==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-FEB-11 3QQE . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.XU,I.A.WILSON . 495 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 19.6 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 20.2 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+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 3 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 3 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 0 0 PARALLEL BRIDGES PER LADDER . 5 5 5 2 0 3 1 0 1 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 . 3 4 1 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 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 9 A P 0 0 171 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 124.8 16.6 -22.3 46.9 2 10 A G - 0 0 32 1,-0.2 463,-0.1 462,-0.1 465,-0.1 -0.273 360.0 -57.2-105.3-169.8 17.0 -18.6 45.9 3 11 A D - 0 0 14 463,-0.2 461,-3.2 461,-0.2 2,-0.4 -0.344 56.3-152.8 -69.3 152.3 16.1 -16.2 43.1 4 12 A Q E -AB 351 463A 56 347,-2.7 347,-2.5 459,-0.2 2,-0.4 -0.963 21.9-167.6-133.2 144.0 17.3 -17.0 39.6 5 13 A I E -AB 350 462A 0 457,-2.0 457,-3.2 -2,-0.4 2,-0.4 -0.997 18.4-166.2-123.1 138.3 18.2 -15.5 36.3 6 14 A a E -AB 349 461A 11 343,-2.3 343,-1.8 -2,-0.4 2,-0.4 -0.953 13.5-142.7-123.2 141.8 18.6 -17.8 33.2 7 15 A I E +A 348 0A 1 453,-2.6 2,-0.3 -2,-0.4 341,-0.2 -0.865 38.5 145.1 -99.4 136.5 20.2 -17.1 29.8 8 16 A G E -A 347 0A 0 339,-2.4 339,-2.4 -2,-0.4 2,-0.3 -0.890 34.4-118.3-156.4-171.6 18.4 -18.7 26.8 9 17 A Y E -A 346 0A 0 327,-0.4 329,-3.8 -2,-0.3 337,-0.2 -0.942 34.1 -82.4-143.0 154.7 17.4 -18.5 23.2 10 18 A H B +e 338 0B 17 335,-2.1 311,-0.3 -2,-0.3 2,-0.3 -0.197 36.6 177.6 -53.5 136.3 14.3 -18.4 20.9 11 19 A A + 0 0 1 327,-1.6 2,-0.2 330,-0.3 330,-0.2 -0.984 6.9 166.2-137.5 147.6 12.4 -21.5 19.7 12 20 A N - 0 0 33 -2,-0.3 327,-0.1 2,-0.1 325,-0.1 -0.681 51.9 -85.2-139.6-164.3 9.3 -21.5 17.5 13 21 A N S S+ 0 0 146 -2,-0.2 16,-0.0 16,-0.1 2,-0.0 0.146 73.4 141.5 -96.5 18.5 7.2 -23.9 15.5 14 22 A S - 0 0 18 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.315 33.4-176.4 -67.9 143.2 9.4 -23.6 12.4 15 23 A T + 0 0 113 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.179 35.3 140.4-121.6 7.1 10.1 -26.6 10.2 16 24 A E - 0 0 92 12,-0.4 12,-1.9 13,-0.1 2,-0.4 -0.320 38.5-151.1 -54.3 130.7 12.5 -24.7 7.9 17 25 A K E +F 27 0C 87 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.848 17.4 176.1-110.8 143.6 15.5 -26.9 6.9 18 26 A V E -F 26 0C 4 8,-2.0 8,-3.3 -2,-0.4 2,-0.3 -0.960 21.6-132.7-135.0 159.0 