==== 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 VIRAL PROTEIN / IMMUNE SYSTEM 20-FEB-09 3GBM . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/VIET NAM/1203/200 . AUTHOR D.C.EKIERT,M.A.ELSLIGER,I.A.WILSON . 1829 16 20 17 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 85557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1121 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 491 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 22 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 155 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 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 5 1 1 4 1 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 6 7 9 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 . 20 17 27 7 3 18 5 3 3 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 . 8 9 9 4 2 4 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 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 -4.1 -79.6 -5.8 2 9 A P - 0 0 108 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.308 360.0-131.6 -64.1 155.2 -1.6 -77.7 -8.0 3 10 A G - 0 0 19 1,-0.2 465,-0.1 465,-0.0 463,-0.1 -0.646 27.4 -80.6-108.4 168.4 1.6 -76.6 -6.2 4 11 A D - 0 0 25 463,-0.3 461,-1.9 -2,-0.2 2,-0.3 -0.089 52.5-150.2 -56.8 167.6 3.4 -73.4 -6.0 5 12 A Q E -AB 352 464A 56 347,-2.4 347,-2.6 459,-0.2 2,-0.4 -0.993 21.6-166.1-144.1 148.0 5.6 -72.6 -9.0 6 13 A I E -AB 351 463A 0 457,-1.6 457,-2.5 -2,-0.3 2,-0.3 -0.997 16.9-166.7-130.3 136.4 8.8 -70.8 -10.0 7 14 A a E -AB 350 462A 11 343,-3.2 343,-2.1 -2,-0.4 2,-0.4 -0.906 14.3-138.2-119.5 148.5 9.6 -70.2 -13.6 8 15 A I E +A 349 0A 2 453,-2.7 2,-0.2 -2,-0.3 341,-0.2 -0.863 39.8 143.2-106.0 144.0 12.8 -69.0 -15.3 9 16 A G E -A 348 0A 0 339,-1.7 339,-1.8 -2,-0.4 2,-0.3 -0.868 33.6-116.8-163.9-173.0 12.5 -66.4 -18.1 10 17 A Y E -A 347 0A 1 -2,-0.2 329,-3.9 337,-0.2 337,-0.2 -0.965 33.1 -80.2-152.3 161.3 14.0 -63.4 -19.8 11 18 A H B +e 339 0B 11 335,-2.5 2,-0.3 -2,-0.3 329,-0.2 -0.280 38.1 175.9 -68.6 137.8 13.5 -59.8 -20.6 12 19 A A + 0 0 1 327,-1.4 2,-0.3 330,-0.2 330,-0.2 -0.898 7.6 164.9-129.7 159.0 11.4 -58.6 -23.5 13 20 A N - 0 0 36 -2,-0.3 327,-0.1 2,-0.2 325,-0.1 -0.850 50.2 -87.5-156.5-167.6 10.6 -55.1 -24.4 14 21 A N S S+ 0 0 142 -2,-0.3 2,-0.1 16,-0.1 16,-0.0 0.105 71.3 137.4-102.8 20.4 9.2 -52.9 -27.2 15 22 A S - 0 0 20 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.422 33.6-175.5 -63.9 137.9 12.5 -52.3 -29.0 16 23 A T + 0 0 117 -2,-0.1 -1,-0.1 14,-0.1 2,-0.1 0.042 39.7 134.6-116.2 16.2 12.6 -52.6 -32.8 17 24 A E - 0 0 103 12,-0.5 12,-2.8 13,-0.1 2,-0.4 -0.468 42.2-155.0 -61.2 141.6 16.4 -52.2 -32.9 18 25 A Q E -F 28 0C 65 