==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-08 3EMU . COMPND 2 MOLECULE: LEUCINE RICH REPEAT AND PHOSPHATASE DOMAIN . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR J.B.BONANNO,M.GILMORE,K.T.BAIN,S.HU,S.OZYURT,S.WASSERMAN, . 144 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.5 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 10 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 0 0 1 0 0 0 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 307 A T 0 0 148 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -30.8 34.2 9.4 24.0 2 308 A F > + 0 0 167 1,-0.2 3,-2.4 2,-0.2 4,-0.2 0.895 360.0 66.9 -63.0 -39.3 37.7 9.2 22.5 3 309 A P G > S+ 0 0 102 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.848 88.6 67.3 -53.9 -35.9 36.5 9.9 18.9 4 310 A T G 3 S+ 0 0 63 -3,-0.4 17,-0.3 1,-0.3 14,-0.2 0.688 90.6 65.0 -55.6 -20.8 35.5 13.4 19.9 5 311 A L G < S+ 0 0 83 -3,-2.4 -1,-0.3 -4,-0.3 -3,-0.1 0.539 99.1 57.7 -84.3 -7.7 39.2 14.2 20.3 6 312 A S S < S- 0 0 48 -3,-2.0 15,-0.1 -4,-0.2 16,-0.1 -0.980 78.0-124.0-124.8 136.8 40.1 13.8 16.6 7 313 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.205 32.2-118.0 -59.9 163.5 38.9 15.4 13.4 8 314 A T E -A 16 0A 44 8,-3.0 8,-3.3 111,-0.0 2,-0.4 -0.930 14.7-131.7-109.8 129.5 37.6 13.1 10.7 9 315 A Q E -A 15 0A 90 -2,-0.5 6,-0.3 6,-0.2 3,-0.1 -0.668 22.9-177.6 -79.0 128.8 39.2 12.9 7.2 10 316 A I E - 0 0 10 4,-3.9 2,-0.3 1,-0.6 -1,-0.2 0.923 67.1 -25.1 -96.2 -51.8 36.5 13.2 4.6 11 317 A I E > S-A 14 0A 29 3,-0.6 3,-2.1 1,-0.0 -1,-0.6 -0.829 104.0 -49.4-144.4 175.6 38.5 12.7 1.3 12 318 A Q T 3 S+ 0 0 127 -2,-0.3 3,-0.1 1,-0.3 63,-0.0 -0.201 127.9 7.5 -59.1 136.9 42.2 13.4 0.9 13 319 A Y T 3 S+ 0 0 49 1,-0.1 68,-3.2 18,-0.1 2,-0.5 0.298 109.0 102.8 74.9 -8.0 43.3 16.9 2.2 14 320 A I E < +Ab 11 81A 0 -3,-2.1 -4,-3.9 66,-0.2 -3,-0.6 -0.927 45.4 176.8-117.4 120.8 39.8 17.5 3.8 15 321 A H E -Ab 9 82A 2 66,-2.4 68,-3.5 -2,-0.5 2,-0.5 -0.957 16.3-151.9-128.2 138.2 39.2 17.1 7.5 16 322 A L E +Ab 8 83A 0 -8,-3.3 -8,-3.0 -2,-0.4 2,-0.2 -0.928 34.0 137.1-110.8 125.3 36.0 17.8 9.4 17 323 A G E - b 0 84A 0 66,-2.7 68,-1.2 -2,-0.5 2,-0.3 -0.844 40.8-108.0-151.2-170.0 36.2 18.9 13.1 18 324 A S E > - b 0 85A 12 -2,-0.2 4,-2.2 66,-0.2 68,-0.2 -0.791 43.2 -98.2-122.0 163.2 35.2 21.0 16.2 19 325 A F T 4 S+ 0 0 135 66,-1.2 4,-0.2 67,-0.7 67,-0.1 0.900 124.2 56.1 -41.8 -47.2 36.8 23.8 18.2 20 326 A L T >4 S+ 0 0 88 66,-0.6 3,-1.7 1,-0.2 -1,-0.2 0.977 110.9 36.1 -51.7 -69.7 37.6 21.0 20.6 21 327 A N G >4 S+ 0 0 11 1,-0.3 3,-2.2 -17,-0.3 -1,-0.2 0.666 96.3 82.6 -72.9 -7.7 39.6 18.6 18.3 22 328 A A G 