==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 29-MAR-13 4BGX . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA VIRUS; . AUTHOR X.XIONG,P.COOMBS,S.R MARTIN,J.LIU,H.XIAO,J.W.MCCAULEY,K.LOCH . 483 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 19.7 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 2.1 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 . 2 0.4 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 . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 2 1 0 0 0 0 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 . 4 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 1 A D 0 0 58 0, 0.0 461,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.9 36.1 -16.2 -82.4 2 2 A Q E -AB 349 461A 51 347,-2.0 347,-2.2 459,-0.2 2,-0.4 -0.986 360.0-151.6-151.2 155.8 37.4 -17.3 -79.0 3 3 A I E -AB 348 460A 0 457,-1.9 457,-2.5 -2,-0.3 2,-0.3 -0.996 21.1-164.6-127.9 137.8 36.6 -19.0 -75.7 4 4 A a E -AB 347 459A 6 343,-2.6 343,-2.0 -2,-0.4 2,-0.4 -0.907 14.9-138.1-123.0 149.1 38.6 -18.2 -72.6 5 5 A I E +A 346 0A 1 453,-2.3 2,-0.3 -2,-0.3 341,-0.2 -0.900 40.5 145.9-104.3 136.9 39.0 -19.8 -69.2 6 6 A G E -A 345 0A 0 339,-2.5 339,-2.0 -2,-0.4 2,-0.3 -0.895 34.1-117.2-157.6-176.0 39.0 -17.5 -66.2 7 7 A Y E -A 344 0A 1 327,-0.3 329,-3.0 -2,-0.3 337,-0.2 -0.870 33.7 -84.0-138.2 163.6 38.2 -16.8 -62.6 8 8 A H B +e 336 0B 16 335,-2.3 2,-0.3 -2,-0.3 329,-0.2 -0.269 36.7 177.0 -67.9 144.6 36.1 -14.6 -60.4 9 9 A A + 0 0 3 327,-1.4 2,-0.3 330,-0.4 330,-0.1 -0.942 5.9 166.7-137.7 162.8 37.1 -11.2 -59.1 10 10 A N - 0 0 29 -2,-0.3 327,-0.1 310,-0.2 325,-0.1 -0.892 50.8 -82.6-159.5-170.9 35.3 -8.6 -57.0 11 11 A N S S+ 0 0 149 -2,-0.3 16,-0.0 326,-0.1 326,-0.0 0.274 74.5 136.4 -90.7 12.7 35.6 -5.5 -54.9 12 12 A S - 0 0 21 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.278 33.3-178.6 -66.6 140.9 36.7 -7.3 -51.8 13 13 A T + 0 0 116 14,-0.1 -1,-0.1 12,-0.1 2,-0.1 0.127 39.2 131.5-119.4 12.0 39.6 -6.0 -49.6 14 14 A E - 0 0 98 12,-0.4 12,-2.6 13,-0.1 2,-0.3 -0.444 41.6-159.1 -61.1 141.7 39.5 -8.8 -47.1 15 15 A Q E -F 25 0C 71 10,-0.3 2,-0.3 -2,-0.1 10,-0.2 -0.934 12.4-169.2-128.1 149.5 43.1 -10.2 -46.6 16 16 A V E -F 24 0C 0 8,-2.0 8,-2.6 -2,-0.3 2,-0.3 -0.931 18.1-126.2-132.7 158.5 44.5 -13.5 -45.3 17 17 A D - 0 0 44 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.807 22.4-179.1-103.2 147.0 48.0 -14.6 -44.3 18 18 A T - 0 0 6 3,-2.9 406,-0.2 -2,-0.3 405,-0.1 -0.791 44.0 -99.3-126.4 175.4 49.9 -17.7 -45.5 19 19 A I S S+ 0 0 90 404,-0.5 3,-0.1 -2,-0.3 405,-0.1 0.894 122.2 33.5 -61.3 -42.3 53.4 -19.0 -44.6 20 20 A M S S+ 0 