==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 25-JUN-12 4FQI . COMPND 2 MOLECULE: HEMAGGLUTININ HA1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR C.DREYFUS,I.A.WILSON . 926 5 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 268 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 91 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 0 3 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 4 3 4 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 PARALLEL BRIDGES PER LADDER . 10 7 12 6 2 12 2 1 2 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 5 3 1 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 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 8 A D 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.5 -0.1 63.0 12.3 2 9 A P - 0 0 112 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.151 360.0-135.8 -61.0 138.8 -0.3 63.2 8.5 3 10 A G - 0 0 20 1,-0.2 463,-0.1 465,-0.0 465,-0.1 -0.343 27.4 -80.0 -91.7 174.4 -3.5 64.6 7.1 4 11 A D - 0 0 24 463,-0.3 461,-2.5 461,-0.2 2,-0.3 -0.298 53.1-151.3 -63.9 156.9 -5.7 63.5 4.3 5 12 A Q E -AB 352 464A 54 347,-2.3 347,-2.3 459,-0.2 2,-0.4 -0.971 20.5-166.7-131.9 150.2 -4.5 64.6 0.8 6 13 A I E -AB 351 463A 0 457,-1.9 457,-2.5 -2,-0.3 2,-0.3 -0.997 15.9-167.2-129.6 142.0 -5.7 65.5 -2.6 7 14 A a E -AB 350 462A 16 343,-3.0 343,-2.1 -2,-0.4 2,-0.4 -0.931 14.0-140.3-124.3 151.5 -3.4 65.7 -5.6 8 15 A I E +A 349 0A 2 453,-2.3 2,-0.3 -2,-0.3 341,-0.2 -0.864 37.5 145.2-107.7 136.8 -3.9 67.2 -9.1 9 16 A G E -A 348 0A 0 339,-2.5 339,-2.4 -2,-0.4 2,-0.3 -0.883 32.4-123.8-157.9-170.1 -2.3 65.3 -12.0 10 17 A Y E -A 347 0A 6 327,-0.3 329,-3.1 -2,-0.3 337,-0.2 -0.921 35.3 -75.1-149.8 161.5 -2.8 64.4 -15.7 11 18 A H B +e 339 0B 15 335,-2.8 2,-0.3 -2,-0.3 329,-0.2 -0.323 42.5 172.5 -66.2 137.6 -2.9 61.4 -18.0 12 19 A A + 0 0 8 327,-1.5 2,-0.2 330,-0.3 330,-0.2 -0.940 4.2 164.4-136.4 157.0 0.2 59.4 -19.1 13 20 A N - 0 0 37 -2,-0.3 327,-0.1 2,-0.1 325,-0.1 -0.811 50.6 -85.2-153.2-166.5 0.5 56.2 -21.0 14 21 A N S S+ 0 0 142 -2,-0.2 16,-0.1 16,-0.1 308,-0.0 0.263 70.7 138.8-100.3 19.4 2.9 54.1 -22.9 15 22 A S - 0 0 25 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.293 32.9-174.4 -60.5 138.9 2.7 55.9 -26.3 16 23 A T + 0 0 110 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.201 41.1 130.8-114.5 14.2 5.8 56.5 -28.2 17 24 A E - 0 0 111 12,-0.4 12,-2.6 13,-0.1 2,-0.3 -0.403 41.8-157.5 -65.3 