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.970 15.8-169.2-135.9 137.1 17.8 -54.8 -35.3 19 26 A V E -F 27 0C 0 8,-3.1 8,-3.1 -2,-0.4 2,-0.3 -0.891 17.5-128.5-124.6 151.9 21.1 -56.5 -35.8 20 27 A D - 0 0 44 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.718 19.6-173.5 -95.5 155.2 22.6 -58.7 -38.5 21 28 A T - 0 0 7 3,-1.6 406,-0.1 -2,-0.3 3,-0.1 -0.858 40.9-107.1-139.8 157.6 24.2 -62.1 -38.1 22 29 A I S S+ 0 0 88 404,-0.5 3,-0.1 -2,-0.3 405,-0.1 0.893 122.6 34.3 -62.7 -30.2 26.1 -64.4 -40.6 23 30 A M S S+ 0 0 156 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.546 127.4 26.3 -97.3 -14.3 23.0 -66.7 -40.6 24 31 A E - 0 0 84 -3,-0.1 -3,-1.6 3,-0.0 3,-0.3 -0.942 64.8-152.4-158.6 126.4 20.1 -64.3 -40.1 25 32 A K S S+ 0 0 114 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.604 74.5 23.5 -98.9 158.9 19.7 -60.6 -41.0 26 33 A N S S+ 0 0 96 -2,-0.2 2,-0.4 1,-0.2 -6,-0.2 0.866 71.5 175.5 54.7 45.9 17.4 -58.1 -39.2 27 34 A V E -F 19 0C 3 -8,-3.1 -8,-3.1 -3,-0.3 2,-0.4 -0.717 30.1-127.8 -79.4 129.7 17.2 -59.9 -35.9 28 35 A T E -F 18 0C 48 -2,-0.4 294,-3.1 -10,-0.2 2,-0.3 -0.659 31.8-166.9 -87.8 129.4 15.2 -57.8 -33.5 29 36 A V B -G 321 0D 0 -12,-2.8 -12,-0.5 -2,-0.4 292,-0.2 -0.884 32.5-130.7-125.1 147.7 17.1 -57.2 -30.3 30 37 A T S S+ 0 0 2 290,-3.1 2,-0.3 -2,-0.3 291,-0.1 0.820 96.4 7.9 -55.3 -40.3 16.3 -55.9 -26.8 31 38 A H S S+ 0 0 24 289,-0.3 288,-2.0 -16,-0.1 287,-1.8 -0.984 70.1 171.1-148.9 148.8 19.3 -53.5 -26.8 32 39 A A E -H 317 0E 18 -2,-0.3 2,-0.4 285,-0.2 285,-0.2 -0.936 21.2-139.2-153.8 166.4 21.8 -52.5 -29.5 33 40 A Q E -H 316 0E 45 283,-2.4 283,-2.3 -2,-0.3 2,-0.2 -0.924 8.5-147.3-144.1 115.3 24.6 -50.1 -30.1 34 41 A D E +H 315 0E 49 -2,-0.4 281,-0.2 281,-0.2 3,-0.0 -0.594 17.7 176.7 -74.3 139.5 25.3 -48.2 -33.3 35 42 A I + 0 0 2 279,-2.1 259,-1.6 -2,-0.2 2,-0.5 0.182 50.9 90.4-130.2 13.5 29.1 -47.6 -33.6 36 43 A L E -i 294 0F 0 278,-0.5 2,-0.5 257,-0.1 259,-0.2 -0.965 64.5-146.5-114.2 123.8 29.2 -45.9 -37.1 37 44 A E E +i 295 0F 23 257,-2.8 259,-1.3 -2,-0.5 260,-0.3 -0.811 22.5 170.7 -87.7 123.5 29.0 -42.1 -37.3 38 45 A K + 0 0 85 -2,-0.5 2,-0.4 257,-0.2 -1,-0.1 0.376 47.4 89.2-113.3 0.5 27.1 -41.0 -40.4 39 46 A K + 0 0 157 250,-0.1 250,-0.4 2,-0.0 2,-0.3 -0.850 39.6 164.2-111.5 138.2 26.7 -37.3 -39.8 40 47 A H - 0 0 72 -2,-0.4 248,-0.2 248,-0.1 246,-0.1 -0.864 37.7-124.1-134.2 174.8 28.8 -34.3 -40.5 41 48 A N - 0 0 72 246,-1.7 245,-0.1 -2,-0.3 247,-0.1 0.364 36.4-122.4-106.1 5.1 28.0 -30.6 -40.5 42 49 A G S S+ 0 0 32 245,-0.3 2,-0.3 1,-0.2 244,-0.2 0.638 73.4 107.2 67.9 14.7 29.0 -29.6 -44.1 43 50 A K - 0 0 74 244,-0.1 244,-0.7 229,-0.1 2,-0.5 -0.903 67.9-126.6-125.0 155.2 