0 169 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.541 126.3 30.9 -93.6 -12.1 55.0 -17.5 -47.7 21 21 A E - 0 0 87 -3,-0.1 -3,-2.9 3,-0.0 2,-0.3 -0.973 62.9-154.3-155.8 132.7 53.0 -14.3 -48.0 22 22 A K S S+ 0 0 154 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.738 73.7 21.0-107.1 153.9 51.1 -12.0 -45.7 23 23 A N S S+ 0 0 96 -2,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.868 71.2 175.1 59.3 45.8 48.1 -9.7 -46.5 24 24 A V E -F 16 0C 3 -8,-2.6 -8,-2.0 -3,-0.3 2,-0.3 -0.714 29.2-129.7 -82.3 120.1 46.9 -11.5 -49.6 25 25 A T E -F 15 0C 47 -2,-0.5 294,-2.5 -10,-0.2 2,-0.3 -0.564 31.4-172.6 -73.9 133.3 43.6 -9.9 -50.8 26 26 A V B -G 318 0D 0 -12,-2.6 -12,-0.4 -2,-0.3 292,-0.2 -0.879 34.0-127.9-130.3 157.9 40.9 -12.5 -51.4 27 27 A T S S+ 0 0 3 290,-2.3 2,-0.3 -2,-0.3 -15,-0.1 0.788 95.4 12.9 -75.3 -31.3 37.5 -12.5 -52.9 28 28 A H + 0 0 72 289,-0.2 288,-2.2 -16,-0.1 287,-2.0 -0.994 67.5 165.6-148.6 146.2 35.9 -14.2 -49.9 29 29 A A E -H 314 0E 28 -2,-0.3 2,-0.4 285,-0.2 285,-0.2 -0.936 24.2-136.2-153.3 167.0 37.0 -15.0 -46.3 30 30 A Q E -H 313 0E 80 283,-2.3 283,-2.2 -2,-0.3 2,-0.2 -0.921 11.5-145.3-140.0 109.2 35.7 -16.0 -43.0 31 31 A D E +H 312 0E 56 -2,-0.4 281,-0.2 281,-0.2 3,-0.0 -0.519 18.0 178.1 -64.8 134.8 36.6 -14.5 -39.7 32 32 A I + 0 0 0 279,-2.3 259,-1.5 -2,-0.2 2,-0.5 0.283 51.6 88.2-123.3 7.4 36.6 -17.3 -36.9 33 33 A L E -i 291 0F 0 278,-0.6 2,-0.5 257,-0.1 259,-0.3 -0.945 64.9-145.4-114.8 120.1 37.8 -15.2 -33.9 34 34 A E E +i 292 0F 24 257,-3.1 259,-1.6 -2,-0.5 260,-0.2 -0.730 22.9 170.8 -81.5 123.0 35.3 -13.4 -31.7 35 35 A K + 0 0 84 -2,-0.5 2,-0.3 257,-0.2 -1,-0.1 0.558 49.4 77.8-108.1 -12.4 36.9 -10.1 -30.4 36 36 A T + 0 0 98 250,-0.1 250,-0.3 2,-0.0 2,-0.3 -0.744 44.9 173.9-108.7 150.1 34.0 -8.3 -28.8 37 37 A H - 0 0 69 -2,-0.3 248,-0.2 248,-0.1 246,-0.0 -0.883 39.9-116.1-137.2 168.8 32.1 -8.7 -25.5 38 38 A N - 0 0 73 246,-1.8 245,-0.1 -2,-0.3 247,-0.1 0.480 42.3-124.9 -90.4 -5.0 29.4 -6.6 -23.9 39 39 A G S S+ 0 0 31 245,-0.3 2,-0.3 1,-0.2 244,-0.2 0.635 72.1 105.5 79.0 16.5 31.5 -5.5 -20.9 40 40 A K S S- 0 0 107 244,-0.1 2,-0.5 229,-0.1 244,-0.3 -0.873 71.5-120.5-131.5 154.6 29.0 -6.7 -18.3 41 41 A L E +k 271 0G 0 229,-0.9 231,-2.9 -2,-0.3 232,-0.3 -0.857 47.3 177.6 -91.6 131.3 28.3 -9.5 -15.8 42 42 A b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 2,-0.1 -0.833 35.9 -81.2-135.0 165.9 25.1 -11.2 -16.7 43 43 A D E -k 275 0G 27 231,-2.9 233,-2.5 -2,-0.3 2,-0.7 -0.418 42.5-132.5 -62.3 141.3 22.7 -14.0 -15.9 44 44 A L E > S-kL 276 47G 24 3,-2.0 3,-1.9 1,-0.2 233,-0.2 -0.915 84.5 -22.5 -99.9 109.9 23.9 -17.3 -17.3 45 45 A D T 3 S- 0 0 100 231,-2.6 -1,-0.2 -2,-0.7 232,-0.1 0.922 127.5 -52.3 50.8 48.9 21.0 -18.9 -19.1 46 46 A G T 3 S+ 0 0 50 230,-0.2 2,-0.7 -3,-0.2 -1,-0.3 0.186 115.5 115.2 79.5 -15.2 18.5 -16.9 -17.0 47 47 A V B < -L 44 0G 54 -3,-1.9 -3,-2.0 -5,-0.1 30,-0.2 -0.803 63.9-132.7 -95.6 112.0 20.1 -17.9 -13.7 48 48 A K - 0 0 95 -2,-0.7 29,-1.1 -5,-0.2 2,-0.2 -0.169 15.5-121.0 -63.4 147.2 21.7 -14.9 -11.9 49 49 A P - 0 0 3 0, 0.0 2,-0.9 0, 0.0 30,-0.2 -0.536 25.9-108.0 -81.0 158.5 25.2 -15.0 -10.4 50 50 A L E -m 79 0H 14 28,-2.5 30,-3.0 -2,-0.2 2,-0.9 -0.805 34.2-164.2 -81.8 106.1 26.0 -14.4 -6.7 51 51 A I E -m 80 0H 16 -2,-0.9 3,-0.1 28,-0.2 30,-0.1 -0.836 6.7-168.3 -97.0 102.4 27.7 -11.0 -6.8 52 52 A L > - 0 0 0 28,-1.9 3,-2.9 -2,-0.9 2,-0.3 0.528 15.9-170.2 -70.1 -7.5 29.4 -10.7 -3.4 53 53 A R T 3 S- 0 0 105 27,-0.3 29,-0.5 1,-0.3 -1,-0.2 -0.321 71.9 -7.0 59.7-111.2 30.0 -7.0 -4.0 54 54 A D T 3 S+ 0 0 72 -2,-0.3 33,-2.6 -3,-0.1 -1,-0.3 0.327 119.5 92.9 -97.9 7.4 32.3 -5.8 -1.2 55 55 A c B < -o 87 0I 4 -3,-2.9 27,-0.4 31,-0.2 33,-0.2 -0.697 64.3-140.3 -99.1 153.8 32.2 -9.2 0.7 56 56 A S > - 0 0 3 31,-1.6 4,-3.0 -2,-0.3 5,-0.2 -0.554 34.3-101.5 -97.6 171.4 34.5 -12.2 0.5 57 57 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.881 126.8 50.2 -60.8 -35.2 33.4 -15.8 0.6 58 58 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.964 110.2 47.9 -67.0 -52.7 34.6 -15.8 4.2 59 59 A G H >>S+ 0 0 0 28,-0.2 5,-2.8 1,-0.2 4,-1.3 0.936 116.0 46.6 -49.8 -51.4 32.5 -12.7 5.1 60 60 A W H <5S+ 0 0 4 -4,-3.0 3,-0.4 3,-0.2 -2,-0.2 0.972 117.5 39.8 -55.2 -58.6 29.5 -14.2 3.4 61 61 A L H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.858 118.7 44.2 -70.0 -41.4 29.8 -17.7 4.9 62 62 A L H <5S- 0 0 0 -4,-3.1 84,-1.8 -5,-0.2 85,-0.5 0.667 114.8-117.5 -71.9 -19.1 30.7 -16.7 8.5 63 63 A G T <5 - 0 0 8 -4,-1.3 82,-3.2 -5,-0.4 -3,-0.2 0.930 29.1-159.0 79.8 48.5 28.1 -13.9 8.3 64 64 A N > < - 0 0 1 -5,-2.8 3,-2.9 80,-0.3 -1,-0.2 -0.451 25.4-124.0 -51.9 126.3 30.1 -10.8 8.6 65 65 A P G > S+ 0 0 3 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.619 110.7 61.0 -62.7 -14.1 27.4 -8.3 9.8 66 66 A M G 3 S+ 0 0 103 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.364 97.4 63.9 -81.9 1.0 28.2 -6.0 6.8 67 67 A c G X + 0 0 5 -3,-2.9 3,-1.2 -8,-0.2 -1,-0.2 -0.154 57.4 125.6-120.4 35.5 27.2 -8.9 4.5 68 68 A D G X + 0 0 42 -3,-0.5 3,-2.2 1,-0.3 4,-0.2 0.774 60.9 75.5 -66.7 -27.8 23.6 -9.1 5.5 69 69 A E G 3 S+ 0 0 122 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.856 100.6 44.2 -46.6 -37.0 22.6 -8.8 1.8 70 70 A F G X S+ 0 0 11 -3,-1.2 3,-0.5 