==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 25-APR-13 4KDQ . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.LU,Y.SHI,W.ZHANG,Y.ZHANG,J.QI,G.F.GAO . 1455 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 919 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 291 20.0 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 . 141 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 3 6 0 0 0 0 0 0 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 15 15 6 0 9 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 1 A S 0 0 102 0, 0.0 1108,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 139.3 15.9 33.3 63.6 2 2 A D + 0 0 5 1106,-0.4 1104,-2.9 1104,-0.1 2,-0.3 -0.321 360.0 163.5 -69.0 140.2 17.2 31.5 60.5 3 3 A Q E -AB 9931105A 49 990,-2.4 990,-2.8 1102,-0.2 2,-0.4 -0.994 26.1-150.9-154.6 157.9 14.9 30.4 57.8 4 4 A I E -AB 9921104A 0 1100,-2.1 1100,-2.7 -2,-0.3 2,-0.4 -0.990 14.0-157.0-132.6 141.7 14.6 29.2 54.2 5 5 A a E -AB 9911103A 8 986,-2.6 986,-2.7 -2,-0.4 2,-0.5 -0.920 7.7-146.2-121.5 145.2 11.7 29.6 51.7 6 6 A I E +A 990 0A 2 1096,-2.8 2,-0.3 -2,-0.4 984,-0.2 -0.929 35.9 145.6-108.8 130.2 10.6 27.8 48.6 7 7 A G E -A 989 0A 0 982,-2.6 982,-2.8 -2,-0.5 2,-0.2 -0.875 35.4-112.9-151.0-177.8 9.1 29.8 45.7 8 8 A Y E -A 988 0A 9 970,-0.4 972,-3.0 -2,-0.3 980,-0.2 -0.765 35.7 -85.7-124.9 169.0 8.6 30.2 42.0 9 9 A H B +e 980 0B 16 978,-3.0 2,-0.3 -2,-0.2 972,-0.2 -0.174 39.6 176.5 -68.3 159.2 9.6 32.6 39.2 10 10 A A + 0 0 9 970,-0.9 2,-0.2 973,-0.6 310,-0.1 -0.954 3.5 162.6-158.1 152.7 7.6 35.7 38.3 11 11 A N - 0 0 33 -2,-0.3 310,-0.1 2,-0.1 970,-0.1 -0.784 51.3 -81.3-151.2-161.9 8.1 38.6 35.8 12 12 A N S S+ 0 0 139 -2,-0.2 2,-0.2 969,-0.1 16,-0.1 0.123 71.2 138.6-100.6 19.0 6.4 41.5 33.9 13 13 A S - 0 0 20 1,-0.1 -2,-0.1 2,-0.0 16,-0.1 -0.437 32.5-175.5 -71.1 134.9 4.9 39.3 31.2 14 14 A T + 0 0 118 -2,-0.2 2,-0.2 12,-0.1 -1,-0.1 0.280 41.3 129.6-109.0 6.6 1.4 40.1 30.0 15 15 A E - 0 0 103 12,-0.3 12,-2.7 13,-0.2 2,-0.3 -0.438 41.2-159.7 -69.9 130.7 1.2 37.2 27.6 16 16 A Q E -F 26 0C 67 10,-0.3 2,-0.3 -2,-0.2 10,-0.2 -0.724 12.1-172.2-110.4 157.2 -1.9 35.0 28.0 17 17 A V E -F 25 0C 0 8,-1.5 8,-2.9 -2,-0.3 2,-0.3 -0.901 20.3-123.6-135.1 169.0 -2.9 31.4 27.1 18 18 A D - 0 0 47 295,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.821 