142.4 4.1 58.6 -30.9 18 25 A Q E -F 28 0C 69 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.910 14.5-173.6-126.1 150.2 5.9 61.9 -31.6 19 26 A V E -F 27 0C 0 8,-2.2 8,-3.2 -2,-0.3 2,-0.3 -0.926 19.4-125.9-131.5 167.3 5.0 65.3 -33.0 20 27 A D - 0 0 47 295,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.823 21.3-177.7-111.4 150.0 6.9 68.4 -33.9 21 28 A T - 0 0 1 3,-2.9 406,-0.2 -2,-0.3 405,-0.1 -0.698 45.0 -94.4-125.6-174.8 6.3 72.0 -32.8 22 29 A I S S+ 0 0 83 404,-0.7 405,-0.1 -2,-0.2 404,-0.1 0.942 123.5 30.4 -68.4 -43.7 8.1 75.3 -33.7 23 30 A M S S+ 0 0 140 403,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.554 125.0 38.0 -93.2 -10.1 10.5 75.2 -30.7 24 31 A E - 0 0 79 3,-0.0 -3,-2.9 0, 0.0 2,-0.3 -0.988 61.7-154.8-142.7 146.2 10.8 71.4 -30.3 25 32 A K S S+ 0 0 116 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.896 72.8 17.7-118.6 156.5 11.1 68.3 -32.5 26 33 A N S S+ 0 0 99 -2,-0.3 2,-0.6 1,-0.2 -6,-0.2 0.920 73.3 178.2 58.3 47.1 10.2 64.6 -31.7 27 34 A V E -F 19 0C 9 -8,-3.2 -8,-2.2 -3,-0.2 2,-0.3 -0.757 26.2-131.3 -82.6 120.1 8.0 65.4 -28.8 28 35 A T E -F 18 0C 44 -2,-0.6 294,-2.6 -10,-0.2 2,-0.3 -0.556 32.1-176.9 -74.0 131.2 6.5 62.2 -27.3 29 36 A V B -G 321 0D 0 -12,-2.6 -12,-0.4 -2,-0.3 292,-0.2 -0.876 37.3-122.5-128.6 161.1 2.7 62.5 -26.8 30 37 A T S S+ 0 0 3 290,-2.4 2,-0.3 -2,-0.3 -13,-0.1 0.835 96.3 0.5 -67.7 -35.2 -0.1 60.4 -25.3 31 38 A H + 0 0 27 289,-0.2 288,-2.1 -16,-0.1 287,-1.4 -0.986 67.9 172.4-155.6 142.6 -2.2 60.5 -28.5 32 39 A A E -H 317 0E 31 -2,-0.3 2,-0.5 285,-0.2 285,-0.2 -0.943 24.7-127.3-151.1 171.5 -1.8 62.1 -32.0 33 40 A Q E -H 316 0E 45 283,-2.9 283,-2.8 -2,-0.3 2,-0.3 -0.961 11.3-147.3-127.7 114.3 -3.5 62.2 -35.4 34 41 A D E +H 315 0E 53 -2,-0.5 281,-0.2 281,-0.2 3,-0.0 -0.595 17.3 179.6 -70.4 136.9 -1.7 61.5 -38.7 35 42 A I + 0 0 0 279,-2.3 259,-1.4 -2,-0.3 2,-0.5 0.299 50.5 89.1-124.3 13.0 -3.4 63.6 -41.4 36 43 A L E -i 294 0F 1 278,-0.5 2,-0.5 257,-0.1 259,-0.2 -0.941 63.2-146.7-120.5 119.6 -1.3 62.7 -44.4 37 44 A E E +i 295 0F 11 257,-3.1 259,-1.7 -2,-0.5 260,-0.2 -0.731 23.0 168.9 -82.3 125.9 -2.1 59.7 -46.8 38 45 A K + 0 0 87 -2,-0.5 2,-0.3 257,-0.2 -1,-0.1 0.358 47.9 83.1-116.7 -0.9 1.1 58.2 -48.1 39 46 A K + 0 0 141 250,-0.1 2,-0.3 2,-0.0 250,-0.2 -0.829 42.9 169.3-110.6 153.0 -0.2 55.0 -49.7 40 47 A H - 0 0 74 -2,-0.3 248,-0.2 248,-0.1 246,-0.0 -0.929 39.5-117.3-146.9 170.0 -1.7 54.1 -53.0 41 48 A N - 