19.0 -25.8 5.9 19 27 A D + 0 0 34 294,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.825 23.3 178.8-105.6 151.6 22.2 -27.7 5.1 20 28 A T - 0 0 4 3,-2.2 406,-0.2 -2,-0.3 405,-0.1 -0.673 43.5 -95.0-132.0-172.1 25.6 -26.9 6.5 21 29 A I S S+ 0 0 88 404,-0.6 3,-0.1 -2,-0.2 405,-0.1 0.932 121.3 34.4 -73.7 -49.5 29.1 -28.5 6.1 22 30 A L S S+ 0 0 136 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.613 127.8 24.7 -80.2 -15.7 29.0 -30.8 9.1 23 31 A E - 0 0 89 3,-0.0 -3,-2.2 0, 0.0 2,-0.3 -0.976 61.5-151.3-160.2 131.9 25.3 -31.6 9.0 24 32 A R S S+ 0 0 207 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.729 75.4 31.4-102.5 155.5 22.4 -31.8 6.5 25 33 A N S S+ 0 0 103 -2,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.926 74.0 174.1 71.2 48.1 18.7 -31.3 7.2 26 34 A V E -F 18 0C 3 -8,-3.3 -8,-2.0 -3,-0.2 2,-0.4 -0.790 26.7-136.4 -96.1 125.6 19.0 -28.8 10.1 27 35 A T E -F 17 0C 38 -2,-0.5 293,-2.7 -10,-0.2 2,-0.3 -0.660 27.7-176.3 -79.5 130.7 15.8 -27.1 11.5 28 36 A V B -G 319 0D 0 -12,-1.9 -12,-0.4 -2,-0.4 291,-0.3 -0.904 35.7-124.3-131.3 154.1 16.2 -23.4 12.1 29 37 A T S S+ 0 0 3 289,-3.1 2,-0.3 -2,-0.3 -13,-0.1 0.846 97.4 11.4 -67.6 -35.6 14.0 -20.7 13.6 30 38 A H + 0 0 75 288,-0.3 287,-2.2 -16,-0.1 286,-1.8 -0.986 69.0 175.8-145.4 147.3 14.2 -18.5 10.5 31 39 A A E -H 315 0E 27 -2,-0.3 2,-0.5 284,-0.2 284,-0.2 -0.986 21.4-140.1-153.0 152.6 15.5 -19.1 7.0 32 40 A K E -H 314 0E 101 282,-3.1 282,-2.7 -2,-0.3 2,-0.4 -0.928 11.4-150.8-126.3 104.6 15.7 -17.2 3.6 33 41 A D E -H 313 0E 59 -2,-0.5 280,-0.2 280,-0.3 -2,-0.0 -0.630 14.5-178.4 -65.3 120.4 15.1 -19.1 0.4 34 42 A I + 0 0 3 278,-2.7 258,-1.6 -2,-0.4 2,-0.6 0.294 51.6 92.0-108.5 7.2 17.2 -17.3 -2.3 35 43 A L E -i 292 0F 1 277,-0.6 2,-0.4 256,-0.1 258,-0.2 -0.908 62.5-149.4-109.4 115.3 16.2 -19.5 -5.3 36 44 A E E +i 293 0F 29 256,-2.7 258,-1.9 -2,-0.6 259,-0.3 -0.676 22.7 168.6 -78.1 127.9 13.2 -18.6 -7.5 37 45 A K + 0 0 82 -2,-0.4 2,-0.3 256,-0.2 -1,-0.1 0.419 46.4 78.7-122.0 -0.4 11.7 -21.8 -8.9 38 46 A T + 0 0 95 249,-0.1 249,-0.3 2,-0.0 2,-0.3 -0.835 44.1 176.0-120.9 151.7 8.4 -20.6 -10.5 39 47 A H - 0 0 76 -2,-0.3 247,-0.2 247,-0.1 241,-0.0 -0.882 39.8-113.1-141.5 168.2 7.3 -18.9 -13.6 40 48 A N - 0 0 76 245,-2.0 244,-0.1 -2,-0.3 3,-0.1 0.451 42.0-125.4 -87.0 -1.3 3.8 -18.0 -15.1 41 49 A G S S+ 0 0 46 244,-0.2 2,-0.3 1,-0.2 243,-0.2 0.543 73.1 112.8 69.7 9.4 4.0 -20.4 -18.1 42 50 A K - 0 0 79 243,-0.1 243,-0.6 228,-0.1 2,-0.5 -0.851 68.8-129.0-118.2 148.2 3.3 -17.5 -20.5 43 51 A L E -k 272 0G 9 228,-0.6 230,-2.4 -2,-0.3 2,-0.3 -0.812 46.2-179.5 -86.1 130.7 5.2 -15.6 -23.2 44 52 A b E - 0 0 0 -2,-0.5 232,-0.2 228,-0.2 230,-0.1 -0.815 34.4 -86.5-130.5 164.2 4.8 -11.9 -22.4 45 53 A K E -k 276 0G 46 230,-2.3 232,-1.4 228,-0.4 2,-0.6 -0.425 41.7-132.8 -59.8 145.5 5.5 -8.4 -23.3 46 53AA L E > S-kL 277 49G 14 3,-2.4 3,-1.5 230,-0.2 232,-0.2 -0.961 82.7 -21.4-110.7 109.7 8.9 -7.3 -22.0 47 54 A N T 3 S- 0 0 82 230,-2.5 -1,-0.2 -2,-0.6 231,-0.1 0.816 127.5 -52.4 55.5 39.4 8.4 -3.8 -20.3 48 55 A G T 3 S+ 0 0 42 229,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.376 116.3 114.5 82.5 -3.7 5.3 -3.2 -22.3 49 56 A I B < -L 46 0G 55 -3,-1.5 -3,-2.4 -5,-0.0 -1,-0.2 -0.895 62.0-136.3-103.0 117.4 7.0 -4.0 -25.7 50 57 A P - 0 0 58 0, 0.0 29,-1.0 0, 0.0 30,-0.2 -0.375 18.6-114.8 -70.0 152.1 5.7 -7.1 -27.4 51 58 A P - 0 0 11 0, 0.0 2,-0.7 0, 0.0 30,-0.2 -0.277 31.5-103.4 -71.5 165.2 8.0 -9.7 -29.0 52 59 A L E -m 81 0H 13 28,-3.1 30,-3.1 23,-0.1 2,-0.9 -0.879 35.2-152.9 -86.3 113.5 8.0 -10.2 -32.7 53 60 A E E -m 82 0H 59 -2,-0.7 30,-0.1 28,-0.2 4,-0.1 -0.798 11.4-170.6 -92.8 104.5 6.0 -13.5 -33.2 54 61 A L > - 0 0 0 28,-2.1 3,-2.1 -2,-0.9 2,-0.2 0.691 16.0-168.1 -67.4 -17.9 7.3 -15.2 -36.4 55 62 A G T 3 S- 0 0 18 1,-0.3 29,-0.5 27,-0.2 -1,-0.2 -0.490 71.9 -15.0 67.1-127.1 4.5 -17.8 -36.3 56 63 A D T 3 S+ 0 0 57 -2,-0.2 33,-2.6 12,-0.1 32,-0.3 0.378 118.3 104.2 -86.2 3.7 5.4 -20.5 -38.8 57 64 A c B < -o 89 0I 0 -3,-2.1 27,-0.4 31,-0.2 2,-0.2 -0.523 61.0-141.1 -89.0 150.5 8.0 -18.3 -40.5 58 65 A S > - 0 0 13 31,-2.1 4,-2.3 -2,-0.2 5,-0.1 -0.566 34.4-103.6 -94.1 168.6 11.8 -18.4 -40.2 59 66 A I H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 126.7 49.7 -54.0 -47.6 14.0 -15.3 -40.0 60 67 A A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.900 108.1 52.2 -59.3 -44.8 14.9 -16.0 -43.7 61 68 A G H >>S+ 0 0 0 28,-0.3 5,-3.0 1,-0.2 4,-1.2 0.897 112.6 47.0 -58.4 -44.3 11.2 -16.3 -44.6 62 69 A W H <5S+ 0 0 10 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.944 115.7 41.7 -57.3 -56.1 10.5 -12.9 -43.0 63 70 A L H <5S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.893 118.3 45.1 -73.8 -34.0 13.4 -11.0 -44.5 64 71 A L H <5S- 0 0 0 -4,-2.7 83,-2.1 -5,-0.2 84,-0.4 0.775 112.8-119.0 -72.8 -28.3 13.0 -12.4 -48.0 65 72 A G T <5 - 0 0 2 -4,-1.2 81,-3.5 -5,-0.3 -3,-0.2 0.909 29.4-161.7 84.3 48.0 9.2 -11.9 -47.9 66 73 A N > < - 0 0 4 -5,-3.0 3,-2.7 79,-0.2 -1,-0.1 -0.471 25.7-125.5 -55.1 126.9 8.0 -15.5 -48.3 67 74 A P G > S+ 0 0 12 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.675 110.0 63.1 -58.5 -18.6 4.4 -14.9 -49.3 68 75 A