==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 17-NOV-03 1RIO . COMPND 2 MOLECULE: 27-MER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.JAIN,B.E.NICKELS,L.SUN,A.HOCHSCHILD,S.A.DARST . 254 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.9 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 0 0 1 3 1 1 2 1 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 1 366 H S > 0 0 131 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -83.1 -10.6 10.0 58.8 2 367 H E H > + 0 0 67 2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.835 360.0 55.0 -74.3 -35.7 -13.4 9.5 56.2 3 368 H E H 4 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.751 115.3 41.5 -63.5 -47.7 -12.4 12.8 54.5 4 369 H L H > S+ 0 0 81 3,-0.1 4,-1.9 2,-0.1 -2,-0.3 0.796 113.0 52.8 -33.4 -55.6 -8.9 11.1 54.3 5 370 H E H < S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.899 116.4 38.5 -65.3 -42.6 -10.3 7.6 53.4 6 371 H K T >< S+ 0 0 69 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.629 112.9 60.1 -79.6 -15.0 -12.2 9.1 50.5 7 372 H A T 34 S+ 0 0 48 -5,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.787 98.8 55.4 -81.4 -29.4 -9.2 11.4 50.0 8 373 H L T 3< S+ 0 0 18 -4,-1.9 2,-0.6 1,-0.1 3,-0.3 0.015 87.8 98.0 -87.7 26.3 -7.1 8.2 49.4 9 374 H S < + 0 0 86 -3,-0.7 -1,-0.1 1,-0.2 3,-0.1 -0.786 64.1 61.3-120.0 85.7 -9.6 7.4 46.7 10 375 H K S S+ 0 0 62 -2,-0.6 2,-0.2 1,-0.4 -1,-0.2 0.013 95.4 77.7-178.2 -13.5 -8.1 8.5 43.4 11 376 H L S S- 0 0 19 -3,-0.3 -1,-0.4 1,-0.1 43,-0.0 -0.659 95.9 -90.7-106.3 164.3 -5.2 6.1 43.9 12 377 H S > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.333 41.7-111.0 -67.4 157.3 -5.1 2.4 43.3 13 378 H E H > S+ 0 0 184 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.852 121.3 56.2 -64.0 -25.0 -5.9 0.5 46.4 14 379 H R H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.940 105.6 47.2 -71.5 -44.3 -2.3 -0.5 46.4 15 380 H E H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.914 115.1 48.0 -60.9 -39.9 -1.0 3.1 46.4 16 381 H A H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.923 110.2 50.7 -66.4 -45.1 -3.4 4.0 49.2 17 382 H M H X S+ 0 0 53 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.871 106.1 55.7 -64.3 -40.0 -2.4 0.9 51.2 18 383 H V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.948 110.7 45.3 -55.3 -48.1 1.3 1.8 50.8 19 384 H L H X S+ 0 0 10 -4,-1.9 4,-2.6 1,-0.2 6,-0.2 0.938 110.4 52.5 -62.3 -45.4 0.6 5.2 52.3 20 385 H K H <>S+ 0 0 71 -4,-2.4 5,-2.5 1,-0.2 6,-0.9 0.864 112.5 46.1 -61.1 -36.8 -1.6 4.0 55.2 21 386 H L H ><5S+ 0 0 9 -4,-1.9 10,-1.9 3,-0.2 3,-0.5 0.847 111.3 50.6 -76.2 -33.5 1.1 1.5 56.2 22 387 H R H 3<5S+ 0 0 64 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.7 44.7 -68.5 -38.1 3.9 4.0 56.0 23 388 H K T 3<5S- 0 0 131 -4,-2.6 -1,-0.2 -5,-0.2 7,-0.2 0.313 114.5-112.8 -93.1 9.7 1.9 6.4 58.2 24 389 H G T <>5S+ 0 0 15 -3,-0.5 4,-1.5 5,-0.5 -3,-0.2 0.625 77.3 129.0 76.2 11.1 0.7 3.9 60.7 25 390 H L T 4< + 0 0 104 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.701 68.7 48.5 -77.1 -16.1 -2.9 4.1 59.8 26 391 H I T 4 S- 0 0 75 -6,-0.9 -1,-0.2 3,-0.2 -5,-0.1 0.895 134.7 -4.5 -88.7 -43.3 -3.5 0.3 59.4 27 392 H D T 4 S- 0 0 91 2,-0.3 -2,-0.2 -7,-0.2 