31.5 -26.9 -43.0 44 51 A L E -k 274 0G 0 229,-1.2 231,-3.4 -2,-0.3 232,-0.3 -0.890 43.3-179.5 -92.0 128.0 35.2 -26.3 -42.8 45 52 A b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 5,-0.1 -0.803 35.8 -81.8-125.8 161.8 36.2 -25.3 -39.2 46 53 A D E -k 278 0G 32 231,-2.1 233,-1.8 -2,-0.3 2,-0.8 -0.327 45.2-127.7 -45.5 138.0 39.1 -24.3 -37.0 47 54 A L E > S-kL 279 50G 24 3,-2.3 3,-1.3 231,-0.2 2,-0.3 -0.891 72.9 -46.2 -99.4 104.0 40.8 -27.5 -35.9 48 55 A D T 3 S- 0 0 97 231,-3.0 231,-0.2 -2,-0.8 -2,-0.1 -0.566 127.9 -18.6 61.1-128.8 40.9 -27.0 -32.1 49 55AA G T 3 S+ 0 0 65 -2,-0.3 2,-0.6 1,-0.1 -1,-0.3 0.870 120.9 90.3 -67.9 -30.8 42.0 -23.5 -31.6 50 56 A V B < -L 47 0G 45 -3,-1.3 -3,-2.3 -4,-0.1 30,-0.2 -0.577 64.9-144.1 -97.4 114.2 43.5 -23.0 -35.0 51 57 A K - 0 0 94 -2,-0.6 29,-0.5 -5,-0.3 -5,-0.1 -0.365 28.8-119.0 -59.8 137.6 41.8 -21.7 -38.1 52 58 A P - 0 0 2 0, 0.0 2,-1.1 0, 0.0 30,-0.2 -0.416 22.0-107.0 -75.1 158.0 42.9 -23.3 -41.4 53 59 A L E -m 82 0H 13 28,-2.0 30,-2.3 -2,-0.1 2,-1.1 -0.761 36.5-166.6 -80.9 98.4 44.4 -21.5 -44.3 54 60 A I E -m 83 0H 19 -2,-1.1 30,-0.1 28,-0.2 2,-0.1 -0.781 4.9-159.4 -90.9 95.8 41.6 -21.4 -46.8 55 61 A L - 0 0 2 28,-1.3 5,-0.1 -2,-1.1 15,-0.0 -0.462 12.2-157.5 -58.2 144.0 43.1 -20.4 -50.1 56 62 A R - 0 0 116 -2,-0.1 29,-0.4 3,-0.1 -1,-0.2 0.719 69.9 -18.2 -98.5 -92.6 40.1 -19.3 -52.0 57 63 A D S S+ 0 0 71 12,-0.1 33,-2.6 31,-0.1 2,-0.3 0.209 115.6 104.5 -94.2 12.1 40.5 -19.3 -55.8 58 64 A c B -o 90 0I 4 31,-0.2 27,-0.4 30,-0.1 2,-0.2 -0.661 61.2-141.4 -93.0 153.3 44.4 -19.5 -55.4 59 65 A S > - 0 0 3 31,-1.9 4,-2.0 -2,-0.3 5,-0.1 -0.565 32.9-105.5 -92.9 169.3 46.7 -22.4 -55.9 60 66 A V H > S+ 0 0 0 2,-0.2 4,-2.6 -2,-0.2 5,-0.3 0.885 125.0 50.3 -63.5 -36.9 49.7 -23.1 -53.7 61 67 A A H >>S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.990 108.7 51.4 -64.4 -56.3 51.9 -21.9 -56.5 62 68 A G H >>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 4,-1.3 0.833 114.1 45.4 -43.1 -41.5 49.8 -18.8 -56.9 63 69 A W H <5S+ 0 0 7 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.957 115.4 42.1 -74.4 -50.2 50.2 -18.1 -53.2 64 70 A L H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.902 122.2 40.3 -66.8 -42.5 53.9 -18.7 -52.7 65 71 A L H <5S- 0 0 0 -4,-3.0 84,-2.2 -5,-0.3 85,-0.4 0.778 112.6-123.8 -77.3 -28.2 54.9 -16.9 -55.9 66 72 A G T << - 0 0 8 -4,-1.3 82,-2.8 -5,-0.5 -3,-0.2 0.942 22.2-156.1 86.7 50.4 52.3 -14.2 -55.2 67 73 A N > < - 0 0 3 -5,-2.6 3,-2.7 80,-0.2 80,-0.1 -0.358 29.2-117.6 -46.0 131.3 50.1 -14.1 -58.2 68 74 A P G > S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.797 115.2 57.8 -49.4 -33.1 48.6 -10.5 -58.1 69 75 A M G 3 S+ 0 0 89 