1,-0.2 -1,-0.3 0.022 75.1 118.1-102.3 27.3 23.8 -12.4 1.5 71 71 A I T < S+ 0 0 80 -3,-2.2 -1,-0.2 1,-0.3 2,-0.2 0.809 94.6 10.3 -68.0 -30.9 22.1 -13.7 4.6 72 72 A N T 3 S- 0 0 117 -3,-0.4 -1,-0.3 -4,-0.2 40,-0.0 -0.674 82.3-171.6-147.0 95.9 20.0 -16.1 2.5 73 73 A V < - 0 0 16 -3,-0.5 38,-0.4 -2,-0.2 3,-0.1 -0.664 15.5-133.8 -91.5 136.7 21.1 -16.3 -1.1 74 74 A P - 0 0 98 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.190 51.2 -54.9 -75.1 175.7 19.1 -18.1 -3.8 75 75 A E - 0 0 76 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.185 62.1-157.6 -47.8 136.4 20.5 -20.6 -6.3 76 76 A W - 0 0 2 33,-2.9 3,-0.1 -3,-0.1 -28,-0.1 -0.796 24.1-150.6-119.7 164.3 23.4 -19.1 -8.3 77 77 A S S S- 0 0 10 -29,-1.1 2,-0.3 1,-0.5 -1,-0.1 0.773 83.8 -16.3 -99.8 -42.4 25.0 -19.8 -11.7 78 78 A Y S S- 0 0 0 184,-0.2 -28,-2.5 -30,-0.2 -1,-0.5 -0.931 70.2-115.7-150.8 173.3 28.5 -18.6 -10.8 79 79 A I E -mn 50 264H 0 184,-3.2 186,-3.4 -2,-0.3 2,-0.5 -0.908 16.3-153.7-117.6 143.3 30.0 -16.4 -8.1 80 80 A V E +mn 51 265H 4 -30,-3.0 -28,-1.9 -2,-0.4 2,-0.4 -0.964 17.0 172.3-121.7 123.0 31.7 -13.0 -8.4 81 81 A E E - n 0 266H 3 184,-2.5 186,-1.5 -2,-0.5 -25,-0.1 -0.973 29.1-122.2-126.8 135.7 34.3 -11.8 -5.9 82 82 A K - 0 0 28 -29,-0.5 186,-0.1 -2,-0.4 -28,-0.0 -0.221 30.0-108.7 -67.6 165.6 36.5 -8.7 -6.1 83 83 A A S S+ 0 0 53 1,-0.3 -1,-0.1 183,-0.1 185,-0.0 0.911 112.0 13.1 -63.1 -44.5 40.3 -9.0 -6.0 84 84 A N S S- 0 0 146 -28,-0.0 -1,-0.3 4,-0.0 -28,-0.1 -0.617 80.6-162.6-133.8 77.9 40.5 -7.5 -2.5 85 85 A P - 0 0 24 0, 0.0 3,-0.2 0, 0.0 -30,-0.1 -0.341 12.5-146.1 -60.8 138.0 37.0 -7.4 -0.9 86 86 A V S S+ 0 0 112 1,-0.2 2,-1.3 -32,-0.2 -31,-0.2 0.802 87.7 65.3 -75.0 -31.8 36.9 -5.0 2.1 87 87 A N B S+o 55 0I 36 -33,-2.6 -31,-1.6 -21,-0.1 -28,-0.2 -0.645 70.7 117.9 -96.8 78.8 34.4 -7.0 4.2 88 88 A D S S- 0 0 62 -2,-1.3 2,-1.1 -33,-0.2 3,-0.1 0.343 81.3 -7.7-104.8-123.9 36.4 -10.1 4.9 89 89 A L - 0 0 25 1,-0.2 -1,-0.2 4,-0.1 4,-0.1 -0.694 63.4-172.0 -79.3 100.0 37.3 -11.2 8.4 90 90 A d S S+ 0 0 15 -2,-1.1 -1,-0.2 2,-0.1 -2,-0.0 0.897 81.5 50.8 -64.3 -44.7 36.1 -8.2 10.4 91 91 A Y S S- 0 0 9 -3,-0.1 135,-0.1 44,-0.1 129,-0.1 -0.870 111.4-111.3 -84.2 124.5 37.7 -9.6 13.5 92 92 A P + 0 0 7 0, 0.0 134,-1.8 0, 0.0 2,-0.3 -0.095 67.4 86.1 -64.3 158.4 41.2 -10.4 12.4 93 93 A G E -p 226 0J 23 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.979 67.0 -64.5 161.3-144.9 42.5 -14.0 12.0 94 94 A D E -p 227 0J 104 132,-1.8 134,-2.2 -2,-0.3 2,-0.5 -0.928 22.0-138.0-136.7 164.4 42.6 -16.8 9.6 95 95 A F E > -p 228 0J 18 -2,-0.3 3,-1.0 132,-0.2 134,-0.2 -0.984 33.3-128.2-123.6 112.1 