3,-0.1 0.340 99.0 -94.3-138.7 6.0 -2.0 -1.1 62.5 28 393 H G S < S+ 0 0 68 -4,-1.5 2,-0.4 1,-0.2 -3,-0.1 0.328 91.7 101.8 96.5 -11.0 -0.4 1.6 64.6 29 394 H R - 0 0 125 -8,-0.0 2,-1.7 1,-0.0 -5,-0.5 -0.928 68.9-133.4-115.5 141.2 3.2 1.2 63.2 30 395 H E - 0 0 148 -2,-0.4 -8,-0.2 -7,-0.2 -7,-0.1 -0.560 38.4-148.5 -85.4 82.2 4.9 3.4 60.7 31 396 H H - 0 0 34 -10,-1.9 2,-0.1 -2,-1.7 -7,-0.1 -0.019 6.1-118.0 -60.7 153.6 6.4 0.7 58.6 32 397 H T > - 0 0 56 1,-0.1 4,-2.5 4,-0.0 5,-0.3 -0.361 28.4-106.4 -79.7 167.5 9.6 0.9 56.7 33 398 H L H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 14,-0.1 0.876 122.5 52.4 -61.0 -40.3 9.9 0.6 53.0 34 399 H E H > S+ 0 0 104 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.896 109.0 49.2 -63.9 -42.3 11.4 -2.8 53.4 35 400 H E H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.945 113.7 45.4 -63.4 -44.9 8.5 -4.0 55.6 36 401 H V H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.923 111.2 55.7 -67.8 -37.9 5.9 -2.7 53.1 37 402 H G H X>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.3 4,-1.4 0.958 105.9 48.6 -52.4 -56.0 7.9 -4.3 50.4 38 403 H A H <5S+ 0 0 82 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.875 109.4 55.6 -56.4 -35.6 7.8 -7.7 52.1 39 404 H Y H <5S+ 0 0 155 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.900 116.1 34.9 -62.3 -39.4 4.0 -7.2 52.4 40 405 H F H <5S- 0 0 56 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.495 111.8-115.2 -98.8 1.4 3.6 -6.6 48.8 41 406 H G T <5S+ 0 0 63 -4,-1.4 2,-0.3 -3,-0.3 -3,-0.2 0.803 81.0 97.4 72.3 31.7 6.2 -9.0 47.6 42 407 H V S - 0 0 85 -2,-0.3 4,-1.7 -3,-0.1 5,-0.2 -0.188 36.4-110.1 -73.9 170.3 11.6 -4.4 47.0 44 409 H R H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.846 117.2 57.7 -68.3 -34.4 11.9 -1.3 49.2 45 410 H E H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 104.6 49.4 -63.3 -42.0 12.8 0.8 46.2 46 411 H R H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 110.0 51.0 -69.9 -33.2 9.6 -0.1 44.3 47 412 H I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.919 109.0 52.2 -65.6 -37.1 7.6 0.8 47.4 48 413 H R H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.943 110.5 49.4 -60.7 -39.7 9.6 4.1 47.4 49 414 H Q H X S+ 0 0 52 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.941 112.6 45.3 -63.9 -46.5 8.6 4.5 43.9 50 415 H I H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.959 110.2 53.2 -66.3 -51.7 4.9 3.8 44.4 51 416 H E H X S+ 0 0 13 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.894 108.8 50.8 -50.4 -39.4 4.7 6.0 47.5 52 417 H N H X S+ 0 0 42 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.938 110.0 48.8 -68.9 -38.9 6.1 8.9 45.6 53 418 H K H X S+ 0 0 81 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.898 112.1 50.1 -66.3 -37.8 3.7 8.5 42.8 54 419 H A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.924 110.1 48.4 -67.5 -43.0 0.9 8.3 45.3 55 420 H L H X S+ 0 0 68 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.893 112.0 49.4 -64.6 -39.8 1.9 11.5 47.1 56 421 H R H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.750 107.9 58.3 -67.4 -25.6 2.3 13.4 43.9 57 422 H K H >< S+ 0 0 67 -4,-1.2 3,-0.6 -5,-0.2 4,-0.5 0.899 110.2 38.2 -73.4 -42.7 -1.2 12.1 43.0 58 423 H L H 3< S+ 0 0 65 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.515 110.7 63.0 -88.3 0.4 -2.9 13.6 46.0 59 424 H K T 3< S+ 0 0 184 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.098 100.3 50.7-112.4 33.2 -0.9 16.8 45.9 60 425 H Y < 0 0 203 -3,-0.6 -2,-0.1 -5,-0.0 -1,-0.1 0.427 360.0 360.0-138.5 -22.3 -2.1 17.9 42.4 61 426 H H 0 0 173 -4,-0.5 -3,-0.1 0, 0.0 -2,-0.1 0.731 360.0 360.0 -97.4 360.0 -5.9 17.6 42.8 62 !