E G 3 S+ 0 0 111 1,-0.2 3,-0.2 2,-0.1 -12,-0.1 0.554 100.7 56.1 -75.7 -9.6 3.2 -17.2 -46.4 69 76 A c G X + 0 0 4 -3,-2.7 3,-2.6 -8,-0.2 -1,-0.2 0.068 66.1 127.1-110.0 18.0 4.7 -14.5 -44.1 70 77 A D G X + 0 0 54 -3,-0.9 3,-1.9 1,-0.3 4,-0.2 0.722 62.1 69.6 -54.2 -30.9 2.8 -11.4 -45.4 71 78 A R G 3 S+ 0 0 138 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.685 98.2 56.2 -55.3 -18.4 1.6 -10.4 -41.9 72 79 A L G < S+ 0 0 12 -3,-2.6 -1,-0.3 1,-0.2 3,-0.3 0.263 71.9 104.6-101.6 11.1 5.3 -9.5 -41.4 73 80 A L S < S+ 0 0 61 -3,-1.9 2,-0.4 1,-0.3 -1,-0.2 0.835 96.3 19.0 -63.3 -34.7 5.8 -7.1 -44.3 74 81 A S S S+ 0 0 112 -3,-0.3 -1,-0.3 -4,-0.2 40,-0.1 -0.948 81.8 178.8-134.1 115.8 5.7 -4.2 -42.0 75 81AA V - 0 0 24 -2,-0.4 38,-0.3 -3,-0.3 3,-0.1 -0.930 20.9-129.9-121.1 142.8 6.5 -4.8 -38.2 76 82 A P - 0 0 104 0, 0.0 37,-0.1 0, 0.0 -1,-0.0 -0.247 50.5 -62.8 -76.5 174.2 6.7 -2.5 -35.2 77 83 A E - 0 0 73 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.216 58.9-157.7 -54.1 141.2 9.6 -2.4 -32.7 78 84 A W - 0 0 2 33,-2.6 3,-0.1 -3,-0.1 -1,-0.1 -0.848 26.8-149.3-122.9 162.6 10.0 -5.6 -30.7 79 85 A S S S- 0 0 6 -29,-1.0 2,-0.3 1,-0.4 -1,-0.1 0.689 85.8 -12.5 -98.2 -29.6 11.6 -6.7 -27.4 80 86 A Y - 0 0 0 -30,-0.2 -28,-3.1 183,-0.2 2,-0.5 -0.959 68.9-113.7-160.4 168.7 12.5 -10.2 -28.5 81 87 A I E -mn 52 265H 0 183,-2.7 185,-3.6 -2,-0.3 2,-0.6 -0.941 19.2-151.5-113.8 128.6 11.8 -12.5 -31.5 82 88 A M E +mn 53 266H 6 -30,-3.1 -28,-2.1 -2,-0.5 2,-0.4 -0.901 22.2 172.6 -97.7 123.8 9.9 -15.8 -31.1 83 89 A E E - n 0 267H 3 183,-2.7 185,-2.2 -2,-0.6 2,-0.1 -0.988 28.9-120.5-129.6 143.4 10.8 -18.5 -33.6 84 90 A K - 0 0 48 -29,-0.5 185,-0.1 -27,-0.4 183,-0.0 -0.420 26.6-115.4 -76.3 154.8 9.8 -22.1 -33.8 85 91 A E S S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.1 184,-0.0 0.914 110.9 14.7 -54.1 -48.2 12.4 -24.9 -33.7 86 92 A N S S- 0 0 143 -28,-0.0 -1,-0.3 -3,-0.0 -28,-0.1 -0.644 83.5-161.9-129.4 74.2 11.5 -26.0 -37.3 87 93 A P - 0 0 31 0, 0.0 -30,-0.1 0, 0.0 3,-0.1 -0.299 11.8-146.9 -63.0 139.6 9.5 -23.2 -39.0 88 94 A R S S+ 0 0 180 -32,-0.3 2,-1.0 1,-0.2 -31,-0.2 0.843 82.9 64.5 -70.0 -38.3 7.6 -24.4 -42.1 89 95 A D B +o 57 0I 29 -33,-2.6 -31,-2.1 1,-0.1 -28,-0.3 -0.728 67.5 103.5-103.8 90.5 7.9 -21.1 -44.1 90 95AA G S S+ 0 0 13 -2,-1.0 2,-1.3 -33,-0.2 3,-0.2 0.220 84.4 7.9-122.5-110.5 11.5 -20.2 -44.9 91 96 A L + 0 0 41 1,-0.2 4,-0.2 4,-0.1 -1,-0.1 -0.681 61.3 176.2 -81.2 93.8 13.0 -20.7 -48.4 92 97 A C S S+ 0 0 13 -2,-1.3 -1,-0.2 1,-0.1 45,-0.1 0.927 81.1 53.1 -68.1 -46.9 9.9 -21.6 -50.4 93 98 A Y S S- 