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.663 86.0 64.3 -57.9 -10.8 41.1 21.5 16.4 23 329 A H G < + 0 0 117 -3,-1.7 2,-2.3 -4,-0.2 -1,-0.3 0.503 67.5 106.5 -95.9 -5.4 43.5 21.4 19.4 24 330 A N <> + 0 0 46 -3,-2.2 4,-1.9 1,-0.2 3,-0.3 -0.502 47.7 174.7 -71.6 78.3 44.7 17.9 18.4 25 331 A V H > S+ 0 0 108 -2,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.757 72.6 53.7 -65.8 -29.0 48.1 19.4 17.3 26 332 A D H > S+ 0 0 96 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.873 107.1 51.6 -72.2 -40.5 49.7 16.1 16.6 27 333 A Y H > S+ 0 0 36 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.917 112.2 47.6 -55.8 -45.6 46.8 15.1 14.3 28 334 A I H ><>S+ 0 0 24 -4,-1.9 5,-2.2 2,-0.2 3,-0.5 0.951 114.2 46.5 -59.4 -51.2 47.3 18.4 12.5 29 335 A H H ><5S+ 0 0 136 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.918 113.3 47.7 -59.6 -47.7 51.0 17.8 12.2 30 336 A N H 3<5S+ 0 0 99 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.674 113.3 46.8 -72.3 -19.0 50.8 14.2 11.0 31 337 A N T <<5S- 0 0 53 -4,-1.2 49,-0.3 -3,-0.5 -1,-0.2 0.161 109.8-120.7-105.9 13.7 48.1 15.0 8.4 32 338 A N T < 5 + 0 0 114 -3,-1.2 48,-2.0 1,-0.2 2,-0.4 0.785 46.5 174.4 52.1 41.9 50.0 18.0 7.1 33 339 A I E < +c 80 0A 13 -5,-2.2 -1,-0.2 46,-0.2 48,-0.2 -0.620 16.3 159.6 -82.6 129.2 47.3 20.5 7.7 34 340 A S E + 0 0 28 46,-2.3 12,-2.6 -2,-0.4 2,-0.4 0.308 57.1 62.2-131.6 3.3 48.2 24.1 7.1 35 341 A S E -cd 81 46A 0 45,-1.3 47,-2.6 10,-0.2 2,-0.4 -0.996 55.9-166.2-134.9 146.8 44.9 25.6 6.7 36 342 A I E -cd 82 47A 13 10,-2.9 12,-2.0 -2,-0.4 2,-0.6 -0.995 6.1-159.5-133.3 128.6 41.9 26.1 8.9 37 343 A L E -cd 83 48A 0 45,-2.8 47,-2.9 -2,-0.4 2,-0.7 -0.929 11.8-158.0-108.1 113.5 38.4 27.1 7.9 38 344 A L E -cd 84 49A 59 10,-2.8 12,-3.0 -2,-0.6 2,-0.9 -0.828 1.7-159.9 -95.7 117.2 36.5 28.5 10.8 39 345 A V E d 0 50A 5 45,-3.5 47,-0.4 -2,-0.7 53,-0.2 -0.786 360.0 360.0-102.7 98.3 32.8 28.3 10.2 40 346 A G 0 0 59 10,-2.3 -1,-0.1 -2,-0.9 45,-0.1 -0.473 360.0 360.0 120.4 360.0 31.0 30.7 12.5 41 ! 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 42 354 A K > 0 0 102 0, 0.0 2,-4.2 0, 0.0 3,-2.1 0.000 360.0 360.0 360.0 126.3 46.2 29.8 16.0 43 355 A D T 3 + 0 0 119 1,-0.3 3,-0.0 3,-0.0 4,-0.0 0.022 360.0 79.4 -57.8 40.2 48.0 32.6 14.1 44 356 A Q T 3 S+ 0 0 97 -2,-4.2 -1,-0.3 2,-0.1 2,-0.2 0.435 88.7 59.4-116.6 -12.5 50.5 29.9 12.8 45 357 A C S < S- 0 0 44 -3,-2.1 2,-0.5 -9,-0.0 -10,-0.2 -0.642 96.5 -90.9-110.1 164.5 48.2 28.5 10.1 46 358 A D E -d 35 0A 66 -12,-2.6 -10,-2.9 -2,-0.2 2,-0.4 -0.703 57.1-169.9 -68.1 126.8 46.4 29.8 7.0 47 359 A I E +d 36 0A 68 -2,-0.5 2,-0.4 -12,-0.2 -10,-0.2 -0.974 24.8 176.7-132.6 