==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 14-MAY-11 3S11 . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.M.DUBOIS,H.ZARAKET,M.REDDIVARI,R.J.HEATH,S.W.WHITE,C.J.RUS . 1480 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 935 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 288 19.5 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 29 2.0 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 . 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 . 129 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 0.9 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 0 0 3 1 7 2 0 0 0 1 1 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 9 9 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 . 15 13 18 6 2 6 3 0 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 . 9 12 3 3 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 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 0 128 0, 0.0 464,-0.0 0, 0.0 465,-0.0 0.000 360.0 360.0 360.0 -30.7 -5.2 -47.2 14.3 2 10 A G + 0 0 38 460,-0.1 2,-0.1 462,-0.1 462,-0.1 0.011 360.0 147.5-114.3 26.6 -5.3 -44.0 16.5 3 11 A D - 0 0 11 460,-0.3 460,-2.8 462,-0.2 2,-0.3 -0.399 28.3-171.1 -65.6 138.3 -3.3 -41.6 14.3 4 12 A Q E -AB 350 462A 50 346,-2.7 346,-2.3 458,-0.2 2,-0.3 -0.963 30.3-172.5-141.8 146.7 -4.6 -38.1 14.6 5 13 A I E -AB 349 461A 0 456,-1.6 456,-2.7 -2,-0.3 2,-0.4 -0.992 19.4-164.2-133.3 137.7 -4.5 -34.5 13.4 6 14 A a E -AB 348 460A 6 342,-2.1 342,-1.3 -2,-0.3 2,-0.5 -0.941 15.3-136.0-126.2 144.2 -6.2 -31.6 15.2 7 15 A I E +A 347 0A 2 452,-2.7 2,-0.3 -2,-0.4 340,-0.2 -0.851 39.5 157.0 -98.5 127.6 -7.1 -28.0 14.2 8 16 A G E -A 346 0A 0 338,-2.4 338,-2.3 -2,-0.5 2,-0.3 -0.947 30.9-133.5-150.7 169.6 -6.4 -25.4 16.8 9 17 A Y E -A 345 0A 3 326,-0.4 328,-3.0 -2,-0.3 336,-0.2 -0.817 35.5 -85.4-127.6 163.1 -5.7 -21.7 17.7 10 18 A H B +e 337 0B 17 334,-2.4 2,-0.3 -2,-0.3 328,-0.2 -0.279 36.1 179.9 -70.7 144.5 -3.3 -19.7 19.8 11 19 A A + 0 0 2 326,-1.3 2,-0.2 329,-0.2 329,-0.2 -0.987 9.2 164.5-140.8 143.6 -3.6 -19.0 23.5 12 19AA N - 0 0 35 -2,-0.3 310,-0.1 2,-0.1 324,-0.1 -0.724 50.3 -89.5-141.7-168.2 -1.2 -17.0 25.7 13 20 A N S S+ 0 0 146 -2,-0.2 2,-0.2 16,-0.1 16,-0.0 0.088 72.7 134.6 -98.9 21.6 -0.8 -15.3 29.1 14 21 A S - 0 0 32 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.474 33.7-176.6 -74.2 140.3 -2.0 -11.9 27.8 15 22 A T + 0 0 116 -2,-0.2 2,-0.2 12,-0.1 -1,-0.1 0.192 36.9 134.5-119.6 10.3 -4.5 -9.9 29.9 16 23 A E - 0 0 93 12,-0.4 12,-3.1 11,-0.1 2,-0.4 -0.452 42.2-152.0 -66.3 131.7 -5.0 -7.1 27.4 17 24 A Q E -F 27 0C 84 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.872 15.0-173.8-115.8 139.5 -8.7 -6.2 27.1 18 25 A V E -F 26 0C 0 8,-2.6 8,-2.7 -2,-0.4 2,-0.3 -0.874 17.2-130.7-122.5 160.9 -10.8 -4.8 24.2 19 26 A D - 0 0 33 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.824 18.7-175.3-108.6 150.2 -14.4 -3.7 23.9 20 27 A T - 0 0 7 3,-1.7 405,-0.1 -2,-0.3 404,-0.1 -0.828 44.0-100.4-128.2 174.5 -17.0 -4.5 21.2 21 28 A I S S+ 0 0 5 403,-0.3 1345,-0.3 -2,-0.3 1346,-0.1 0.760 124.0 29.2 -66.4 -25.1 -20.6 -3.3 20.6 22 31 A M S S+ 0 0 31 1,-0.3 2,-0.4 1341,-0.1 1340,-0.2 0.682 124.8 37.0-108.7 -24.9 -21.8 -6.5 22.2 23 32 A E - 0 0 82 1339,-0.1 -3,-1.7 1340,-0.0 3,-0.4 -0.963 64.2-157.6-138.9 122.5 -19.2 -7.5 24.7 24 33 A K S S+ 0 0 95 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.631 73.2 18.4 -93.5 152.6 -17.0 -5.3 27.0 25 34 A N S S+ 0 0 90 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.863 73.7 176.8 59.3 42.2 -13.7 -6.3 28.5 26 35 A V E -F 18 0C 5 -8,-2.7 -8,-2.6 -3,-0.4 2,-0.5 -0.661 30.5-128.1 -76.2 125.0 -12.9 -9.2 26.2 27 35AA T E -F 17 0C 51 -2,-0.5 294,-2.4 -10,-0.2 -10,-0.2 -0.658 33.1-166.6 -75.6 121.7 -9.5 -10.6 27.0 28 36 A V B -G 320 0D 0 -12,-3.1 -12,-0.4 -2,-0.5 292,-0.2 -0.702 26.5-132.7-114.6 164.4 -7.6 -10.7 23.7 29 37 A T S S+ 0 0 2 290,-2.1 2,-0.3 1,-0.3 -15,-0.1 0.785 92.9 12.4 -93.4 -32.2 -4.3 -12.4 22.7 30 38 A H S S+ 0 0 82 289,-0.2 288,-3.4 -16,-0.1 287,-2.1 -0.966 74.7 171.3-141.2 131.1 -2.6 -9.5 20.9 31 39 A A E -H 316 0E 28 -2,-0.3 2,-0.4 285,-0.2 285,-0.2 -0.827 21.5-142.8-130.0 173.1 -3.8 -5.9 21.1 32 40 A Q E -H 315 0E 83 283,-2.5 283,-3.3 -2,-0.3 2,-0.4 -0.952 8.8-147.5-141.7 119.6 -2.6 -2.5 20.1 33 41 A D E +H 314 0E 51 -2,-0.4 281,-0.2 281,-0.2 3,-0.0 -0.693 16.2 177.8 -80.2 135.9 -3.0 0.7 22.0 34 42 A I + 0 0 1 279,-2.1 259,-1.7 -2,-0.4 2,-0.5 0.228 51.1 91.3-123.8 10.8 -3.4 3.8 19.7 35 43 A L E -i 293 0F 1 278,-0.5 2,-0.5 257,-0.1 259,-0.2 -0.940 60.6-149.3-117.8 123.6 -4.0 6.5 22.4 36 44 A E E +i 294 0F 29 257,-3.2 259,-1.5 -2,-0.5 260,-0.2 -0.795 20.1 170.7 -87.2 125.0 -1.3 8.6 24.0 37 45 A K + 0 0 91 -2,-0.5 2,-0.3 257,-0.2 -1,-0.1 0.251 49.7 84.2-116.3 10.5 -2.2 9.6 27.6 38 46 A T + 0 0 93 250,-0.0 2,-0.3 2,-0.0 250,-0.3 -0.898 43.1 171.6-129.7 144.3 1.0 11.1 28.7 39 47 A H - 0 0 75 -2,-0.3 248,-0.2 248,-0.1 246,-0.0 -0.949 38.3-120.2-143.1 163.6 2.9 14.4 28.6 40 48 A N - 0 0 76 246,-2.0 245,-0.1 -2,-0.3 247,-0.1 0.507 40.6-128.7 -87.3 -5.3 6.1 15.9 30.1 41 49 A G S S+ 0 0 32 245,-0.3 2,-0.3 1,-0.2 244,-0.2 0.636 70.8 105.1 71.4 16.6 4.3 18.8 31.9 42 50 A K S S- 0 0 110 244,-0.1 2,-0.5 229,-0.1 244,-0.4 -0.891 71.0-120.3-130.0 155.9 6.7 21.4 30.4 43 51 A L E +k 273 0G 0 229,-1.0 231,-2.7 -2,-0.3 233,-0.4 -0.842 43.9 175.0 -92.4 