21.4-174.4-114.7 155.3 -6.1 29.5 27.2 19 19 A T - 0 0 5 3,-2.0 1049,-0.2 -2,-0.3 1048,-0.1 -0.808 42.7-102.4-133.1 175.9 -7.0 26.3 28.9 20 20 A I S S+ 0 0 8 1047,-0.7 1330,-0.3 -2,-0.3 3,-0.1 0.873 123.6 34.6 -70.0 -33.0 -10.0 24.1 28.9 21 21 A M S S+ 0 0 33 1,-0.2 2,-0.3 1046,-0.2 1325,-0.2 0.511 125.1 32.5 -99.6 -6.8 -11.0 25.4 32.4 22 22 A E - 0 0 84 1324,-0.1 -3,-2.0 1325,-0.0 3,-0.3 -0.922 61.6-155.2-157.7 127.1 -9.7 29.0 32.1 23 23 A K S S+ 0 0 65 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.524 75.6 20.7 -92.5 164.8 -9.4 31.7 29.3 24 24 A N S S+ 0 0 108 1,-0.2 2,-0.7 -2,-0.2 -1,-0.2 0.878 75.4 175.1 45.5 53.8 -7.0 34.6 29.2 25 25 A V E -F 17 0C 3 -8,-2.9 -8,-1.5 -3,-0.3 2,-0.2 -0.810 25.3-137.6 -96.2 110.3 -4.5 33.2 31.7 26 26 A T E +F 16 0C 49 -2,-0.7 294,-2.7 -10,-0.2 2,-0.3 -0.456 29.5 178.4 -68.5 129.6 -1.4 35.3 32.1 27 27 A V B -G 319 0D 0 -12,-2.7 -12,-0.3 292,-0.3 292,-0.2 -0.812 38.5-117.7-127.6 169.6 1.8 33.3 32.3 28 28 A T S S+ 0 0 3 290,-2.6 2,-0.3 -2,-0.3 -13,-0.2 0.940 95.9 13.4 -72.5 -48.7 5.5 34.0 32.6 29 29 A H + 0 0 73 289,-0.2 288,-2.0 -16,-0.1 287,-2.0 -0.968 66.4 168.4-133.1 146.0 6.5 32.5 29.2 30 30 A A E -H 315 0E 20 -2,-0.3 2,-0.4 285,-0.2 285,-0.2 -0.939 23.2-135.9-147.9 166.5 4.7 31.4 26.1 31 31 A Q E -H 314 0E 83 283,-2.6 283,-2.6 -2,-0.3 2,-0.2 -0.952 11.3-145.2-134.9 115.0 5.3 30.3 22.5 32 32 A D E +H 313 0E 60 -2,-0.4 281,-0.2 281,-0.2 3,-0.1 -0.558 20.7 173.3 -69.6 138.0 3.4 31.5 19.5 33 33 A I + 0 0 2 279,-2.1 259,-1.1 -2,-0.2 2,-0.5 0.161 49.5 90.9-133.1 15.3 3.1 28.7 17.0 34 34 A L E -i 292 0F 1 278,-0.5 2,-0.3 257,-0.1 259,-0.3 -0.939 63.9-147.0-121.4 109.5 0.7 30.2 14.4 35 35 A E E +i 293 0F 30 257,-4.0 259,-1.4 -2,-0.5 260,-0.2 -0.572 23.7 168.4 -71.9 131.6 2.1 32.3 11.5 36 36 A K + 0 0 89 -2,-0.3 2,-0.4 257,-0.2 -1,-0.1 0.253 47.0 89.5-126.8 11.7 -0.3 35.1 10.6 37 37 A T + 0 0 100 250,-0.1 250,-0.4 2,-0.0 2,-0.3 -0.922 42.0 171.0-126.0 131.3 1.9 37.1 8.3 38 38 A H - 0 0 73 -2,-0.4 248,-0.2 248,-0.1 246,-0.0 -0.969 37.8-125.2-135.5 154.7 2.5 37.1 4.5 39 39 A N - 0 0 71 246,-2.0 245,-0.1 -2,-0.3 247,-0.1 0.492 39.1-129.1 -78.6 -3.1 4.4 39.4 2.2 40 40 A G S S+ 0 0 33 245,-0.3 2,-0.3 1,-0.2 244,-0.2 0.715 70.3 110.1 64.6 23.5 1.4 39.8 -0.1 41 41 A K S S- 0 0 100 244,-0.1 2,-0.6 229,-0.1 244,-0.4 -0.878 70.5-123.7-129.3 