3 17.0 -8.1 26.1 209 528 A K H X S+ 0 0 98 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.884 111.8 46.4 -61.6 -42.6 13.2 -8.0 25.5 210 529 A V H X S+ 0 0 6 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.931 114.1 47.7 -65.1 -47.3 12.5 -10.5 28.3 211 530 A L H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.832 111.8 51.6 -62.4 -34.2 14.8 -8.6 30.7 212 531 A D H < S+ 0 0 78 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.853 114.7 41.8 -69.5 -36.7 13.1 -5.3 29.7 213 532 A K H < S+ 0 0 86 -4,-1.8 -2,-0.2 39,-0.3 -1,-0.2 0.734 83.8 118.9 -85.2 -24.9 9.6 -6.7 30.3 214 533 A F < + 0 0 3 -4,-2.1 2,-0.3 38,-0.2 -20,-0.1 -0.174 35.9 143.5 -48.8 123.2 10.3 -8.5 33.6 215 534 A N + 0 0 93 34,-0.0 2,-0.3 -134,-0.0 -134,-0.2 -0.968 13.7 155.7-159.3 151.6 8.2 -7.1 36.4 216 535 A W - 0 0 12 -136,-2.5 -134,-0.4 -2,-0.3 2,-0.2 -0.944 32.8 -93.7-163.6-179.7 6.3 -8.2 39.6 217 536 A T > - 0 0 75 -2,-0.3 4,-2.1 -136,-0.1 5,-0.2 -0.528 30.2-107.4-108.1 167.8 5.0 -7.0 43.0 218 537 A T H > S+ 0 0 41 -136,-0.3 4,-2.3 1,-0.2 5,-0.1 0.910 120.9 51.3 -52.1 -47.1 6.1 -6.9 46.6 219 538 A K H > S+ 0 0 156 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.842 106.4 53.9 -64.3 -36.1 3.6 -9.6 47.4 220 539 A D H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 111.4 44.3 -63.1 -48.4 4.9 -11.9 44.7 221 540 A M H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.865 112.0 53.8 -63.9 -38.0 8.4 -11.7 46.0 222 541 A E H X S+ 0 0 64 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.906 106.7 53.2 -60.4 -41.7 7.1 -12.1 49.5 223 542 A A H X S+ 0 0 48 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.896 112.1 43.0 -61.2 -44.8 5.3 -15.3 48.3 224 543 A V H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.920 114.3 49.9 -69.1 -45.5 8.5 -16.8 46.9 225 544 A M H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.888 107.1 57.0 -58.6 -41.7 10.7 -15.8 49.9 226 545 A L H X S+ 0 0 61 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.910 106.1 49.2 -54.1 -48.8 8.0 -17.4 52.2 227 546 A D H <>S+ 0 0 37 -4,-1.5 5,-2.0 1,-0.2 3,-0.4 0.897 109.2 51.7 -60.5 -43.3 8.3 -20.8 50.4 228 547 A I H ><5S+ 0 0 38 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.888 107.4 52.9 -63.0 -39.5 12.1 -20.7 50.6 229 548 A Q H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 105.1 56.7 -64.4 -27.8 11.9 -20.0 54.4 230 549 A N T 3<5S- 0 0 115 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.182 130.4 -87.0 -94.5 16.0 9.6 -23.0 54.8 231 550 A G T < 5S+ 0 0 66 -3,-1.3 2,-0.2 1,-0.3 -3,-0.2 0.285 83.8 131.8 105.4 -9.0 12.1 -25.5 53.3 232 551 A K < - 0 0 81 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.538 60.2-114.8 -74.9 139.7 11.3 -25.4 49.6 233 552 A T > - 0 0 68 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.333 27.2-111.4 -66.4 156.2 14.4 -25.0 47.3 234 553 A P H > S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.877 117.4 54.5 -57.7 -37.0 14.6 -21.7 45.4 235 554 A E H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.954 112.4 39.9 -59.8 -54.8 14.0 -23.6 42.1 236 555 A E H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.787 113.9 55.2 -70.9 -27.0 10.7 -25.3 43.3 237 556 A A H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.886 109.8 47.2 -66.2 -40.7 9.6 -22.1 45.0 238 557 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.918 111.1 51.1 -64.7 -44.9 10.1 -20.3 41.7 239 558 A K H X S+ 0 0 80 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.870 107.3 53.3 -61.1 -41.2 8.1 -23.0 39.8 240 559 A N H X S+ 0 0 43 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.906 111.5 44.7 -61.3 -44.6 5.2 -22.9 42.3 241 560 A W H X S+ 0 0 13 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.891 111.7 53.1 -68.1 -40.1 4.8 -19.1 41.8 242 561 A I H < S+ 0 0 1 -4,-2.2 3,-0.4 2,-0.2 7,-0.3 0.940 110.1 46.8 -61.2 -50.0 5.1 -19.3 38.0 243 562 A K H >< S+ 0 0 133 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.932 112.8 50.6 -53.8 -49.8 2.4 -21.9 37.7 244 563 A D H 3< S+ 0 0 121 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.740 124.0 29.3 -62.1 -27.9 0.1 -19.9 40.0 245 564 A H T 3X S+ 0 0 52 -4,-1.5 4,-1.9 -3,-0.4 3,-0.3 -0.282 78.1 143.5-127.1 47.0 0.7 -16.7 37.9 246 565 A Q H <> S+ 0 0 63 -3,-1.2 4,-2.1 1,-0.2 -1,-0.1 0.852 70.2 49.5 -61.5 -41.8 1.3 -18.3 34.5 247 566 A K H > S+ 0 0 141 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.835 109.9 52.4 -71.0 -31.0 -0.5 -15.6 32.4 248 567 A E H 4 S+ 0 0 94 -3,-0.3 3,-0.4 1,-0.2 4,-0.3 0.890 111.5 47.5 -65.0 -40.5 1.4 -12.8 34.2 249 568 A V H >< S+ 0 0 0 -4,-1.9 3,-1.4 -7,-0.3 4,-0.4 0.854 102.9 62.2 -69.4 -36.9 4.7 -14.7 33.4 250 569 A D H >< S+ 0 0 60 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.775 90.8 68.8 -60.7 -28.5 3.7 -15.2 29.7 251 570 A K G >< S+ 0 0 108 -4,-0.8 3,-0.8 -3,-0.4 -1,-0.3 0.747 89.7 62.6 -63.7 -25.3 3.6 -11.4 29.2 252 571 A W G < S+ 0 0 5 -3,-1.4 -39,-0.3 -4,-0.3 -1,-0.2 0.762 103.4 49.7 -69.0 -25.1 7.4 -11.2 29.6 253 572 A F G < 0 0 47 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.290 360.0 360.0-104.0 8.5 8.0 -13.4 26.5 254 573 A K < 0 0 160 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.687 360.0 360.0-114.4 360.0 5.7 -11.6 24.0