131.1 6.9 24.1 27.8 44 52 A b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 2,-0.1 -0.724 34.7 -82.0-128.8 172.8 9.6 23.4 25.2 45 53 A D E -k 277 0G 24 231,-2.5 233,-1.9 -2,-0.2 2,-0.7 -0.464 38.7-127.6 -68.9 150.2 11.1 24.6 22.0 46 53AA L E > S-kL 278 49G 22 3,-2.6 3,-1.8 1,-0.2 233,-0.2 -0.935 85.7 -26.0-102.3 109.3 9.4 23.6 18.8 47 54 A D T 3 S- 0 0 101 231,-2.2 -1,-0.2 -2,-0.7 232,-0.1 0.913 128.5 -45.2 51.0 53.3 12.1 22.0 16.6 48 55 A G T 3 S+ 0 0 50 1,-0.2 2,-0.6 230,-0.2 -1,-0.3 0.245 114.7 117.5 80.4 -13.9 14.9 24.0 18.2 49 56 A V B < -L 46 0G 47 -3,-1.8 -3,-2.6 29,-0.0 -1,-0.2 -0.797 60.6-136.6 -94.1 118.4 12.9 27.2 18.1 50 57 A K - 0 0 105 -2,-0.6 29,-1.0 -5,-0.2 -5,-0.1 -0.402 16.2-125.5 -72.2 141.7 12.2 28.7 21.5 51 58 A P - 0 0 5 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.370 21.2-110.8 -77.6 166.0 8.8 30.1 22.3 52 59 A L E -m 81 0H 11 28,-2.8 30,-2.8 -2,-0.1 2,-0.7 -0.888 31.6-167.2 -95.7 104.5 8.1 33.6 23.6 53 60 A I E -m 82 0H 14 -2,-0.8 30,-0.1 28,-0.2 28,-0.0 -0.857 5.9-164.6 -91.5 117.4 6.9 33.2 27.2 54 61 A L > - 0 0 0 28,-2.3 3,-2.6 -2,-0.7 2,-0.2 0.553 15.9-171.7 -84.8 -6.7 5.5 36.6 28.3 55 62 A R T 3 S- 0 0 99 1,-0.3 29,-0.5 27,-0.2 -1,-0.2 -0.327 71.8 -7.4 58.6-117.3 5.5 35.7 32.0 56 63 A D T 3 S+ 0 0 80 -2,-0.2 33,-3.3 31,-0.1 -1,-0.3 0.353 121.5 89.4 -93.0 5.5 3.7 38.4 34.0 57 64 A c B < -o 89 0I 3 -3,-2.6 27,-0.4 31,-0.2 2,-0.2 -0.665 65.3-140.9-100.3 157.4 3.3 40.7 30.9 58 65 A S > - 0 0 4 31,-2.0 4,-3.3 -2,-0.2 5,-0.2 -0.681 32.8-100.6-108.2 168.1 0.6 40.8 28.3 59 66 A V H > S+ 0 0 0 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.915 127.1 46.3 -51.4 -48.0 0.7 41.2 24.5 60 67 A A H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.909 111.6 51.8 -61.5 -43.7 -0.2 44.9 25.0 61 68 A G H >>S+ 0 0 0 28,-0.3 5,-2.7 2,-0.2 4,-1.2 0.936 114.0 44.2 -57.9 -48.4 2.3 45.3 27.8 62 69 A W H ><5S+ 0 0 7 -4,-3.3 3,-0.6 3,-0.2 -2,-0.2 0.987 118.2 40.9 -57.1 -62.4 5.0 43.9 25.6 63 70 A L H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.791 118.0 44.9 -65.8 -33.8 4.2 45.8 22.4 64 71 A L H 3<5S- 0 0 0 -4,-2.6 84,-1.8 -5,-0.2 85,-0.4 0.704 114.3-115.8 -80.6 -20.3 3.5 49.2 24.0 65 72 A G T <<5 - 0 0 3 -4,-1.2 82,-3.6 -3,-0.6 -3,-0.2 0.906 30.5-159.6 84.2 47.5 6.6 48.8 26.2 66 73 A N > < - 0 0 5 -5,-2.7 3,-2.4 80,-0.2 -1,-0.1 -0.389 26.3-123.1 -49.8 127.8 5.2 48.7 29.7 67 74 A P G > S+ 0 0 0 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.742 112.0 60.1 -50.4 -26.3 8.2 49.6 32.0 68 75 A M G 3 S+ 0 0 90 1,-0.2 -12,-0.1 2,-0.1 3,-0.1 0.188 95.8 63.7 -88.3 14.2 7.7 46.3 33.8 69 76 A c G X + 0 0 6 -3,-2.4 3,-2.3 -8,-0.2 -1,-0.2 0.019 54.2 130.0-128.7 27.9 