158.2 3.5 39.0 -3.2 42 42 A L E +k 272 0G 0 229,-0.7 231,-2.5 -2,-0.3 233,-0.4 -0.918 45.1 179.1-100.6 119.0 3.9 36.2 -5.8 43 43 A b E - 0 0 0 -2,-0.6 233,-0.3 229,-0.2 231,-0.1 -0.609 34.9 -84.3-117.0 170.1 7.5 35.0 -5.7 44 44 A D E -k 276 0G 27 231,-2.7 233,-2.4 -2,-0.2 2,-0.7 -0.406 42.3-127.6 -61.6 150.7 9.9 32.6 -7.2 45 45 A L E > S-kL 277 48G 24 3,-2.5 3,-1.1 1,-0.2 233,-0.2 -0.900 85.7 -24.3-108.8 103.0 9.7 29.2 -5.5 46 46 A D T 3 S- 0 0 109 231,-2.7 -1,-0.2 -2,-0.7 232,-0.1 0.907 128.5 -48.9 56.3 46.2 13.3 28.3 -4.5 47 47 A G T 3 S+ 0 0 47 230,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.163 114.4 113.1 86.6 -20.5 14.7 30.6 -7.2 48 48 A V B < -L 45 0G 45 -3,-1.1 -3,-2.5 29,-0.0 -1,-0.2 -0.786 66.0-126.8 -93.9 125.7 12.5 29.3 -10.1 49 49 A K - 0 0 104 -2,-0.5 29,-0.9 -5,-0.2 -5,-0.1 -0.326 18.3-122.4 -72.2 140.3 10.0 31.8 -11.4 50 50 A P - 0 0 4 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.417 27.0-109.0 -72.1 159.8 6.3 31.0 -11.7 51 51 A L E -m 80 0H 11 28,-2.7 30,-2.7 -2,-0.1 2,-1.1 -0.848 34.2-161.5 -86.6 107.6 4.6 31.3 -15.1 52 52 A I E -m 81 0H 16 -2,-0.8 2,-0.2 28,-0.2 30,-0.1 -0.787 3.4-162.9 -97.2 93.0 2.3 34.3 -14.7 53 53 A L - 0 0 2 28,-1.6 30,-0.1 -2,-1.1 5,-0.1 -0.544 12.5-164.4 -58.1 136.9 -0.3 34.2 -17.4 54 54 A R - 0 0 108 -2,-0.2 29,-0.5 3,-0.1 -1,-0.2 0.751 69.6 -18.5 -94.6 -93.9 -1.6 37.7 -17.4 55 55 A D S S+ 0 0 69 12,-0.1 33,-4.0 31,-0.1 2,-0.3 0.113 118.2 101.8 -99.7 18.8 -4.9 38.3 -19.1 56 56 A c B -o 88 0I 4 31,-0.2 27,-0.3 30,-0.1 33,-0.2 -0.810 62.2-143.7-103.3 144.1 -4.4 34.9 -20.8 57 57 A S > - 0 0 3 31,-1.9 4,-2.3 -2,-0.3 5,-0.1 -0.403 34.5-102.2 -88.8 174.3 -6.1 31.6 -19.9 58 58 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.911 126.1 51.1 -60.8 -40.1 -4.4 28.2 -20.2 59 59 A A H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.936 109.7 48.3 -63.9 -45.2 -6.4 27.7 -23.4 60 60 A G H >>S+ 0 0 0 28,-0.2 5,-3.0 1,-0.2 4,-1.2 0.907 114.5 47.3 -63.4 -42.1 -5.3 31.0 -24.9 61 61 A W H <5S+ 0 0 6 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.975 117.6 38.7 -61.3 -56.0 -1.7 30.2 -24.0 62 62 A L H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.880 119.4 44.9 -69.6 -40.7 -1.6 26.7 -25.4 63 63 A L H <5S- 0 0 0 -4,-2.7 84,-2.1 -5,-0.3 85,-0.5 0.786 115.1-117.4 -71.8 -26.2 -3.7 27.3 -28.5 64 64 