1,-0.2 3,-0.3 2,-0.1 -12,-0.1 0.500 96.0 65.7 -75.4 -6.5 45.1 -12.0 -57.7 70 76 A c G X + 0 0 5 -3,-2.7 3,-1.9 -8,-0.2 -1,-0.2 0.024 59.7 128.6-104.3 27.7 46.3 -13.9 -54.5 71 77 A D G X + 0 0 38 -3,-0.8 3,-2.0 1,-0.3 4,-0.2 0.759 55.9 75.6 -60.0 -27.8 46.9 -10.7 -52.4 72 78 A E G 3 S+ 0 0 120 1,-0.3 3,-0.3 -3,-0.3 -1,-0.3 0.736 96.4 52.2 -53.1 -22.0 44.8 -12.0 -49.4 73 79 A F G X + 0 0 10 -3,-1.9 3,-0.6 1,-0.2 -1,-0.3 0.084 69.1 117.0-109.2 20.5 47.7 -14.3 -48.6 74 80 A I T < S+ 0 0 77 -3,-2.0 2,-0.2 1,-0.3 -1,-0.2 0.881 94.9 9.0 -57.5 -42.2 50.5 -11.8 -48.5 75 81 A N T 3 S- 0 0 116 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.0 -0.612 85.2-167.9-144.5 82.1 51.2 -12.5 -44.8 76 82 A V < - 0 0 18 -3,-0.6 38,-0.2 -2,-0.2 3,-0.1 -0.402 16.6-123.1 -87.8 142.1 49.3 -15.4 -43.4 77 83 A P - 0 0 102 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.262 49.8 -70.4 -71.5 165.0 48.8 -16.5 -39.8 78 83AA E - 0 0 93 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.259 62.0-155.8 -55.6 140.1 49.7 -19.9 -38.4 79 84 A W - 0 0 3 33,-2.5 3,-0.1 1,-0.1 -28,-0.1 -0.771 29.0-151.8-126.1 162.9 47.4 -22.5 -39.8 80 85 A S S S- 0 0 10 -29,-0.5 2,-0.3 1,-0.5 186,-0.2 0.762 84.3 -6.4-104.0 -43.9 46.0 -25.9 -39.0 81 86 A Y - 0 0 0 184,-0.2 -28,-2.0 -31,-0.1 -1,-0.5 -0.976 65.9-125.7-145.9 160.7 45.3 -27.2 -42.5 82 87 A I E -mn 53 267H 0 184,-2.7 186,-2.6 -2,-0.3 2,-0.5 -0.860 18.7-155.8-102.1 140.1 45.4 -25.8 -45.9 83 88 A V E +mn 54 268H 2 -30,-2.3 -28,-1.3 -2,-0.4 2,-0.4 -0.978 15.1 177.7-119.6 127.2 42.3 -26.0 -48.2 84 89 A E E - n 0 269H 4 184,-3.1 186,-1.2 -2,-0.5 -25,-0.1 -0.980 26.7-120.4-131.6 137.7 42.8 -25.8 -51.9 85 90 A K - 0 0 23 -27,-0.4 186,-0.1 -29,-0.4 -29,-0.0 -0.265 27.0-113.3 -74.0 165.2 40.2 -26.1 -54.6 86 91 A A S S+ 0 0 50 1,-0.3 -1,-0.1 183,-0.0 185,-0.0 0.922 109.8 17.4 -65.9 -44.2 40.4 -28.9 -57.2 87 92 A N S S- 0 0 140 -28,-0.0 -1,-0.3 4,-0.0 -28,-0.1 -0.659 80.9-155.8-133.9 78.0 41.0 -26.4 -60.0 88 93 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 -30,-0.1 -0.284 8.5-150.3 -51.9 125.4 42.2 -23.0 -58.7 89 94 A V S S+ 0 0 112 1,-0.2 2,-0.8 -32,-0.1 -31,-0.2 0.828 89.0 59.1 -65.4 -33.3 41.4 -20.3 -61.2 90 95 A N B S+o 58 0I 37 -33,-2.6 -31,-1.9 1,-0.1 -1,-0.2 -0.799 70.8 112.2-108.4 94.0 44.4 -18.3 -60.0 91 96 A D S S- 0 0 63 -2,-0.8 2,-1.3 -33,-0.2 3,-0.2 0.350 82.5 -0.5-126.7-109.5 47.5 -20.4 -60.4 92 96AA L - 0 0 25 1,-0.2 4,-0.1 4,-0.1 137,-0.1 -0.626 60.5-177.6 -94.5 80.8 50.3 -19.4 -62.9 93 97 A d S S+ 0 0 14 -2,-1.3 -1,-0.2 1,-0.1 129,-0.0 0.861 81.8 52.3 -45.8 -48.6 48.9 -16.2 -64.5 94 98 A Y S S- 0 0 0 -3,-0.2 135,-0.2 44,-0.1 129,-0.1 -0.838 111.9-113.4 -83.6 116.1 52.0 -16.2 -66.7 95 99 A P + 0 0 8 0, 0.0 134,-1.8 0, 0.0 2,-0.3 -0.034 65.7 94.1 -58.1 154.6 51.9 -19.7 -68.2 96 100 A G E -p 229 0J 21 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.918 61.6 -71.9 166.6-140.6 54.6 -22.1 -67.3 97 101 A D E -p 230 0J 108 132,-1.9 134,-2.7 -2,-0.3 2,-0.5 -0.979 20.5-138.6-162.3 150.1 55.7 -24.8 -64.9 98 102 A F E > -p 231 0J 22 -2,-0.3 3,-1.3 132,-0.2 134,-0.2 -0.967 27.7-127.0-129.6 112.4 56.8 -25.3 -61.4 99 103 A N T 3 S- 0 0 57 132,-2.6 5,-0.1 -2,-0.5 -2,-0.0 -0.295 85.9 -7.5 -68.3 139.3 59.6 -27.7 -60.7 100 104 A D T 3> S+ 0 0 94 1,-0.1 4,-1.8 3,-0.1 -1,-0.3 0.828 83.0 161.0 44.7 42.9 59.1 -30.5 -58.2 101 105 A Y H <> + 0 0 31 -3,-1.3 4,-2.1 1,-0.2 5,-0.2 0.884 69.3 47.4 -62.4 -40.3 55.8 -28.9 -57.3 102 106 A E H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 108.0 54.6 -71.4 -37.9 54.3 -32.0 -55.7 103 107 A E H > S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.868 111.4 46.9 -63.8 -30.1 57.4 -32.6 -53.6 104 108 A L H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.867 108.9 52.5 -74.9 -40.2 57.1 -29.1 -52.3 105 109 A K H X S+ 0 0 7 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.860 107.7 54.8 -60.8 -35.4 53.3 -29.5 -51.6 106 110 A H H >< S+ 0 0 100 -4,-2.3 3,-0.6 1,-0.2 4,-0.2 0.890 104.2 52.5 -65.0 -42.5 54.4 -32.6 -49.7 107 111 A L H >< S+ 0 0 58 -4,-1.3 3,-1.8 1,-0.2 -1,-0.2 0.872 104.1 57.9 -58.0 -40.8 56.8 -30.6 -47.6 108 112 A L H >< S+ 0 0 1 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.737 87.8 73.6 -63.3 -28.0 53.9 -28.2 -46.7 109 113 A S T << S+ 0 0 29 -4,-1.0 156,-1.4 -3,-0.6 -1,-0.3 0.688 103.1 43.9 -60.4 -15.3 51.9 -31.0 -45.3 110 114 A R T < S+ 0 0 135 -3,-1.8 153,-2.5 -4,-0.2 2,-0.4 0.308 99.7 87.8-106.1 6.9 54.4 -30.7 -42.5 111 115 A I E < +Q 262 0J 13 -3,-1.9 151,-0.3 151,-0.3 3,-0.1 -0.910 39.9 174.7-116.1 134.9 54.5 -26.9 -42.1 112 116 A N E + 0 0 17 149,-2.9 -33,-2.5 -2,-0.4 2,-0.3 0.510 69.2 22.5-110.9 -12.2 52.2 -24.8 -39.9 113 117 A H E -Q 261 0J 43 148,-1.3 147,-1.8 -35,-0.2 148,-1.5 -0.827 51.3-170.6-162.3 124.9 53.7 -21.3 -40.3 114 118 A F E -Q 259 0J 11 -2,-0.3 2,-0.5 -38,-0.2 145,-0.2 -0.840 11.7-154.7 -98.0 145.3 55.8 -19.3 -42.7 115 119 A E E -Q 258 0J 93 143,-1.9 143,-2.7 -2,-0.3 2,-0.3 -0.982 20.9-138.5-114.1 118.7 57.2 -15.8 -42.0 116 120 A K E +Q 257 0J 31 -2,-0.5 2,-0.3 141,-0.2 141,-0.2 -0.559 26.4 179.7 -77.9 126.5 57.9 -14.0 -45.2 117 121 A I E -Q 256 0J 28 139,-3.1 139,-2.8 -2,-0.3 2,-0.5 -0.925 30.7-118.6-124.9 155.3 61.1 -12.0 -45.3 118 122 A Q E +Q 255 0J 89 -2,-0.3 137,-0.3 137,-0.2 31,-0.0 -0.816 35.0 166.8 -88.3 126.0 62.8 -9.8 -48.0 119 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