0 0 77 246,-2.2 245,-0.1 -2,-0.3 247,-0.1 0.443 38.0-128.0 -94.7 0.7 -2.6 50.8 -54.8 42 49 A G S S+ 0 0 30 245,-0.3 2,-0.3 1,-0.2 244,-0.2 0.620 72.1 104.6 69.2 13.7 -0.3 51.2 -57.8 43 50 A K S S- 0 0 108 244,-0.1 2,-0.6 229,-0.1 244,-0.5 -0.866 72.7-119.6-125.3 160.1 -3.1 50.5 -60.3 44 51 A L E -k 274 0G 0 229,-0.9 231,-2.5 -2,-0.3 233,-0.3 -0.871 45.6-174.5 -95.2 121.3 -5.3 52.4 -62.7 45 52 A b E - 0 0 0 -2,-0.6 233,-0.3 229,-0.2 2,-0.1 -0.631 32.0 -87.6-115.5 167.3 -8.9 52.0 -61.7 46 53 A D E -k 278 0G 30 231,-3.1 233,-1.9 -2,-0.2 2,-0.7 -0.429 43.5-128.7 -60.7 146.7 -12.5 52.7 -62.7 47 54 A L E > S-kL 279 50G 26 3,-2.5 3,-1.5 231,-0.2 233,-0.2 -0.937 81.1 -27.7-106.1 108.2 -13.6 56.0 -61.3 48 55 A D T 3 S- 0 0 104 231,-2.7 -1,-0.2 -2,-0.7 232,-0.1 0.907 130.3 -43.9 50.2 46.5 -16.8 55.5 -59.4 49 55AA G T 3 S+ 0 0 50 230,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.380 115.7 112.3 89.5 -5.5 -17.7 52.6 -61.6 50 56 A V B < -L 47 0G 48 -3,-1.5 -3,-2.5 -5,-0.0 30,-0.2 -0.906 62.7-132.3-108.2 122.8 -16.7 54.1 -64.9 51 57 A K - 0 0 96 -2,-0.5 29,-0.9 -5,-0.2 -5,-0.1 -0.389 19.7-121.1 -75.7 141.1 -13.7 52.6 -66.7 52 58 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 30,-0.2 -0.392 22.3-112.9 -69.4 159.0 -11.0 54.8 -68.1 53 59 A L E -m 82 0H 12 28,-2.3 30,-2.9 -2,-0.1 2,-0.7 -0.852 35.2-165.7 -86.3 111.5 -10.1 54.8 -71.8 54 60 A I E -m 83 0H 10 -2,-0.7 30,-0.1 28,-0.2 220,-0.1 -0.914 8.2-164.2-106.1 108.9 -6.5 53.4 -71.7 55 61 A L > - 0 0 0 28,-2.5 3,-2.5 -2,-0.7 2,-0.1 0.536 12.9-169.3 -75.1 -5.8 -4.9 54.0 -75.0 56 62 A R T 3 S- 0 0 107 1,-0.3 29,-0.5 27,-0.2 -1,-0.2 -0.333 74.2 -8.3 56.0-117.4 -2.0 51.5 -74.5 57 63 A D T 3 S+ 0 0 68 -2,-0.1 33,-3.1 12,-0.1 2,-0.3 0.345 118.0 96.7 -96.4 12.2 0.5 52.2 -77.3 58 64 A c B < -o 90 0I 4 -3,-2.5 27,-0.4 31,-0.2 33,-0.2 -0.768 62.7-141.5-101.5 143.8 -1.7 54.6 -79.2 59 65 A S > - 0 0 2 31,-2.3 4,-2.7 -2,-0.3 5,-0.2 -0.464 33.7-104.9 -86.4 165.1 -1.8 58.4 -79.1 60 66 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.913 125.4 51.2 -53.2 -42.2 -4.9 60.5 -79.1 61 67 A A H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.932 109.4 50.9 -61.6 -43.9 -4.1 61.4 -82.8 62 68 A G H >>S+ 0 0 0 28,-0.3 5,-2.5 1,-0.2 4,-0.9 0.907 113.4 45.6 -61.7 -42.9 -3.7 57.6 -83.6 63 69 A W H <5S+ 0 0 4 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.972 117.1 41.1 -60.5 -57.4 -7.0 56.9 -82.0 64 70 A L H <5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.827 120.2 41.0 -72.4 -32.8 -9.0 59.7 -83.6 65 71 A L H <5S- 0 0 0 -4,-2.8 84,-2.3 -5,-0.2 85,-0.4 0.672 113.9-118.8 -82.1 -20.2 -7.6 59.5 -87.1 66 72 A G T <5 - 0 0 8 -4,-0.9 82,-3.0 -5,-0.4 -3,-0.2 0.915 27.8-161.1 84.4 47.3 -7.7 55.7 -86.9 67 73 A N > < - 0 0 2 -5,-2.5 3,-2.8 80,-0.2 -1,-0.1 -0.362 27.3-125.8 -50.9 130.0 -4.1 54.5 -87.2 68 74 A P G > S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.764 109.9 63.3 -70.1 -14.0 -4.7 50.9 -88.2 69 75 A M G 3 S+ 0 0 100 1,-0.2 3,-0.3 2,-0.1 -12,-0.1 0.637 96.0 64.9 -71.9 -11.1 -2.4 49.7 -85.3 70 76 A c G X + 0 0 5 -3,-2.8 3,-2.5 -8,-0.2 -1,-0.2 0.028 59.5 128.2-100.6 30.9 -5.1 51.4 -83.1 71 77 A D G X + 0 0 40 -3,-0.8 3,-1.5 1,-0.3 4,-0.2 0.713 58.3 74.9 -69.4 -14.1 -7.9 49.1 -84.0 72 78 A E G 3 S+ 0 0 114 -3,-0.3 -1,-0.3 1,-0.2 3,-0.3 0.807 100.7 46.8 -56.1 -24.6 -8.7 48.4 -80.3 73 79 A F G < + 0 0 11 -3,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.088 69.1 119.2-111.8 25.8 -10.2 51.9 -80.3 74 80 A I S < S+ 0 0 68 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.892 97.4 5.5 -63.1 -38.1 -12.3 51.8 -83.5 75 81 A N S S- 0 0 111 -3,-0.3 -1,-0.3 -4,-0.2 40,-0.1 -0.971 81.7-166.8-138.6 131.5 -15.3 52.4 -81.3 76 82 A V - 0 0 19 -2,-0.3 38,-0.4 -3,-0.2 40,-0.1 -0.964 16.2-125.7-122.3 142.9 -14.8 53.1 -77.6 77 83 A P - 0 0 103 0, 0.0 37,-0.1 0, 0.0 38,-0.0 -0.229 51.2 -62.8 -77.6 173.6 -17.4 53.2 -74.8 78 83AA E - 0 0 76 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.237 61.8-160.9 -54.4 138.9 -18.0 56.1 -72.4 79 84 A W - 0 0 2 33,-2.9 3,-0.1 1,-0.1 -28,-0.1 -0.855 27.1-148.3-124.5 163.8 -14.9 56.7 -70.3 80 85 A S S S- 0 0 9 -29,-0.9 2,-0.3 1,-0.4 -1,-0.1 0.799 84.5 -11.6 -95.3 -42.0 -14.1 58.5 -67.0 81 86 A Y - 0 0 0 184,-0.2 -28,-2.3 -30,-0.1 -1,-0.4 -0.945 69.7-119.7-149.8 165.7 -10.6 59.7 -67.8 82 87 A I E -mn 53 267H 0 184,-2.7 186,-3.7 -2,-0.3 2,-0.5 -0.901 16.7-154.0-113.1 140.6 -8.1 58.9 -70.6 83 88 A V E +mn 54 268H 3 -30,-2.9 -28,-2.5 -2,-0.4 2,-0.4 -0.958 15.8 176.5-116.4 124.4 -4.7 57.5 -70.1 84 89 A E E - n 0 269H 2 184,-2.7 186,-1.5 -2,-0.5 -25,-0.1 -0.976 27.7-121.0-124.8 139.7 -2.0 58.1 -72.6 85 90 A K - 0 0 26 -29,-0.5 186,-0.1 -2,-0.4 -28,-0.0 -0.282 29.8-110.6 -70.4 163.2 1.7 57.0 -72.5 86 91 A A S S+ 0 0 49 1,-0.3 -1,-0.1 183,-0.0 185,-0.0 0.892 110.5 11.8 -60.4 -41.4 4.5 59.7 -72.5 87 92 A N S S- 0 0 142 -28,-0.0 -1,-0.3 -29,-0.0 -28,-0.1 -0.639 