0 0 0 -3,-0.2 134,-0.1 43,-0.1 -1,-0.1 -0.851 114.1-116.2 -75.8 121.2 12.1 -21.6 -53.5 94 99 A P + 0 0 4 0, 0.0 133,-2.3 0, 0.0 2,-0.3 -0.164 64.6 89.8 -67.8 154.8 14.7 -24.0 -52.2 95 100 A G E -p 227 0J 33 131,-0.3 2,-0.3 -4,-0.2 133,-0.2 -0.955 63.5 -68.1 165.2-139.5 18.4 -23.1 -51.6 96 101 A S E -p 228 0J 55 131,-1.6 133,-2.8 -2,-0.3 2,-0.5 -0.925 19.2-136.5-145.2 169.2 20.6 -21.7 -48.9 97 102 A F E > -p 229 0J 22 -2,-0.3 3,-1.1 131,-0.2 133,-0.2 -0.929 27.2-135.0-135.5 103.2 21.4 -18.6 -46.9 98 103 A N T 3 S+ 0 0 42 131,-3.1 133,-0.1 -2,-0.5 -2,-0.0 -0.329 86.5 2.5 -60.2 135.7 25.1 -17.8 -46.6 99 104 A D T 3> S+ 0 0 96 1,-0.1 4,-1.6 3,-0.1 -1,-0.3 0.849 81.3 157.2 55.0 40.6 26.1 -16.8 -43.0 100 105 A Y H <> + 0 0 36 -3,-1.1 4,-2.4 1,-0.2 5,-0.2 0.917 69.1 50.2 -63.2 -45.9 22.6 -17.3 -41.8 101 106 A E H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 292,-0.2 0.873 108.0 53.8 -61.3 -37.7 23.6 -17.8 -38.1 102 107 A E H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 108.4 50.9 -63.5 -37.3 25.7 -14.6 -38.3 103 108 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.936 109.1 49.8 -63.1 -50.2 22.6 -12.8 -39.5 104 109 A K H X S+ 0 0 13 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.871 108.9 53.6 -54.6 -39.6 20.5 -14.3 -36.6 105 110 A H H >< S+ 0 0 85 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.890 103.8 55.4 -63.2 -41.6 23.3 -13.1 -34.2 106 111 A L H >< S+ 0 0 26 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.898 99.8 62.2 -54.8 -43.4 23.0 -9.5 -35.6 107 112 A L H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.3 157,-0.3 0.756 87.1 71.5 -56.2 -28.2 19.3 -9.6 -34.8 108 113 A S T << S+ 0 0 30 -3,-0.9 155,-2.1 -4,-0.7 -1,-0.3 0.549 104.3 41.3 -69.9 -8.2 20.0 -10.0 -31.0 109 114 A S T < S+ 0 0 51 -3,-1.8 152,-2.5 -4,-0.2 2,-0.4 0.270 103.2 84.3-115.0 9.6 21.2 -6.4 -30.9 110 115 A V E < +Q 260 0J 0 -3,-1.7 150,-0.3 150,-0.3 154,-0.2 -0.939 41.9 172.4-118.2 134.4 18.4 -5.0 -33.2 111 116 A K E + 0 0 49 148,-3.1 -33,-2.6 -2,-0.4 2,-0.3 0.453 68.5 14.3-119.1 -11.6 14.9 -4.0 -32.0 112 116AA H E -Q 259 0J 45 147,-1.3 146,-1.7 -35,-0.2 147,-1.6 -0.941 55.3-160.4-163.3 144.7 13.5 -2.4 -35.1 113 116BA F E -Q 257 0J 13 -38,-0.3 2,-0.5 -2,-0.3 144,-0.2 -0.904 11.9-148.4-114.2 155.1 14.0 -2.1 -38.9 114 116CA E E -Q 256 0J 97 142,-2.4 142,-2.3 -2,-0.3 2,-0.5 -0.997 23.2-139.2-114.1 122.0 12.6 0.4 -41.4 115 117 A K E -Q 255 0J 63 -2,-0.5 2,-0.4 140,-0.2 140,-0.2 -0.720 22.6-165.7 -84.0 127.8 12.2 -1.3 -44.7 116 118 A V E -Q 254 0J 41 138,-3.1 138,-2.0 -2,-0.5 2,-1.4 -0.952 