40.2 -19.2 7.9 96 96 A N T 3 S- 0 0 58 132,-3.2 134,-0.1 -2,-0.5 5,-0.1 -0.403 84.5 -2.2 -69.8 137.8 41.7 -22.7 7.9 97 97 A D T 3> S+ 0 0 94 -2,-0.1 4,-1.5 3,-0.1 -1,-0.3 0.872 83.8 159.0 49.5 44.5 41.8 -24.6 4.5 98 98 A Y H <> + 0 0 27 -3,-1.0 4,-2.6 1,-0.2 3,-0.2 0.920 67.0 47.4 -64.0 -45.7 40.1 -21.6 2.9 99 99 A E H > S+ 0 0 44 1,-0.3 4,-2.4 2,-0.2 292,-0.2 0.896 108.7 54.4 -67.7 -40.6 41.2 -22.3 -0.6 100 100 A E H > S+ 0 0 124 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.831 110.5 48.5 -60.8 -31.6 40.2 -25.9 -0.4 101 101 A L H X S+ 0 0 4 -4,-1.5 4,-1.6 -3,-0.2 3,-0.3 0.928 108.0 52.3 -74.0 -45.4 36.7 -24.7 0.7 102 102 A K H X S+ 0 0 14 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.876 107.4 54.0 -55.5 -37.5 36.5 -22.2 -2.2 103 103 A H H >< S+ 0 0 65 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.865 104.3 54.9 -63.5 -36.6 37.3 -25.1 -4.5 104 104 A L H >< S+ 0 0 45 -4,-1.1 3,-1.3 -3,-0.3 -1,-0.2 0.841 102.1 58.4 -62.3 -36.8 34.4 -27.0 -3.0 105 105 A L H >< S+ 0 0 1 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.666 88.7 72.3 -66.1 -24.3 32.1 -24.1 -3.8 106 106 A S T << S+ 0 0 27 -4,-0.7 156,-1.5 -3,-0.7 -1,-0.3 0.607 101.2 46.1 -68.8 -13.2 33.0 -24.4 -7.5 107 107 A R T < S+ 0 0 140 -3,-1.3 153,-1.4 -4,-0.2 2,-0.4 0.116 102.5 84.3-111.1 17.0 30.9 -27.5 -7.5 108 108 A I E < +Q 259 0J 7 -3,-1.7 151,-0.2 151,-0.3 155,-0.1 -0.983 39.8 170.8-127.3 129.9 28.0 -25.9 -5.5 109 109 A N E S+ 0 0 12 149,-2.2 -33,-2.9 -2,-0.4 2,-0.3 0.559 70.3 31.5-106.8 -16.1 25.1 -23.8 -6.9 110 110 A H E -Q 258 0J 46 148,-1.3 148,-1.1 -35,-0.2 147,-1.0 -0.954 51.6-172.3-154.6 130.7 22.9 -23.5 -3.8 111 111 A F E -Q 256 0J 9 -38,-0.4 2,-0.4 -2,-0.3 145,-0.2 -0.890 9.8-159.0-111.6 148.1 23.2 -23.4 -0.0 112 112 A E E -Q 255 0J 85 143,-2.1 143,-3.0 -2,-0.4 2,-0.2 -0.964 19.9-137.1-128.2 110.3 20.2 -23.5 2.4 113 113 A K E +Q 254 0J 26 -2,-0.4 2,-0.3 141,-0.2 141,-0.2 -0.470 27.1 177.2 -70.7 132.0 21.0 -22.1 5.8 114 114 A I E -Q 253 0J 32 139,-2.9 139,-2.8 -2,-0.2 2,-0.4 -0.998 30.7-117.8-137.2 149.6 19.8 -23.9 8.9 115 115 A Q E +Q 252 0J 94 -2,-0.3 137,-0.3 137,-0.2 136,-0.0 -0.666 33.8 165.2 -82.1 126.0 20.1 -23.5 12.6 116 116 A I S S+ 0 0 16 135,-3.0 136,-0.2 -2,-0.4 -1,-0.2 0.745 74.3 27.1-111.4 -37.4 21.8 -26.4 14.3 117 117 A I S S- 0 0 4 134,-1.4 -1,-0.2 47,-0.1 5,-0.1 -0.838 86.2-137.0-127.5 97.0 22.7 -25.0 17.8 118 118 A P - 0 0 39 0, 0.0 3,-0.4 0, 0.0 4,-0.1 -0.107 9.2-132.6 -54.1 143.9 20.2 -22.3 18.9 119 119 A K S > S+ 0 0 95 1,-0.2 3,-1.4 2,-0.2 8,-0.0 0.911 106.0 56.8 -64.3 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