81.4-161.1-139.0 75.1 5.6 58.7 -76.0 88 93 A P - 0 0 24 0, 0.0 -30,-0.1 0, 0.0 -31,-0.1 -0.362 12.5-145.2 -59.2 136.8 3.0 56.3 -77.7 89 94 A V S S+ 0 0 110 1,-0.2 2,-0.9 -32,-0.1 -31,-0.2 0.796 86.7 66.2 -77.6 -25.3 4.6 54.4 -80.6 90 95 A N B S+o 58 0I 32 -33,-3.1 -31,-2.3 1,-0.1 -28,-0.3 -0.794 70.1 111.3-101.1 99.2 1.4 54.4 -82.7 91 96 A D S S+ 0 0 62 -2,-0.9 2,-1.3 -33,-0.2 3,-0.2 0.223 80.9 0.2-133.0-112.3 0.7 58.0 -83.6 92 96AA L - 0 0 21 1,-0.2 4,-0.1 4,-0.1 137,-0.1 -0.720 62.8-177.2 -91.7 92.2 1.0 59.5 -87.1 93 97 A d S S+ 0 0 12 -2,-1.3 -1,-0.2 1,-0.1 -31,-0.0 0.940 81.5 48.0 -56.6 -47.6 2.0 56.3 -89.0 94 98 A Y S S- 0 0 5 -3,-0.2 135,-0.1 44,-0.1 129,-0.1 -0.860 112.0-115.7 -87.9 122.5 2.3 58.4 -92.2 95 99 A P + 0 0 10 0, 0.0 134,-2.7 0, 0.0 2,-0.3 -0.084 66.2 92.5 -66.9 158.9 4.4 61.3 -90.9 96 100 A G E -p 229 0J 32 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.963 65.9 -74.7 161.0-140.5 3.2 64.9 -90.7 97 101 A D E -p 230 0J 93 132,-1.5 134,-2.5 -2,-0.3 2,-0.5 -0.969 19.7-133.2-150.9 161.5 1.5 67.1 -88.1 98 102 A F E > -p 231 0J 7 -2,-0.3 3,-1.0 132,-0.2 134,-0.2 -0.975 33.4-126.4-124.6 115.5 -1.9 67.6 -86.6 99 103 A N T 3 S- 0 0 52 132,-3.2 134,-0.1 -2,-0.5 5,-0.1 -0.336 85.6 -1.5 -65.6 140.5 -2.9 71.3 -86.5 100 104 A D T 3> S+ 0 0 99 1,-0.1 4,-1.9 3,-0.1 -1,-0.3 0.866 81.8 158.9 46.3 42.9 -3.9 72.7 -83.0 101 105 A Y H <> + 0 0 32 -3,-1.0 4,-2.3 1,-0.2 5,-0.2 0.868 66.7 51.1 -64.3 -41.8 -3.4 69.3 -81.5 102 106 A E H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 108.3 52.6 -68.9 -36.2 -3.0 70.5 -77.9 103 107 A E H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 109.7 49.6 -63.3 -35.4 -6.2 72.6 -78.2 104 108 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 108.4 52.3 -67.5 -40.5 -8.0 69.5 -79.3 105 109 A K H X S+ 0 0 8 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.916 106.9 54.4 -64.0 -35.4 -6.6 67.5 -76.4 106 110 A H H >< S+ 0 0 74 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.919 107.4 49.3 -61.2 -43.6 -7.9 70.2 -74.2 107 111 A L H >< S+ 0 0 62 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.917 106.2 57.2 -60.3 -41.1 -11.4 69.8 -75.6 108 112 A L H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.781 91.7 71.6 -61.8 -23.8 -11.2 66.1 -75.1 109 113 A S T << S+ 0 0 16 -4,-1.2 156,-1.0 -3,-0.5 -1,-0.3 0.627 102.2 42.6 -72.4 -9.3 -10.6 66.8 -71.4 110 114 A R T < S+ 0 0 139 -3,-2.2 153,-1.4 -4,-0.3 2,-0.4 