137.0 43.0 30.9 8.3 48 360 A L E -d 37 0A 52 -12,-2.0 -10,-2.8 -2,-0.4 2,-0.5 -0.995 14.1-157.0-133.5 131.3 39.7 31.9 6.9 49 361 A R E -d 38 0A 57 -2,-0.4 2,-0.5 -12,-0.2 -10,-0.2 -0.921 4.5-153.1-106.6 129.0 36.7 32.7 9.0 50 362 A L E -d 39 0A 8 -12,-3.0 -10,-2.3 -2,-0.5 2,-1.9 -0.872 16.8-135.9 -98.3 133.2 33.2 32.5 7.6 51 363 A D + 0 0 127 -2,-0.5 2,-0.8 -12,-0.1 -12,-0.1 -0.408 43.8 151.5 -92.7 66.2 30.8 34.8 9.3 52 364 A I + 0 0 2 -2,-1.9 -2,-0.1 1,-0.2 3,-0.1 -0.848 6.1 158.8-102.7 111.7 27.8 32.6 9.7 53 365 A V + 0 0 107 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.591 59.8 25.8-105.8 -15.1 25.7 33.5 12.8 54 366 A S - 0 0 37 2,-0.2 6,-0.2 1,-0.1 5,-0.2 -0.975 60.9-129.2-147.0 165.2 22.3 32.0 12.0 55 367 A E S S+ 0 0 48 -2,-0.3 76,-0.2 4,-0.1 2,-0.1 0.570 84.6 89.5 -86.1 -10.5 20.4 29.3 10.1 56 368 A E S > S+ 0 0 129 2,-0.1 3,-0.7 3,-0.0 -2,-0.2 -0.425 85.2 2.8 -84.9 161.8 17.9 31.9 8.6 57 369 A G T 3 S- 0 0 55 1,-0.2 4,-0.1 -2,-0.1 3,-0.1 -0.371 105.7 -56.7 64.3-138.4 18.4 33.8 5.4 58 370 A H T 3> S+ 0 0 108 2,-0.1 4,-2.5 1,-0.1 -1,-0.2 -0.063 83.3 119.6-140.8 33.5 21.5 33.1 3.2 59 371 A Q H <> S+ 0 0 71 -3,-0.7 4,-1.1 -5,-0.2 -1,-0.1 0.853 85.9 46.0 -73.1 -35.3 24.7 33.7 5.1 60 372 A L H >> S+ 0 0 0 -6,-0.2 3,-0.7 2,-0.2 4,-0.6 0.976 113.7 47.6 -69.0 -53.4 25.8 30.1 4.5 61 373 A Y H >4 S+ 0 0 52 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.924 111.5 52.7 -43.8 -53.1 24.9 30.2 0.8 62 374 A D H 3< S+ 0 0 90 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.796 107.3 51.8 -61.2 -28.8 26.7 33.5 0.4 63 375 A S H S+ 0 0 88 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.936 111.8 50.7 -68.1 -41.6 32.3 30.4 -3.1 66 378 A N H > S+ 0 0 103 -4,-0.4 4,-2.0 1,-0.2 5,-0.2 0.915 112.7 47.8 -56.2 -41.7 34.9 31.9 -0.6 67 379 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.931 110.2 49.9 -64.8 -46.7 35.0 28.5 1.2 68 380 A I H X S+ 0 0 16 -4,-2.8 4,-3.2 -5,-0.2 5,-0.2 0.944 111.6 50.8 -59.8 -39.7 35.4 26.4 -1.9 69 381 A K H X S+ 0 0 155 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.913 110.2 46.3 -61.0 -50.3 38.2 28.7 -3.0 70 382 A F H X S+ 0 0 8 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.937 115.3 50.1 -62.9 -41.9 40.2 28.5 0.3 71 383 A I H >X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 3,-0.6 0.933 111.5 44.8 -62.8 -45.9 39.6 24.7 0.2 72 384 A I H 3X S+ 0 0 54 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.919 106.3 61.8 -69.9 -36.3 40.8 24.3 -3.4 73 385 A R H 3X S+ 0 0 92 -4,-3.1 4,-0.9 -5,-0.2 -1,-0.2 0.822 107.5 45.8 -50.3 -30.5 43.8 26.6 -2.7 74 386 A S H <<>S+ 0 0 0 -4,-1.0 5,-2.6 -3,-0.6 4,-0.3 0.854 