* 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 63 2 A S 0 0 169 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -7.6 -5.1 -4.4 23.7 64 3 A T - 0 0 117 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.747 360.0-133.8 -64.2 130.0 -7.6 -3.2 21.1 65 4 A K S S+ 0 0 209 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.768 86.3 47.7 -66.0 -24.7 -4.9 -2.3 18.6 66 5 A K S S- 0 0 115 51,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 -0.952 74.4-145.6-122.6 136.6 -6.6 1.0 17.9 67 6 A K - 0 0 185 -2,-0.4 -2,-0.0 1,-0.0 0, 0.0 -0.833 25.7-114.0-101.5 141.3 -7.9 3.5 20.4 68 7 A P - 0 0 107 0, 0.0 2,-0.1 0, 0.0 48,-0.1 -0.279 33.7-107.1 -70.1 155.3 -11.0 5.6 19.6 69 8 A L - 0 0 29 46,-0.3 2,-0.1 1,-0.1 48,-0.0 -0.446 28.8-115.5 -79.4 154.1 -10.8 9.3 19.2 70 9 A T > - 0 0 78 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.395 35.7-102.1 -76.5 169.3 -12.0 11.8 21.8 71 10 A Q H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.897 124.1 52.6 -61.7 -42.1 -14.9 14.0 20.8 72 11 A E H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 105.8 53.7 -61.5 -37.7 -12.5 16.9 20.3 73 12 A Q H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 106.7 53.5 -66.8 -31.9 -10.3 14.8 18.0 74 13 A L H X S+ 0 0 42 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.918 109.6 47.5 -69.5 -39.7 -13.4 14.0 15.9 75 14 A E H X S+ 0 0 79 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.928 107.0 54.4 -65.6 -46.5 -14.2 17.6 15.5 76 15 A D H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.954 110.2 50.6 -55.3 -43.2 -10.8 18.5 14.5 77 16 A A H X S+ 0 0 4 -4,-2.1 4,-3.4 1,-0.2 -1,-0.3 0.927 109.0 49.3 -61.4 -38.8 -11.1 15.8 11.9 78 17 A R H X S+ 0 0 153 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.943 111.7 48.0 -66.8 -44.7 -14.4 17.2 10.6 79 18 A R H X S+ 0 0 95 -4,-3.2 4,-2.0 59,-0.2 -1,-0.2 0.953 112.1 51.4 -60.7 -41.8 -13.0 20.6 10.3 80 19 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 3,-0.4 0.964 110.9 46.9 -57.5 -54.6 -10.0 19.2 8.6 81 20 A K H X S+ 0 0 70 -4,-3.4 4,-3.0 32,-0.3 5,-0.2 0.923 108.4 54.8 -56.2 -42.3 -12.1 17.3 6.1 82 21 A A H X S+ 0 0 59 -4,-2.9 4,-2.1 1,-0.3 -1,-0.3 0.884 105.6 52.9 -60.7 -36.6 -14.3 20.3 5.4 83 22 A I H X S+ 0 0 21 -4,-2.0 4,-1.6 -3,-0.4 -1,-0.3 0.892 109.5 50.0 -67.5 -35.6 -11.3 22.4 4.5 84 23 A Y H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.957 110.7 49.0 -64.3 -47.8 -10.2 19.6 2.1 85 24 A E H < S+ 0 0 89 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.880 113.3 47.6 -58.2 -39.4 -13.7 19.5 0.4 86 25 A K H < S+ 0 0 174 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.815 123.7 27.8 -75.3 -28.6 -13.8 23.3 0.1 87 26 A K H X S+ 0 0 40 -4,-1.6 4,-1.9 -3,-0.3 5,-0.2 0.449 86.9 99.2-117.4 -0.6 -10.3 23.8 -1.4 88 