24.6-127.6-120.7 130.8 13.4 1.0 -47.4 117 119 A K E +Q 253 0J 116 -2,-0.4 136,-0.3 136,-0.2 138,-0.0 -0.645 41.3 163.5 -75.6 91.7 12.7 0.6 -51.2 118 120 A I + 0 0 11 -2,-1.4 135,-0.2 134,-0.6 -1,-0.2 0.804 69.0 27.7 -86.5 -30.3 16.3 0.9 -52.4 119 121 A L S S- 0 0 14 133,-2.4 -1,-0.2 -3,-0.2 5,-0.1 -0.564 83.1-147.1-133.1 72.1 16.0 -0.6 -55.9 120 122 A P > - 0 0 43 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.077 12.0-135.0 -47.8 131.8 12.4 0.0 -57.2 121 123 A K G > S+ 0 0 76 1,-0.3 3,-2.2 2,-0.2 28,-0.0 0.833 100.0 67.7 -53.7 -42.5 11.4 -2.8 -59.5 122 125 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 3,-0.0 7,-0.0 0.674 88.4 69.2 -54.9 -20.3 9.9 -0.5 -62.2 123 126 A R G < S+ 0 0 198 -3,-1.5 2,-1.8 1,-0.2 -1,-0.3 0.579 72.7 87.9 -81.1 -10.6 13.5 0.7 -62.9 124 127 A W X + 0 0 26 -3,-2.2 3,-0.7 1,-0.2 -1,-0.2 -0.565 51.8 158.0 -83.7 73.4 14.5 -2.6 -64.4 125 128 A T T 3 + 0 0 106 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.681 66.4 50.0 -76.1 -18.3 13.3 -1.4 -67.9 126 129 A Q T 3 S+ 0 0 121 -3,-0.2 2,-0.3 2,-0.1 28,-0.3 0.431 109.3 53.5 -99.5 -3.4 15.5 -3.9 -69.9 127 130 A H S < S- 0 0 8 -3,-0.7 2,-0.3 26,-0.1 26,-0.2 -0.903 84.3-107.8-131.3 156.1 14.5 -7.1 -68.0 128 131 A T B +V 152 0K 39 24,-2.4 24,-2.4 -2,-0.3 26,-0.1 -0.654 30.5 176.4 -80.7 142.1 11.4 -8.9 -67.0 129 132 A T + 0 0 31 -2,-0.3 21,-0.4 22,-0.2 -1,-0.1 0.295 60.3 83.8-129.8 3.8 10.6 -8.7 -63.3 130 133 A T + 0 0 127 19,-0.1 21,-0.1 22,-0.0 -2,-0.0 0.565 61.1 127.4 -90.8 -10.8 7.3 -10.5 -63.0 131 134 A G + 0 0 23 19,-0.5 19,-0.4 1,-0.1 2,-0.2 -0.151 27.1 154.1 -56.1 134.1 8.8 -14.0 -62.8 132 135 A G - 0 0 29 12,-0.1 2,-0.3 10,-0.0 12,-0.2 -0.715 30.3-117.5-140.2-163.2 7.8 -16.4 -60.0 133 136 A S E > -W 143 0L 10 10,-3.2 10,-2.0 -2,-0.2 3,-1.2 -0.987 20.5-126.8-145.7 148.6 7.6 -20.1 -59.2 134 137 A R E > S+ 0 0 191 -2,-0.3 3,-1.3 1,-0.3 6,-0.1 0.683 110.4 71.5 -65.9 -18.5 5.0 -22.6 -58.2 135 138 A A E 3 S+ 0 0 18 1,-0.3 -1,-0.3 8,-0.1 9,-0.1 0.802 108.2 33.9 -64.9 -29.2 7.3 -23.2 -55.3 136 139 A C E < S+ 0 0 4 -3,-1.2 -1,-0.3 7,-0.4 -2,-0.2 -0.174 93.5 165.0-114.2 36.3 6.1 -19.8 -54.0 137 140 A A E < - 0 0 33 -3,-1.3 2,-0.4 5,-0.1 -3,-0.1 -0.202 20.7-165.5 -60.3 141.7 2.6 -20.1 -55.3 138 141 A V E > S-W 141 0L 47 3,-2.8 3,-1.3 1,-0.1 -2,-0.0 -0.995 75.6 -9.8-130.3 122.9 -0.2 -17.7 -54.1 139 142 A S T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.924 131.8 -53.4 53.1 48.2 -3.8 -18.6 -54.8 140 143 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -6,-0.1 -3,-0.1 0.555 118.1 107.7 66.8 11.0 -2.7 -21.4 -57.2 141 144 A N E < S-W 138 0L 107 -3,-1.3 -3,-2.8 -5,-0.1 -1,-0.2 -0.934 79.5 -93.9-121.6 144.7 -0.5 -19.1 -59.2 142 145 A P E + 0 0 59 0, 0.0 -8,-0.2 0, 0.0 2,-0.2 -0.249 56.6 157.0 -45.9 127.0 3.3 -18.7 -59.6 143 146 A S E -W 133 0L 26 -10,-2.0 -10,-3.2 -12,-0.0 -7,-0.4 -0.673 23.0-143.0-137.5-160.3 4.6 -16.0 -57.2 144 147 A F - 0 0 15 -12,-0.2 -12,-0.1 -2,-0.2 -10,-0.0 -0.985 39.3 -58.4-163.2 159.1 7.9 -15.0 -55.5 145 148 A F > - 0 0 3 -2,-0.3 3,-0.9 1,-0.1 -79,-0.2 -0.210 48.7-135.7 -37.6 126.1 9.6 -13.6 -52.3 146 149 A R T 3 S+ 0 0 83 -81,-3.5 -81,-0.2 1,-0.2 -1,-0.1 0.782 100.2 47.7 -65.9 -28.3 8.0 -10.1 -51.8 147 150 A N T 3 S+ 0 0 5 -83,-2.1 105,-2.6 105,-0.1 106,-1.0 0.493 105.9 73.3 -93.4 -3.4 11.3 -8.3 -51.1 148 151 A M E < -R 251 0J 9 -3,-0.9 2,-0.5 -84,-0.4 29,-0.1 -0.756 64.8-144.2-117.9 158.1 13.1 -9.8 -54.0 149 152 A V E -R 250 0J 2 101,-3.2 101,-2.0 -2,-0.3 2,-0.9 -0.981 7.3-151.0-123.2 125.0 13.1 -9.4 -57.8 150 153 A W E -R 249 0J 13 -2,-0.5 -19,-0.5 -21,-0.4 2,-0.5 -0.831 18.6-154.4 -93.5 103.6 13.7 -12.3 -60.2 151 154 A L + 0 0 0 97,-1.4 96,-0.4 -2,-0.9 2,-0.3 -0.676 23.1 167.8 -82.1 127.4 15.3 -10.7 -63.3 152 155 A T B -V 128 0K 14 -24,-2.4 -24,-2.4 -2,-0.5 40,-0.2 -0.855 39.7 -65.0-132.3 170.2 14.7 -12.7 -66.4 153 156 A E - 0 0 46 38,-3.7 2,-0.4 -2,-0.3 5,-0.2 -0.139 41.0-160.7 -46.0 140.7 15.0 -12.3 -70.2 154 157 A K B > S-X 157 0M 109 3,-3.6 3,-0.7 -28,-0.3 -1,-0.0 -0.981 75.7 -5.1-132.4 124.6 13.0 -9.7 -72.1 155 158 A G T 3 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.859 131.1 -58.7 62.5 37.5 12.4 -9.9 -75.9 156 159 A S T 3 S+ 0 0 77 1,-0.2 2,-0.4 34,-0.1 -1,-0.2 0.710 120.4 112.6 58.4 26.0 14.8 -12.9 -75.9 157 160 A N B < -X 154 0M 100 -3,-0.7 -3,-3.6 -31,-0.1 -1,-0.2 -0.979 44.8-179.5-127.6 139.6 17.4 -10.6 -74.4 158 161 A Y - 0 0 4 -2,-0.4 3,-0.1 -5,-0.2 -31,-0.1 -0.787 20.6-172.0-129.3 89.2 19.2 -10.3 -71.1 159 162 A P - 0 0 30 0, 0.0 85,-0.1 0, 0.0 35,-0.0 -0.301 48.9 -63.3 -68.8 163.2 21.5 -7.3 -71.3 160 163 A V - 0 0 77 1,-0.1 2,-0.6 85,-0.1 85,-0.2 -0.255 56.4-139.4 -49.4 128.4 24.0 -6.6 -68.5 161 164 A A E +Y 244 0N 0 83,-3.4 83,-2.2 -3,-0.1 2,-0.4 -0.895 27.1 175.6-102.1 118.4 21.9 -5.9 -65.4 162 165 A K E +Y 243 0N 144 -2,-0.6 2,-0.3 81,-0.2 81,-0.2 -0.993 6.8 164.9-129.7 128.6 23.3 -3.0 -63.3 163 166 A G E -Y 242 0N 12 79,-1.4 79,-3.3 -2,-0.4 2,-0.3 -0.986 10.2-170.8-140.5 148.6 21.8 -1.5 -60.1 164 167 A S E -Y 241 0N 67 -2,-0.3 2,-0.4 77,-0.2 77,-0.2 -0.998 5.2-172.0-143.9 139.3 23.4 0.8 -57.5 165 168 A Y E -Y 240 0N 34 75,-2.3 75,-2.8 -2,-0.3 