108.9 51.7 -86.9 -38.1 44.8 24.0 -0.1 75 387 A I H ><5S+ 0 0 24 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.923 107.2 57.2 -58.4 -42.6 44.3 20.9 -2.3 76 388 A Q H 3<5S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.6 47.9 -55.1 -39.8 46.5 22.8 -4.8 77 389 A R T 3<5S- 0 0 88 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.495 113.9-121.0 -77.6 -5.5 49.4 23.0 -2.3 78 390 A K T < 5S+ 0 0 152 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.892 72.7 127.4 58.6 41.1 48.9 19.4 -1.6 79 391 A E < - 0 0 71 -5,-2.6 -1,-0.2 -66,-0.1 -46,-0.2 -0.922 62.5 -98.4-126.4 154.5 48.2 20.3 2.0 80 392 A G E - c 0 33A 1 -48,-2.0 -46,-2.3 -2,-0.3 -45,-1.3 -0.341 25.2-159.2 -69.4 143.6 45.4 19.5 4.5 81 393 A V E -bc 14 35A 0 -68,-3.2 -66,-2.4 -48,-0.2 2,-0.5 -0.995 7.4-152.2-119.2 135.1 42.6 21.9 5.3 82 394 A L E -bc 15 36A 0 -47,-2.6 -45,-2.8 -2,-0.4 2,-0.5 -0.917 6.7-158.4-107.9 124.7 40.7 21.5 8.6 83 395 A I E +bc 16 37A 0 -68,-3.5 -66,-2.7 -2,-0.5 2,-0.3 -0.896 20.3 174.3-110.3 122.3 37.1 22.7 8.6 84 396 A I E +bc 17 38A 12 -47,-2.9 -45,-3.5 -2,-0.5 2,-0.3 -0.942 22.3 180.0-135.4 144.6 35.6 23.4 12.0 85 397 A S E -b 18 0A 6 -68,-1.2 -66,-1.2 -2,-0.3 -45,-0.1 -0.824 52.4 -88.8-124.5 173.4 32.5 24.8 13.7 86 398 A G S S+ 0 0 55 -47,-0.4 -67,-0.7 -2,-0.3 -66,-0.6 0.929 126.9 14.9 -49.6 -57.9 31.9 25.2 17.6 87 399 A T S S- 0 0 107 -69,-0.2 -1,-0.2 -68,-0.1 -69,-0.1 0.642 97.1-133.5 -92.8 -15.4 30.4 21.8 18.1 88 400 A G S S+ 0 0 0 -71,-0.1 -2,-0.1 1,-0.0 -70,-0.1 0.567 83.5 92.4 81.6 10.6 31.6 20.4 14.7 89 401 A V S S+ 0 0 32 33,-0.1 34,-2.9 34,-0.1 -71,-0.0 0.740 89.4 17.3-112.1 -25.2 28.1 18.9 14.1 90 402 A N S > S+ 0 0 18 32,-0.2 4,-1.7 34,-0.1 34,-0.1 0.776 123.5 30.4-120.7 -77.5 26.0 21.5 12.1 91 403 A K H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.893 117.9 50.4 -63.2 -48.5 27.8 24.4 10.3 92 404 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 111.6 48.6 -60.7 -43.3 31.2 22.7 9.4 93 405 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 106.8 56.5 -65.2 -35.8 29.5 19.6 7.9 94 406 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.911 108.4 48.0 -57.8 -44.8 27.1 21.9 5.8 95 407 A I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.883 109.9 51.6 -60.9 -43.7 30.2 23.5 4.3 96 408 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.890 109.2 51.4 -63.3 -39.8 31.8 20.2 3.5 97 409 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.948 108.2 50.3 -58.2 -53.4 28.6 19.1 1.8 98 410 A A H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.911 110.5 52.6 -50.0 -47.2 28.6 22.3 -0.4 99 411 A F H X S+ 0 0 2 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.905 