27 A K H X>S+ 0 0 68 -4,-1.9 5,-2.3 1,-0.2 4,-0.9 0.846 86.1 51.1 -58.5 -36.0 -9.5 20.6 -3.2 89 28 A N H >45S+ 0 0 151 -4,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.979 110.9 43.7 -68.7 -54.5 -10.5 22.1 -6.6 90 29 A E H 345S+ 0 0 141 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 122.5 41.8 -59.1 -28.3 -8.4 25.3 -6.4 91 30 A L H 3<5S- 0 0 55 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.489 104.1-128.3 -99.4 -3.6 -5.5 23.3 -5.1 92 31 A G T <<5 + 0 0 65 -3,-1.0 2,-0.3 -4,-0.9 -3,-0.2 0.925 53.5 158.2 58.4 46.9 -5.9 20.3 -7.4 93 32 A L < + 0 0 16 -5,-2.3 2,-0.3 -9,-0.1 -1,-0.2 -0.749 26.3 178.8-104.6 147.2 -5.8 17.9 -4.5 94 33 A S > - 0 0 48 -2,-0.3 4,-3.3 1,-0.1 5,-0.4 -0.943 45.9-108.3-132.9 161.3 -7.0 14.3 -4.1 95 34 A Q H > S+ 0 0 39 1,-0.3 4,-2.8 -2,-0.3 14,-0.2 0.903 126.4 51.7 -52.3 -34.4 -6.7 12.1 -0.9 96 35 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.891 108.6 44.7 -69.1 -43.2 -4.3 10.4 -3.0 97 36 A S H > S+ 0 0 33 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.913 114.6 51.2 -74.2 -38.2 -2.2 13.4 -4.0 98 37 A V H X S+ 0 0 0 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.905 108.1 51.7 -59.3 -44.6 -2.3 14.7 -0.4 99 38 A A H >X>S+ 0 0 0 -4,-2.8 5,-1.7 -5,-0.4 4,-0.9 0.984 107.8 52.8 -60.3 -48.5 -1.1 11.3 0.8 100 39 A D H ><5S+ 0 0 111 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.887 106.1 53.0 -49.6 -45.1 1.8 11.5 -1.7 101 40 A K H 3<5S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 115.2 43.2 -60.4 -29.4 2.7 14.9 -0.3 102 41 A X H <<5S- 0 0 25 -4,-1.9 -1,-0.2 -3,-0.6 -2,-0.2 0.428 112.7-113.0 -97.7 -0.7 2.8 13.4 3.2 103 42 A G T <<5S+ 0 0 73 -4,-0.9 2,-0.2 -3,-0.9 -3,-0.2 0.819 81.9 93.5 75.1 30.8 4.6 10.1 2.4 104 43 A X S > - 0 0 39 -2,-0.2 4,-1.3 -3,-0.1 3,-0.5 -0.583 38.2-106.1-104.6 161.6 -1.2 6.0 1.4 106 45 A Q H 3> S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.674 120.7 58.8 -60.3 -25.3 -4.7 7.3 0.6 107 46 A S H 3> S+ 0 0 97 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.849 102.3 58.6 -71.2 -34.6 -6.2 5.1 3.4 108 47 A G H <> S+ 0 0 11 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.958 110.5 38.3 -51.3 -56.9 -3.9 7.0 5.6 109 48 A V H X S+ 0 0 1 -4,-1.3 4,-3.5 2,-0.2 5,-0.3 0.865 113.4 55.9 -65.2 -43.6 -5.4 10.4 4.7 110 49 A G H X S+ 0 0 6 -4,-2.0 4,-3.0 2,-0.2 6,-0.2 0.945 105.4 53.2 -56.1 -44.7 -8.9 9.0 4.6 111 50 A A H X>S+ 0 0 12 -4,-2.7 5,-2.2 1,-0.2 6,-1.5 0.910 112.6 44.3 -58.2 -42.1 -8.4 7.8 8.2 112 51 A L H <5S+ 0 0 7 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.925 116.4 45.3 -69.8 -42.2 -7.4 11.3 9.2 113 52 A F H <5S+ 0 0 4 -4,-3.5 -32,-0.3 1,-0.2 -2,-0.2 0.860 116.5 46.4 -69.1 -31.8 -10.1 13.0 7.3 114 53 A N H <5S- 0 0 83 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.573 112.7-108.2 -92.6 -6.4 -12.8 10.5 8.6 115 54 A G T <5S+ 0 0 10 -4,-1.2 -46,-0.3 2,-0.3 -3,-0.2 0.735 86.3 115.3 91.3 24.7 -12.0 10.4 12.3 116 55 A I S - 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0 0 142 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.707 360.0-138.2 31.2 74.7 14.8 -9.3 20.9 163 4 B K - 0 0 204 1,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.177 21.5 -95.3 -61.7 151.3 17.0 -6.3 21.8 164 5 B