8.3 44.4 30.5 70 77 A D G X + 0 0 51 -3,-0.7 3,-1.8 1,-0.3 4,-0.3 0.728 62.9 74.6 -57.4 -24.9 12.0 45.3 29.7 71 78 A E G 3 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.747 100.0 46.3 -54.9 -23.7 12.8 41.5 29.2 72 79 A F G < S+ 0 0 11 -3,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.034 74.3 113.6-113.9 25.5 10.9 41.9 26.0 73 80 A I S < S+ 0 0 58 -3,-1.8 2,-0.4 1,-0.3 -1,-0.2 0.880 94.9 15.4 -60.6 -43.9 12.5 45.1 24.7 74 81 A N S S- 0 0 120 -4,-0.3 -1,-0.3 -3,-0.2 40,-0.1 -0.938 82.2-167.3-133.9 112.4 14.1 43.1 21.8 75 82 A V - 0 0 18 -2,-0.4 38,-0.3 -3,-0.3 3,-0.1 -0.850 11.0-139.9-106.0 131.4 12.7 39.7 21.2 76 82AA P - 0 0 97 0, 0.0 37,-0.2 0, 0.0 -1,-0.0 -0.266 49.8 -59.6 -73.2 170.9 14.3 37.0 18.9 77 83 A E - 0 0 81 35,-0.1 2,-0.3 1,-0.1 -27,-0.2 -0.253 61.5-161.2 -50.5 134.6 12.4 34.8 16.5 78 84 A W - 0 0 2 33,-3.0 3,-0.1 1,-0.1 -28,-0.1 -0.798 25.8-150.7-119.4 161.9 9.8 32.6 18.3 79 85 A S S S- 0 0 9 -29,-1.0 2,-0.3 1,-0.4 186,-0.2 0.864 83.0 -10.9 -92.9 -56.5 7.9 29.4 17.5 80 86 A Y - 0 0 0 184,-0.2 -28,-2.8 -31,-0.1 -1,-0.4 -0.849 67.8-119.9-134.2 173.4 4.8 30.1 19.6 81 87 A I E -mn 52 266H 0 184,-3.1 186,-3.7 -2,-0.3 2,-0.5 -0.964 17.7-156.0-118.2 133.8 3.7 32.7 22.3 82 88 A V E +mn 53 267H 3 -30,-2.8 -28,-2.3 -2,-0.4 2,-0.4 -0.938 15.0 178.6-109.8 130.0 2.7 31.8 25.8 83 89 A E E - n 0 268H 3 184,-3.0 186,-1.8 -2,-0.5 -25,-0.1 -0.986 25.0-123.1-130.0 141.9 0.4 34.1 27.8 84 90 A K - 0 0 30 -29,-0.5 186,-0.1 -27,-0.4 -28,-0.0 -0.374 26.8-115.6 -72.4 158.4 -1.1 33.8 31.3 85 91 A A S S+ 0 0 67 1,-0.3 -1,-0.1 -2,-0.1 185,-0.0 0.888 110.4 18.8 -62.1 -42.1 -4.8 34.1 31.9 86 92 A S S S- 0 0 107 -28,-0.0 -1,-0.3 3,-0.0 -28,-0.1 -0.601 80.4-165.2-131.8 73.8 -4.5 37.3 33.9 87 93 A P - 0 0 29 0, 0.0 -30,-0.1 0, 0.0 -31,-0.1 -0.343 12.2-148.7 -59.2 134.7 -1.1 38.9 33.2 88 94 A A S S+ 0 0 80 -32,-0.3 2,-1.1 1,-0.2 -31,-0.2 0.826 84.5 66.7 -75.0 -32.3 -0.3 41.6 35.8 89 95 A N B +o 57 0I 39 -33,-3.3 -31,-2.0 1,-0.1 -28,-0.3 -0.709 68.7 115.2 -99.5 85.2 1.6 43.9 33.5 90 96 A D S S- 0 0 62 -2,-1.1 2,-0.6 -33,-0.2 -24,-0.2 0.679 80.1 -5.8-111.2 -91.9 -0.9 45.2 30.9 91 96AA L - 0 0 18 1,-0.2 4,-0.1 4,-0.1 -1,-0.1 -0.902 58.6-175.0-111.0 96.0 -1.9 48.8 30.6 92 97 A d S S+ 0 0 14 -2,-0.6 -1,-0.2 1,-0.1 45,-0.0 0.967 82.0 52.9 -56.9 -54.0 -0.2 50.5 33.5 93 98 A Y S S- 0 0 4 -3,-0.1 135,-0.1 1,-0.1 129,-0.1 -0.768 110.9-111.0 -77.5 122.3 -1.9 53.8 32.5 94 99 A P + 0 0 7 0, 0.0 134,-1.8 0, 0.0 2,-0.3 -0.063 68.2 83.5 -61.3 154.1 -5.6 52.7 32.4 95 100 A G E -p 228 0J 27 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.995 67.3 -66.3 155.4-152.3 -7.6 52.6 29.1 96 101 A D E -p 229 0J 74 132,-1.7 