0.085 100.1 85.5-115.7 17.5 -14.2 67.8 -71.1 111 115 A I E < +Q 262 0J 12 -3,-1.7 151,-0.3 151,-0.3 155,-0.1 -0.949 44.3 178.6-118.0 141.4 -15.8 65.0 -73.2 112 116 A N E + 0 0 12 149,-3.0 -33,-2.9 -2,-0.4 2,-0.3 0.531 67.3 21.8-118.2 -11.4 -16.7 61.5 -71.8 113 117 A H E -Q 261 0J 41 148,-1.5 147,-1.7 -35,-0.2 148,-1.5 -0.921 53.3-167.4-161.7 130.6 -18.2 59.8 -74.9 114 118 A F E -Q 259 0J 11 -38,-0.4 2,-0.5 -2,-0.3 145,-0.2 -0.824 13.3-151.4 -96.9 166.5 -18.3 59.9 -78.8 115 119 A E E -Q 258 0J 94 143,-2.0 143,-2.7 -2,-0.3 2,-0.4 -0.972 24.3-141.4-117.9 117.6 -20.6 58.2 -81.2 116 120 A K E -Q 257 0J 35 -2,-0.5 2,-0.4 141,-0.2 141,-0.2 -0.590 26.3-173.4 -73.6 127.4 -18.5 57.8 -84.3 117 121 A I E -Q 256 0J 33 139,-2.9 139,-2.3 -2,-0.4 2,-0.6 -0.927 28.2-116.4-127.7 146.8 -20.7 58.4 -87.4 118 122 A Q E +Q 255 0J 97 -2,-0.4 137,-0.2 137,-0.2 31,-0.0 -0.741 35.1 168.2 -79.7 123.6 -20.2 58.1 -91.1 119 123 A I S S+ 0 0 15 135,-2.5 136,-0.2 -2,-0.6 -1,-0.2 0.685 73.0 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3,-0.1 -0.831 35.1 176.4 -87.9 128.8 -10.1 56.5 -106.7 130 132 A A S S+ 0 0 16 -2,-0.6 22,-0.2 23,-0.2 3,-0.2 0.468 71.1 53.1-108.1 -3.1 -10.9 55.8 -103.0 131 133 A S S S+ 0 0 87 1,-0.1 -1,-0.1 20,-0.1 22,-0.1 0.263 91.1 70.3-120.8 16.8 -9.1 52.6 -102.4 132 133AA L + 0 0 100 20,-0.3 2,-1.9 1,-0.1 -1,-0.1 0.388 65.2 102.8-106.6 -0.0 -5.6 53.3 -103.6 133 134 A G + 0 0 8 19,-0.3 19,-0.4 -3,-0.2 2,-0.3 -0.480 54.3 122.7 -87.7 69.0 -4.6 55.7 -100.8 134 135 A V - 0 0 71 -2,-1.9 2,-0.3 12,-0.1 12,-0.2 -0.827 38.6-163.7-127.3 165.2 -2.4 53.3 -98.9 135 136 A S E > -W 145 0L 8 10,-2.1 3,-1.8 -2,-0.3 10,-1.4 -0.999 35.1-128.1-154.0 145.7 1.2 53.2 -97.7 136 137 A S E 3 S+ 0 0 82 -2,-0.3 -1,-0.1 1,-0.3 10,-0.1 0.694 109.6 70.0 -62.5 -16.7 3.9 51.0 -96.4 137 138 A A E 3 S+ 0 0 10 1,-0.3 -1,-0.3 8,-0.1 9,-0.1 0.768 102.1 45.6 -71.9 -22.4 4.2 53.7 -93.6 138 139 A d E < S+ 0 0 1 -3,-1.8 7,-0.8 7,-0.3 -1,-0.3 -0.529 83.2 179.3-119.8 63.7 0.9 52.4 -92.3 139 140 A P E -W 144 0L 65 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.332 9.2-176.9 -72.4 146.6 1.1 48.6 -92.4 140 141 A Y E > S-W 143 0L 75 3,-2.6 3,-1.5 -71,-0.0 -71,-0.0 -0.905 70.9 -23.3-139.8 117.2 -1.7 46.4 -91.2 141 142 A Q T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.940 128.5 -47.1 52.2 49.8 -1.4 42.6 -91.1 142 143 A G T 3 S+ 0 0 83 1,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.510 120.7 