K - 0 0 133 1,-0.1 -1,-0.1 51,-0.0 -2,-0.0 -0.517 42.3-105.0 -73.5 131.0 15.8 -2.8 21.0 165 6 B K - 0 0 184 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.214 40.3-109.8 -54.2 134.0 17.1 -1.2 17.7 166 7 B P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.462 29.7-120.1 -68.6 139.5 19.8 1.4 18.3 167 8 B L - 0 0 34 46,-0.5 2,-0.1 1,-0.2 48,-0.0 -0.058 42.2 -80.2 -64.6 172.1 18.9 5.0 17.6 168 9 B T > - 0 0 74 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.416 38.7-110.3 -75.7 158.2 20.8 7.1 15.0 169 10 B Q H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 121.8 51.6 -53.2 -41.6 24.1 8.6 15.7 170 11 B E H > S+ 0 0 98 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.923 109.4 49.3 -64.4 -40.7 22.6 12.0 15.7 171 12 B Q H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.940 110.2 51.6 -64.9 -37.8 19.9 10.9 18.1 172 13 B L H X S+ 0 0 52 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.876 110.1 48.7 -67.1 -35.7 22.6 9.5 20.3 173 14 B E H X S+ 0 0 74 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.926 108.8 53.4 -67.0 -45.6 24.4 12.8 20.2 174 15 B D H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.954 111.3 46.8 -49.1 -51.9 21.2 14.6 21.0 175 16 B A H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.930 109.1 53.1 -62.8 -40.8 20.7 12.4 24.0 176 17 B R H X S+ 0 0 152 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.912 111.3 46.1 -63.2 -41.9 24.3 12.7 25.2 177 18 B R H X S+ 0 0 91 -4,-2.5 4,-2.3 59,-0.3 -1,-0.2 0.905 112.9 52.1 -61.6 -41.2 24.0 16.5 25.1 178 19 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.949 111.2 44.9 -58.7 -54.7 20.6 16.3 26.9 179 20 B K H X S+ 0 0 63 -4,-3.0 4,-3.1 32,-0.4 5,-0.3 0.934 110.7 54.7 -59.2 -47.7 21.9 14.1 29.7 180 21 B A H X S+ 0 0 34 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.889 108.8 47.6 -56.3 -41.8 25.0 16.4 30.1 181 22 B I H X S+ 0 0 31 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.936 112.5 51.6 -60.1 -45.5 22.8 19.4 30.5 182 23 B Y H X S+ 0 0 8 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.938 111.7 44.6 -58.1 -50.1 20.8 17.3 33.1 183 24 B E H < S+ 0 0 61 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.867 113.5 51.6 -59.3 -39.8 23.9 16.3 35.1 184 25 B K H < S+ 0 0 148 -4,-2.1 -1,-0.2 -5,-0.3 4,-0.2 0.833 122.8 27.1 -69.7 -30.1 25.3 19.9 35.0 185 26 B K H X S+ 0 0 36 -4,-1.8 4,-2.5 -3,-0.3 5,-0.3 0.483 89.6 96.5-113.7 -10.2 22.1 21.5 36.3 186 27 B K H X>S+ 0 0 61 -4,-1.9 5,-1.9 -5,-0.2 4,-1.5 0.875 84.6 52.4 -54.7 -41.3 20.3 18.9 38.4 187 28 B N H 45S+ 0 0 147 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.963 114.8 38.7 -60.8 -55.3 21.7 20.2 41.7 188 29 B E H 45S+ 0 0 143 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.807 121.1 44.6 -67.3 -31.0 20.7 23.8 41.3 189 30 B L H <5S- 0 0 49 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.665 107.7-131.1 -85.3 -15.7 17.3 23.0 39.7 190 31 B G T <5 + 0 0 59 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.921 51.6 151.6 68.8 44.2 16.8 20.3 42.3 191 32 B L < - 0 0 21 -5,-1.9 2,-0.3 -6,-0.1 -1,-0.2 -0.707 31.8-171.8-106.3 157.1 15.8 17.6 40.0 192 33 B S > - 0 0 45 -2,-0.3 4,-2.5 1,-0.1 5,-0.3 -0.889 44.9-107.5-129.9 160.3 16.1 13.7 