134,-2.3 -2,-0.3 2,-0.6 -0.937 22.3-133.5-135.4 158.4 -8.3 50.3 26.2 97 102 A F E > -p 230 0J 21 -2,-0.3 3,-1.0 132,-0.2 2,-0.2 -0.972 32.3-129.8-110.0 116.1 -6.5 48.8 23.2 98 103 A N T 3 S- 0 0 58 132,-3.0 5,-0.1 -2,-0.6 134,-0.1 -0.491 86.0 -1.1 -71.1 131.3 -8.5 49.2 20.0 99 104 A N T 3> S+ 0 0 59 -2,-0.2 4,-1.8 3,-0.1 -1,-0.3 0.881 82.1 158.3 55.6 44.8 -9.0 46.0 18.0 100 105 A Y H <> + 0 0 33 -3,-1.0 4,-2.2 1,-0.2 5,-0.2 0.880 67.4 51.5 -66.3 -41.8 -6.9 44.1 20.5 101 106 A E H > S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.857 109.0 50.7 -67.9 -36.2 -8.3 40.6 19.5 102 107 A E H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 109.8 51.2 -66.2 -40.5 -7.6 41.2 15.8 103 108 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.903 108.0 51.7 -61.5 -42.7 -4.0 42.2 16.7 104 109 A K H X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.864 108.7 51.9 -61.3 -37.2 -3.5 39.0 18.7 105 110 A H H < S+ 0 0 30 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.865 109.2 48.5 -67.1 -39.4 -4.7 37.0 15.8 106 111 A L H >< S+ 0 0 44 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.882 107.5 56.7 -66.4 -39.1 -2.3 38.7 13.4 107 112 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.826 98.3 61.1 -56.9 -34.6 0.4 38.0 16.0 108 113 A S T 3< S+ 0 0 18 -4,-1.2 156,-1.1 1,-0.3 -1,-0.3 0.478 100.9 54.8 -75.5 -2.9 -0.5 34.3 15.8 109 114 A R T < S+ 0 0 103 -3,-1.7 153,-0.7 154,-0.2 2,-0.3 -0.044 101.9 77.7-112.6 25.8 0.5 34.5 12.1 110 115 A T E < +Q 261 0J 3 -3,-1.4 151,-0.2 151,-0.3 155,-0.1 -0.980 43.8 177.6-139.7 147.7 4.0 35.9 12.9 111 116 A N E S+ 0 0 14 149,-3.0 -33,-3.0 -2,-0.3 2,-0.4 0.532 72.1 41.1-120.8 -15.5 7.3 34.5 14.2 112 117 A H E -Q 260 0J 41 148,-1.1 147,-1.7 -35,-0.2 148,-1.1 -0.922 50.6-178.4-150.5 115.1 9.6 37.5 14.2 113 118 A F E -Q 258 0J 6 -2,-0.4 2,-0.5 -38,-0.3 -38,-0.3 -0.954 9.6-164.9-110.0 127.5 9.2 41.2 15.2 114 119 A E E -Q 257 0J 84 143,-2.3 143,-3.6 -2,-0.5 2,-0.4 -0.973 17.3-137.3-114.1 121.1 12.2 43.5 14.8 115 120 A K E +Q 256 0J 32 -2,-0.5 2,-0.3 141,-0.2 141,-0.2 -0.628 26.6 175.7 -82.8 124.6 11.8 46.8 16.6 116 121 A I E -Q 255 0J 33 139,-2.6 139,-3.2 -2,-0.4 2,-0.4 -0.958 31.2-117.2-128.6 150.6 12.9 50.0 14.8 117 122 A Q E +Q 254 0J 98 -2,-0.3 137,-0.3 137,-0.2 31,-0.0 -0.699 33.1 166.9 -84.1 129.7 12.7 53.7 15.7 118 123 A I S S+ 0 0 17 135,-3.2 136,-0.2 -2,-0.4 -1,-0.2 0.717 73.9 28.4-112.8 -38.4 10.5 55.8 13.4 119 124 A I S S- 0 0 7 134,-1.6 -1,-0.3 47,-0.0 47,-0.0 -0.894 83.8-138.8-125.6 102.2 10.2 59.1 15.3 120 125 A P > - 0 0 46 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.318 13.3-130.2 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