97.3 70.9 8.6 1.4 42.6 -93.6 143 144 A K E < S-W 140 0L 162 -3,-1.5 -3,-2.6 -5,-0.1 -1,-0.1 -0.963 80.9 -98.4-126.0 148.0 -0.3 44.9 -96.1 144 145 A S E +W 139 0L 64 -2,-0.4 -8,-0.2 -5,-0.2 2,-0.2 -0.310 55.3 155.3 -54.2 137.3 -0.1 48.7 -96.9 145 146 A S E -W 135 0L 19 -10,-1.4 -10,-2.1 -7,-0.8 -7,-0.3 -0.566 24.7-144.0-146.9-157.4 -3.0 50.6 -95.2 146 147 A F - 0 0 13 -12,-0.2 -12,-0.1 -2,-0.2 -13,-0.0 -0.977 45.3 -49.5-168.5 167.6 -3.8 54.1 -93.9 147 148 A F > - 0 0 3 -2,-0.3 3,-0.6 1,-0.1 -80,-0.2 -0.318 51.3-143.3 -48.3 131.3 -5.7 56.0 -91.3 148 149 A R T 3 S+ 0 0 79 -82,-3.0 -82,-0.2 1,-0.2 -1,-0.1 0.679 88.6 55.8 -76.5 -25.1 -9.2 54.5 -91.1 149 150 A N T 3 S+ 0 0 2 -84,-2.3 105,-2.4 105,-0.1 106,-2.0 0.587 107.8 47.2 -93.3 -5.2 -11.3 57.6 -90.5 150 151 A V E < S-R 253 0J 5 -3,-0.6 2,-0.5 -85,-0.4 29,-0.1 -0.876 76.4-131.7-129.8 161.2 -10.1 59.6 -93.5 151 152 A V E -R 252 0J 4 101,-2.7 101,-2.2 -2,-0.3 2,-1.2 -0.967 5.6-144.9-124.5 118.4 -9.7 58.7 -97.2 152 153 A W E -R 251 0J 20 -2,-0.5 -19,-0.3 -19,-0.4 -20,-0.3 -0.710 29.0-151.8 -80.2 96.7 -6.6 59.5 -99.2 153 154 A L - 0 0 0 97,-1.3 2,-0.3 -2,-1.2 96,-0.2 -0.492 11.9-165.7 -76.6 141.3 -8.3 60.2 -102.6 154 155 A I B -V 129 0K 16 -25,-2.4 -25,-3.1 -2,-0.2 40,-0.2 -0.870 29.8 -90.7-130.1 151.1 -6.3 59.5 -105.8 155 156 A K - 0 0 39 38,-2.7 2,-0.4 -2,-0.3 5,-0.2 -0.254 38.1-139.8 -60.2 158.9 -6.9 60.5 -109.4 156 157 A K B > S-X 159 0M 81 3,-2.8 3,-1.6 -29,-0.4 -1,-0.1 -0.988 74.4 -8.5-127.7 127.5 -9.0 58.2 -111.6 157 158 A N T 3 S- 0 0 150 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.945 128.8 -57.3 53.0 51.6 -8.2 57.5 -115.3 158 159 A S T 3 S+ 0 0 75 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.681 120.6 102.0 50.4 23.7 -5.6 60.2 -115.2 159 160 A T B < -X 156 0M 68 -3,-1.6 -3,-2.8 -32,-0.1 -1,-0.1 -0.987 48.5-170.2-131.3 148.1 -8.2 62.8 -114.1 160 161 A Y - 0 0 7 -2,-0.3 -32,-0.1 -5,-0.2 3,-0.1 -0.797 21.4-158.6-133.8 90.6 -9.0 64.5 -110.8 161 162 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 85,-0.1 -0.274 36.5 -84.5 -62.9 155.4 -12.2 66.4 -111.2 162 163 A T - 0 0 76 85,-0.1 2,-0.3 1,-0.1 85,-0.2 -0.443 45.4-137.5 -67.2 124.2 -13.0 69.2 -108.8 163 164 A I E +Y 246 0N 6 83,-3.3 83,-1.6 -2,-0.3 2,-0.3 -0.683 25.2 175.2 -80.1 134.6 -14.6 67.9 -105.6 164 165 A K E +Y 245 0N 153 -2,-0.3 2,-0.4 81,-0.2 81,-0.2 -0.888 16.1 156.1-136.1 104.7 -17.5 69.8 -104.0 165 166 A R E -Y 244 0N 67 79,-2.1 