2,-0.6 -0.971 11.6-154.3-138.6 126.3 22.4 2.2 -54.1 166 169 A N E -Y 239 0N 74 -2,-0.4 2,-1.7 73,-0.3 73,-0.3 -0.854 26.5-127.0 -92.6 116.7 24.1 4.8 -51.9 167 170 A N + 0 0 0 71,-3.1 70,-3.8 -2,-0.6 3,-0.3 -0.427 52.2 146.8 -67.9 88.8 23.2 4.3 -48.2 168 171 A T + 0 0 84 -2,-1.7 -1,-0.2 68,-0.2 68,-0.1 0.236 37.9 106.7-103.4 12.4 22.0 7.8 -47.4 169 172 A S S S- 0 0 27 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.671 90.1-115.5 -69.2 -19.8 19.4 6.4 -44.9 170 173 A G S S+ 0 0 38 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.330 86.2 57.5 98.2 -7.8 21.3 7.5 -41.8 171 174 A E S S- 0 0 52 64,-0.1 -1,-0.3 63,-0.0 -2,-0.2 -0.934 95.8 -75.1-144.1 169.0 22.0 4.0 -40.4 172 175 A Q - 0 0 52 -2,-0.3 85,-2.5 85,-0.2 2,-0.5 -0.430 50.8-146.6 -61.5 144.8 23.6 0.7 -41.3 173 176 A M E -ST 234 256J 0 61,-2.3 61,-3.0 83,-0.2 2,-0.4 -0.960 8.4-140.6-130.1 120.5 21.4 -1.2 -43.7 174 177 A L E -ST 233 255J 0 81,-2.6 81,-3.0 -2,-0.5 2,-0.4 -0.591 27.0-179.0 -70.7 124.1 20.9 -5.0 -44.1 175 178 A I E -S 232 0J 1 57,-2.5 57,-1.9 -2,-0.4 2,-0.4 -0.997 8.1-165.0-129.9 138.0 20.7 -5.9 -47.8 176 179 A I E +S 231 0J 7 77,-0.4 2,-0.3 -2,-0.4 55,-0.2 -0.912 11.1 169.0-121.8 143.6 20.1 -9.4 -49.2 177 180 A W E -S 230 0J 3 53,-2.1 53,-2.6 -2,-0.4 2,-0.3 -0.928 13.1-152.8-144.9 169.4 20.6 -10.8 -52.8 178 181 A G E -SU 229 249J 0 71,-2.5 71,-2.8 -2,-0.3 2,-0.4 -0.929 11.4-139.4-143.7 164.1 20.6 -14.2 -54.4 179 182 A V E -SU 228 248J 2 49,-2.0 49,-2.4 -2,-0.3 2,-0.6 -0.998 22.4-134.1-124.4 131.2 22.0 -16.3 -57.3 180 183 A H E -S 227 0J 0 67,-3.0 47,-0.2 -2,-0.4 -85,-0.1 -0.786 13.9-167.0 -86.4 120.7 19.8 -18.8 -59.1 181 184 A H E -S 226 0J 10 45,-3.3 45,-2.7 -2,-0.6 33,-0.1 -0.926 22.2-147.5-101.6 100.7 21.5 -22.2 -59.7 182 185 A P - 0 0 0 0, 0.0 33,-1.7 0, 0.0 3,-0.1 -0.171 16.3-129.8 -70.8 164.1 19.2 -23.9 -62.3 183 186 A N S S- 0 0 30 31,-0.2 2,-0.3 1,-0.2 31,-0.0 0.831 84.4 -2.9 -78.3 -35.0 18.5 -27.6 -62.7 184 187 A D S > S- 0 0 56 30,-0.1 4,-1.7 32,-0.1 -1,-0.2 -0.908 73.2 -97.3-154.6 171.0 19.3 -27.7 -66.5 185 188 A E H > S+ 0 0 109 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.798 117.3 60.6 -69.3 -31.4 20.3 -25.8 -69.6 186 189 A T H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 107.4 47.0 -62.1 -41.6 16.7 -25.4 -70.8 187 190 A E H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.894 112.2 50.8 -62.7 -42.8 16.0 -23.6 -67.6 188 191 A Q H X S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 5,-0.4 0.928 115.1 41.0 -60.1 -47.1 19.1 -21.4 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