39.9 193 34 B Q H > S+ 0 0 37 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.895 125.3 53.8 -52.8 -37.6 15.2 11.6 36.9 194 35 B E H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 108.1 44.7 -62.6 -45.0 12.2 10.8 38.9 195 36 B S H > S+ 0 0 12 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.889 112.8 52.3 -75.4 -31.5 11.1 14.3 39.6 196 37 B V H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 3,-0.4 0.926 107.3 53.6 -60.1 -46.3 11.6 15.3 36.0 197 38 B A H ><>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.3 3,-1.2 0.911 104.0 55.2 -58.7 -45.1 9.5 12.3 34.9 198 39 B D H ><5S+ 0 0 42 -4,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.853 103.5 54.0 -58.7 -35.2 6.7 13.4 37.0 199 40 B K H 3<5S+ 0 0 125 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.746 111.7 48.3 -72.4 -16.6 6.6 16.8 35.4 200 41 B X T <<5S- 0 0 21 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.358 117.3-108.0-102.3 0.7 6.3 15.0 32.2 201 42 B G T < 5S+ 0 0 71 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.762 85.4 90.5 81.6 21.3 3.5 12.6 33.0 202 43 B X S - 0 0 42 -2,-0.2 4,-1.8 -3,-0.1 3,-0.4 -0.506 36.9-106.5 -97.8 168.4 8.1 7.3 35.1 204 45 B Q H > S+ 0 0 79 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.850 115.9 52.3 -62.9 -39.5 11.7 7.4 36.0 205 46 B S H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.820 107.1 55.2 -72.2 -27.2 12.8 4.7 33.8 206 47 B G H > S+ 0 0 22 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.860 109.3 45.1 -69.3 -42.1 11.1 6.3 30.8 207 48 B V H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 3,-0.5 0.920 111.8 54.7 -69.0 -37.9 12.9 9.5 31.4 208 49 B G H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.884 101.3 56.1 -62.3 -39.1 16.1 7.6 31.8 209 50 B A H <>S+ 0 0 16 -4,-1.9 5,-2.7 1,-0.2 6,-1.7 0.843 108.9 49.8 -60.7 -30.7 15.7 5.8 28.5 210 51 B L H ><5S+ 0 0 8 -4,-1.1 3,-0.9 -3,-0.5 -2,-0.2 0.913 110.7 47.7 -75.6 -41.3 15.6 9.3 26.9 211 52 B F H 3<5S+ 0 0 3 -4,-2.0 -32,-0.4 1,-0.2 -2,-0.2 0.788 113.2 48.3 -68.5 -32.9 18.7 10.5 28.7 212 53 B N T 3<5S- 0 0 85 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.264 113.7-110.4 -98.7 15.6 20.7 7.5 27.8 213 54 B G T < 5S+ 0 0 7 -3,-0.9 -46,-0.5 2,-0.2 -3,-0.2 0.765 86.3 115.0 68.4 30.4 19.9 7.3 24.2 214 55 B I S - 0 0 77 -2,-0.2 4,-2.2 1,-0.0 5,-0.2 -0.737 33.8-102.9-114.2 173.3 10.0 13.3 20.1 219 60 B A H > S+ 0 0 8 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.894 119.4 53.0 -62.9 -39.9 9.4 17.0 19.7 220 61 B Y H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.969 112.4 42.6 -60.8 -52.6 6.9 17.0 22.5 221 62 B N H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 112.0 55.2 -65.0 -33.9 9.2 15.4 25.0 222 63 B A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.938 109.2 47.2 -62.4 -38.8 12.1 17.5 23.9 223 64 B A H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.906 110.5 51.8 -71.3 -37.3 10.2 20.7 24.5 224 65 B L H X S+ 0 0 39 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 111.2 48.0 -63.2 -40.5 9.1 19.5 27.9 225 66 B L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.886 109.1 52.9 -71.3 -41.6 12.6 18.7 28.8 226 67 B A H X>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-1.1 