79,-3.1 -2,-0.3 2,-0.3 -0.994 17.6-170.1-135.3 143.2 -19.1 68.0 -101.1 166 167 A S E -Y 243 0N 79 -2,-0.4 2,-0.4 77,-0.2 77,-0.2 -0.914 7.4-163.2-127.5 153.6 -21.1 69.2 -98.1 167 168 A Y E -Y 242 0N 37 75,-2.1 75,-2.6 -2,-0.3 2,-0.5 -0.977 9.2-153.8-138.1 125.2 -22.3 67.7 -94.9 168 169 A N E -Y 241 0N 74 -2,-0.4 2,-1.7 73,-0.3 73,-0.3 -0.845 20.3-129.1 -95.3 122.1 -25.1 69.2 -92.7 169 170 A N + 0 0 1 71,-3.2 70,-3.3 -2,-0.5 71,-0.2 -0.537 33.9 170.8 -72.1 91.3 -25.0 68.4 -89.0 170 171 A T + 0 0 113 -2,-1.7 -1,-0.2 68,-0.2 2,-0.2 0.302 48.0 95.9 -83.5 7.8 -28.6 67.3 -88.6 171 172 A N S S- 0 0 34 2,-0.2 68,-0.4 66,-0.1 4,-0.1 -0.527 79.1-127.2 -90.6 171.4 -27.9 66.0 -85.0 172 173 A Q S S+ 0 0 172 -2,-0.2 2,-0.3 66,-0.1 -1,-0.1 0.510 87.9 78.6 -89.2 -9.5 -28.5 67.9 -81.7 173 174 A E S S- 0 0 68 64,-0.1 -2,-0.2 1,-0.1 87,-0.1 -0.710 89.4-104.1-104.7 148.5 -24.9 67.3 -80.7 174 175 A D - 0 0 37 85,-0.3 85,-2.7 -2,-0.3 2,-0.4 -0.420 36.9-141.2 -60.1 153.2 -21.7 69.1 -81.8 175 176 A L E -ST 236 258J 0 61,-1.9 61,-3.3 83,-0.2 2,-0.7 -0.971 4.8-143.9-124.8 128.1 -19.6 67.0 -84.2 176 177 A L E -ST 235 257J 3 81,-3.2 81,-2.8 -2,-0.4 2,-0.4 -0.807 25.3-168.0 -87.3 116.6 -15.8 66.8 -84.3 177 178 A V E -S 234 0J 0 57,-2.5 57,-1.8 -2,-0.7 2,-0.4 -0.914 3.8-167.7-112.0 132.6 -14.7 66.6 -88.0 178 179 A L E +S 233 0J 1 -2,-0.4 2,-0.3 77,-0.4 55,-0.2 -0.925 15.2 154.4-121.4 141.4 -11.2 65.7 -89.2 179 180 A W E -S 232 0J 1 53,-2.0 53,-2.9 -2,-0.4 2,-0.3 -0.917 17.1-158.2-154.1 174.9 -9.6 66.1 -92.6 180 181 A G E -SU 231 251J 0 71,-2.3 71,-2.8 -2,-0.3 2,-0.4 -0.944 12.9-132.4-152.5 172.1 -6.1 66.4 -94.1 181 182 A I E -SU 230 250J 1 49,-2.1 49,-2.5 -2,-0.3 2,-0.5 -0.987 20.7-132.7-131.9 146.0 -3.8 67.5 -96.9 182 183 A H E -S 229 0J 1 67,-2.2 47,-0.2 -2,-0.4 -86,-0.1 -0.870 10.6-160.2-100.0 128.7 -1.0 65.6 -98.5 183 184 A H E -S 228 0J 8 45,-3.4 45,-2.0 -2,-0.5 34,-0.1 -0.874 22.6-154.2-102.9 102.7 2.3 67.5 -99.0 184 185 A P - 0 0 0 0, 0.0 33,-0.7 0, 0.0 3,-0.1 -0.037 19.4-116.0 -78.3-179.4 4.2 65.5 -101.6 185 186 A N S S- 0 0 30 1,-0.2 2,-0.3 31,-0.2 32,-0.1 0.828 82.3 -16.6 -85.6 -38.3 7.9 65.2 -102.4 186 187 A D S > S- 0 0 76 30,-0.1 4,-1.9 32,-0.1 3,-0.3 -0.949 73.7 -86.3-159.7 173.7 8.2 66.7 -105.8 187 188 A A H > S+ 0 0 71 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.782 119.9 57.6 -58.6 -33.2 6.3 67.8 -108.9 188 189 A A 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