111.1 43.2 -56.2 -49.6 32.2 21.6 -1.3 100 412 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-0.6 0.829 105.9 62.3 -70.6 -35.3 31.6 17.9 -2.4 101 413 A M H <>S+ 0 0 3 -4,-2.6 5,-1.0 4,-0.2 4,-0.4 0.968 117.3 31.7 -46.8 -49.9 28.5 18.9 -4.3 102 414 A Y H <5S+ 0 0 118 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.935 122.6 46.2 -76.0 -49.0 30.8 21.1 -6.5 103 415 A Y H <5S+ 0 0 102 -4,-3.2 -3,-0.2 1,-0.2 -1,-0.2 0.666 129.1 21.6 -75.9 -22.2 34.0 19.1 -6.4 104 416 A Q T <5S- 0 0 62 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.171 104.4-116.1-130.3 16.2 32.5 15.6 -7.1 105 417 A R T 5 + 0 0 230 -3,-0.5 2,-0.4 -4,-0.4 -4,-0.2 0.933 56.5 161.2 42.3 66.1 29.2 16.7 -8.8 106 418 A L < - 0 0 45 -5,-1.0 -1,-0.2 -6,-0.6 -2,-0.1 -0.855 41.1-118.8-109.2 146.9 27.0 15.2 -6.1 107 419 A S > - 0 0 40 -2,-0.4 4,-2.1 1,-0.1 5,-0.3 -0.327 39.2-100.6 -63.5 165.9 23.4 16.1 -5.5 108 420 A F H > S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.962 122.4 46.8 -50.7 -53.6 22.7 17.5 -2.1 109 421 A I H > S+ 0 0 87 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.860 113.3 47.1 -64.1 -39.6 21.3 14.2 -0.8 110 422 A N H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.831 113.7 47.2 -72.6 -35.2 24.2 12.1 -2.1 111 423 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.880 113.1 51.7 -70.4 -40.5 26.8 14.6 -0.7 112 424 A F H X S+ 0 0 36 -4,-3.0 4,-3.2 -5,-0.3 -2,-0.2 0.957 110.8 46.6 -55.9 -51.0 24.8 14.5 2.5 113 425 A N H X S+ 0 0 69 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.864 109.6 53.3 -64.2 -42.2 24.8 10.7 2.7 114 426 A K H X S+ 0 0 86 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.908 113.8 42.2 -56.0 -48.9 28.5 10.4 1.9 115 427 A V H >X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-1.1 0.964 113.3 53.8 -64.6 -49.0 29.4 12.8 4.8 116 428 A Q H >< S+ 0 0 86 -4,-3.2 3,-0.5 1,-0.3 -2,-0.2 0.889 106.0 52.3 -49.6 -44.7 26.9 11.2 7.1 117 429 A G H 3< S+ 0 0 68 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.725 115.7 41.0 -73.1 -19.4 28.4 7.7 6.5 118 430 A L H << S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.672 127.9 30.9 -89.6 -16.2 31.8 9.0 7.3 119 431 A Y X< - 0 0 21 -4,-1.6 3,-2.0 -3,-0.5 -1,-0.2 -0.669 64.2-175.6-151.7 76.1 30.7 11.2 10.3 120 432 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.663 77.3 70.1 -63.9 -18.0 27.6 9.8 12.2 121 433 A L T 3 + 0 0 120 -33,-0.1 -5,-0.1 2,-0.0 0, 0.0 0.498 67.6 136.4 -77.5 -4.1 27.2 12.8 14.5 122 434 A I < + 0 0 17 -3,-2.0 -32,-0.2 -6,-0.2 2,-0.1 -0.135 19.7 162.8 -42.9 127.0 26.1 15.0 11.6 123 435 A D - 0 0 115 -34,-2.9 2,-0.5 2,-0.0 -34,-0.1 -0.558 11.4-177.5-154.1 83.9 23.1 17.2 12.7 124 436 A I - 0 0 16 -2,-0.1 -34,-0.1 -34,-0.1 5,-0.1 -0.720 29.3-116.4 -95.6 129.5 22.5 20.1 10.4 125 437 A E >> - 0 0 85 -2,-0.5 4,-1.5 1,-0.1 3,-1.2 -0.280 27.0-117.4 -57.4 142.7 19.7 22.6 11.2 126 438 A S H 3> S+ 0 0 88 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.797 111.7 60.8 -59.1 -33.0 17.0 22.7 8.5 127 439 A G H 3> S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.865 107.3 47.4 -58.7 -34.8 17.6 26.3 7.5 128 440 A F H <> S+ 0 0 1 -3,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.898 108.6 52.8 -70.6 -39.6 21.1 25.3 6.5 129 441 A I H X S+ 0 0 30 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.918 108.9 52.2 -57.9 -45.3 19.8 22.2 4.6 130 442 A L H X S+ 0 0 112 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.904 107.7 50.0 -58.0 -47.6 17.5 24.7 2.7 131 443 A Q H X S+ 0 0 7 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.798 107.9 54.6 -60.8 -31.5 20.5 26.9 1.8 132 444 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.882 106.3 51.5 -69.7 -36.2 22.3 23.8 0.6 133 445 A K H X S+ 0 0 97 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.826 106.6 54.2 -67.1 -33.5 19.3 23.1 -1.7 134 446 A L H X S+ 0 0 91 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.893 108.3 49.0 -64.6 -42.4 19.6 26.7 -3.0 135 447 A F H X S+ 0 0 15 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.895 105.7 57.3 -61.6 -41.9 23.2 26.1 -3.8 136 448 A E H X S+ 0 0 72 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.950 109.8 45.2 -51.9 -51.1 22.1 22.8 -5.6 137 449 A K H X S+ 0 0 135 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.869 110.5 53.8 -60.6 -42.1 19.8 24.9 -7.9 138 450 A K H X S+ 0 0 103 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.900 108.6 49.0 -61.5 -41.5 22.5 27.6 -8.4 139 451 A L H X S+ 0 0 16 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.884 105.9 57.6 -66.4 -41.3 24.9 25.0 -9.6 140 452 A E H < S+ 0 0 114 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.932 111.1 42.5 -54.0 -46.1 22.4 23.4 -12.0 141 453 A K H >< S+ 0 0 163 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.923 113.8 49.5 -70.0 -45.9 21.9 26.8 -13.7 142 454 A M H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.2 47.4 -60.8 -27.4 25.6 27.7 -13.9 143 455 A N T 3< S+ 0 0 109 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.331 79.1 125.1-104.2 7.0 26.4 24.2 -15.2 144 456 A S < 0 0 78 -3,-1.1 -3,-0.0 -4,-0.3 -4,-0.0 -0.444 360.0 360.0 -67.4 137.0 23.7 23.9 -18.0 145 457 A E 0 0 155 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.211 360.0 360.0 -45.8 360.0 25.0 23.1 -21.6