0.901 110.4 47.9 -58.2 -46.4 13.9 22.1 27.7 227 68 B K H <5S+ 0 0 75 -4,-2.5 3,-0.4 3,-0.2 -2,-0.2 0.954 113.9 47.0 -61.4 -41.9 11.3 23.8 29.8 228 69 B I H <5S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 118.3 40.8 -65.8 -43.0 12.2 21.7 32.9 229 70 B L H <5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.507 108.1-124.9 -85.3 -8.7 15.9 22.2 32.5 230 71 B K T <5S+ 0 0 97 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.920 70.5 112.5 65.6 44.3 15.6 25.8 31.5 231 72 B V S - 0 0 0 -76,-1.0 3,-1.8 -2,-0.3 4,-0.3 -0.565 29.2-121.9 -82.7 153.3 16.5 25.9 24.6 233 74 B V G >> S+ 0 0 0 -81,-1.7 4,-2.5 1,-0.3 3,-2.0 0.857 112.1 70.5 -60.3 -30.4 15.8 22.8 22.6 234 75 B E G 34 S+ 0 0 89 -81,-0.3 -1,-0.3 1,-0.3 -81,-0.1 0.720 84.4 70.7 -58.4 -22.2 18.7 24.0 20.4 235 76 B E G <4 S+ 0 0 24 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.659 118.0 12.8 -75.7 -12.2 21.1 23.1 23.2 236 77 B F T <4 S+ 0 0 0 -3,-2.0 -59,-0.3 -4,-0.3 -58,-0.2 0.646 135.9 27.3-128.0 -35.7 20.7 19.4 22.8 237 78 B S X + 0 0 0 -4,-2.5 4,-1.9 1,-0.1 5,-0.2 -0.783 48.2 175.0-133.4 95.6 18.9 18.8 19.5 238 79 B P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.894 86.5 54.9 -58.2 -38.9 19.2 21.2 16.6 239 80 B S H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 108.8 46.0 -70.2 -38.9 17.2 18.9 14.3 240 81 B I H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.870 111.3 54.2 -66.3 -32.1 14.2 18.7 16.7 241 82 B A H X S+ 0 0 3 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.892 109.9 46.3 -68.0 -41.4 14.4 22.5 17.2 242 83 B R H X S+ 0 0 139 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.909 110.1 53.9 -64.8 -39.9 14.2 23.0 13.4 243 84 B E H X S+ 0 0 66 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.981 108.8 48.7 -61.2 -48.0 11.4 20.5 13.2 244 85 B I H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.868 110.6 51.3 -58.0 -36.7 9.4 22.5 15.8 245 86 B Y H X S+ 0 0 84 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.924 107.0 54.1 -66.8 -43.6 10.1 25.7 13.9 246 87 B E H X S+ 0 0 56 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.914 110.3 45.7 -56.0 -42.2 8.8 24.1 10.8 247 88 B X H >< S+ 0 0 5 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 0.885 106.6 59.5 -69.5 -38.3 5.6 23.1 12.6 248 89 B Y H >< S+ 0 0 47 -4,-2.1 3,-2.3 1,-0.3 4,-0.5 0.839 93.3 66.1 -58.1 -32.8 5.3 26.6 14.1 249 90 B E H >< S+ 0 0 64 -4,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.857 93.6 63.5 -58.0 -30.7 5.2 28.2 10.6 250 91 B A T << S+ 0 0 4 -3,-1.0 -115,-2.7 -4,-0.6 -1,-0.3 0.453 92.9 58.1 -77.4 -1.2 1.9 26.4 10.2 251 92 B V T < S+ 0 0 16 -3,-2.3 2,-0.6 -117,-0.2 -1,-0.2 0.507 82.4 110.1 -99.1 -6.6 0.1 28.3 13.0 252 93 B H < - 0 0 53 -3,-1.2 2,-0.4 -4,-0.5 -117,-0.0 -0.595 53.6-163.2 -75.1 111.9 0.8 31.6 11.2 253 94 B H - 0 0 115 -2,-0.6 2,-0.2 -119,-0.1 3,-0.1 -0.718 28.8-164.8 -80.0 146.6 -2.2 33.1 9.7 254 95 B H - 0 0 163 -2,-0.4 -120,-0.0 1,-0.3 -1,-0.0 -0.544 24.8 -49.0-126.4-167.4 -0.4 35.4 7.4 255 96 B H 0 0 171 -2,-0.2 -1,-0.3 1,-0.2 0, 0.0 0.090 360.0 360.0 -64.8 179.0 -1.4 38.5 5.5 256 97 B H 0 0 212 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 -0.046 360.0 360.0 -67.2 360.0 -4.5 38.8 3.2