A G T <5 - 0 0 1 -4,-1.2 82,-3.5 -5,-0.4 -3,-0.2 0.914 29.7-160.7 87.3 50.5 -1.7 30.4 -29.1 65 65 A N > < - 0 0 5 -5,-3.0 3,-2.7 80,-0.3 -1,-0.1 -0.458 26.3-124.1 -56.1 131.0 -4.2 33.2 -28.9 66 66 A P G > S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.771 110.4 60.2 -57.2 -26.8 -2.5 36.1 -30.7 67 67 A M G 3 S+ 0 0 96 1,-0.2 3,-0.2 2,-0.1 -12,-0.1 0.552 99.3 58.6 -74.9 -6.4 -2.9 38.3 -27.7 68 68 A c G X + 0 0 3 -3,-2.7 3,-2.7 -8,-0.2 -1,-0.2 0.056 61.3 128.2-112.5 21.7 -0.9 35.8 -25.6 69 69 A D G X + 0 0 42 -3,-1.0 3,-1.9 1,-0.3 4,-0.2 0.726 58.9 77.7 -53.5 -24.2 2.3 36.0 -27.8 70 70 A E G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -3,-0.2 3,-0.3 0.754 97.2 45.9 -55.1 -24.7 4.3 36.7 -24.6 71 71 A F G X S+ 0 0 10 -3,-2.7 3,-0.7 1,-0.2 -1,-0.3 0.106 73.2 118.4-110.6 20.8 4.0 33.0 -23.8 72 72 A L T < S+ 0 0 52 -3,-1.9 2,-0.2 1,-0.3 -1,-0.2 0.880 93.9 13.2 -56.1 -42.5 4.9 31.6 -27.2 73 73 A N T 3 S- 0 0 116 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.0 -0.629 87.1-167.3-138.7 80.0 8.0 29.8 -25.8 74 74 A V < - 0 0 19 -3,-0.7 38,-0.3 -2,-0.2 40,-0.1 -0.395 12.3-132.3 -80.3 138.3 7.8 29.8 -22.1 75 75 A P - 0 0 93 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.180 48.6 -58.7 -76.8 174.9 10.8 28.8 -19.8 76 76 A E - 0 0 83 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.240 59.5-159.6 -57.7 138.6 10.7 26.4 -16.9 77 77 A W - 0 0 2 33,-2.6 3,-0.1 1,-0.1 -28,-0.1 -0.847 26.9-154.1-120.7 161.7 8.2 27.3 -14.1 78 78 A S S S- 0 0 8 -29,-0.9 2,-0.3 1,-0.4 186,-0.2 0.814 84.5 -12.9 -95.9 -42.7 7.7 26.5 -10.5 79 79 A Y - 0 0 0 184,-0.2 -28,-2.7 -30,-0.1 -1,-0.4 -0.949 68.7-115.8-150.4 168.9 3.9 27.1 -10.5 80 80 A I E -mn 51 265H 0 184,-2.8 186,-3.3 -2,-0.3 2,-0.5 -0.931 18.0-158.8-115.3 135.0 1.3 28.7 -12.7 81 81 A V E +mn 52 266H 2 -30,-2.7 -28,-1.6 -2,-0.4 2,-0.4 -0.955 14.5 174.2-113.9 128.0 -0.8 31.8 -11.9 82 82 A E E - n 0 267H 3 184,-2.8 186,-1.6 -2,-0.5 -25,-0.1 -0.992 30.2-117.4-132.6 136.3 -4.1 32.4 -13.8 83 83 A K - 0 0 25 -29,-0.5 186,-0.1 -2,-0.4 -29,-0.0 -0.258 31.8-108.1 -68.2 162.6 -6.6 35.2 -13.1 84 84 A I S S+ 0 0 106 1,-0.3 -1,-0.1 183,-0.1 185,-0.0 0.851 111.8 10.8 -59.9 -36.4 -10.1 34.3 -12.0 85 85 A N S S- 0 0 137 -28,-0.0 -1,-0.3 -29,-0.0 -28,-0.1 -0.522 83.8-153.4-148.3 69.4 -11.5 35.3 -15.4 86 86 A P - 0 0 23 0, 0.0 -31,-0.1 0, 0.0 -30,-0.1 -0.122 8.8-144.9 -52.9 138.9 -8.8 35.9 -18.0 87 87 A V S S+ 0 0 112 1,-0.2 2,-1.0 2,-0.1 -31,-0.2 0.874 89.4 59.6 -74.6 -40.7 -9.8 38.3 -20.8 88 88 A N B S+o 56 0I 39 -33,-4.0 -31,-1.9 1,-0.1 -28,-0.2 -0.763 71.6 119.4 -93.7 91.7 -7.8 36.6 -23.5 89 89 A D S S- 0 0 64 -2,-1.0 2,-1.0 -33,-0.2 3,-0.2 0.419 78.9 -4.4-116.8-106.7 -9.2 33.1 -23.7 90 90 A L - 0 0 24 1,-0.2 4,-0.1 4,-0.1 -1,-0.1 -0.829 61.3-173.9 -97.1 101.0 -10.9 31.6 -26.8 91 91 A d S S+ 0 0 12 -2,-1.0 -1,-0.2 1,-0.1 45,-0.1 0.966 82.6 50.2 -62.9 -51.4 -10.8 34.6 -29.2 92 92 A Y S S- 0 0 4 -3,-0.2 135,-0.1 1,-0.1 -1,-0.1 -0.810 110.0-115.8 -80.5 119.4 -12.8 32.7 -31.7 93 93 A P + 0 0 7 0, 0.0 134,-2.4 0, 0.0 2,-0.3 -0.048 67.2 88.8 -58.9 156.3 -15.7 31.4 -29.5 94 94 A G E -p 227 0J 29 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.979 67.0 -71.7 154.8-145.4 -16.2 27.6 -28.9 95 95 A N E -p 228 0J 67 132,-1.6 134,-2.8 -2,-0.3 2,-0.6 -0.994 17.9-134.9-152.8 154.0 -15.0 25.1 -26.3 96 96 A F E > -p 229 0J 17 -2,-0.3 3,-0.9 132,-0.2 134,-0.2 -0.958 33.3-128.5-111.1 111.3 -12.0 23.1 -25.3 97 97 A N T 3 S+ 0 0 50 132,-2.5 134,-0.1 -2,-0.6 5,-0.1 -0.356 85.8 0.4 -64.4 136.3 -12.8 19.4 -24.6 98 98 A D T 3> S+ 0 0 70 -2,-0.1 4,-1.5 1,-0.1 -1,-0.2 0.901 81.5 158.8 51.0 46.0 -11.7 17.9 -21.3 99 99 A Y H <> + 0 0 35 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.895 68.7 49.9 -65.5 -42.9 -10.2 21.3 -20.3 100 100 A E H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 935,-0.3 0.889 109.6 51.9 -67.1 -36.7 -10.2 20.6 -16.6 101 101 A E H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.839 111.6 48.2 -67.2 -31.0 -8.5 17.2 -17.1 102 102 A L H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.915 109.5 50.2 -76.0 -45.1 -5.8 19.1 -19.2 103 103 A K H X S+ 0 0 9 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.867 109.5 53.8 -55.3 -36.6 -5.3 21.8 -16.6 104 104 A H H >< S+ 0 0 15 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.924 106.5 50.7 -65.3 -43.7 -5.0 19.0 -14.1 105 105 A L H >< S+ 0 0 39 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.875 103.6 60.7 -57.2 -40.0 -2.3 17.4 -16.2 106 106 A L H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.764 91.3 67.5 -58.4 -29.3 -0.6 20.8 -16.3 107 107 A S T << S+ 0 0 12 -3,-0.9 156,-1.4 -4,-0.9 -1,-0.3 0.525 100.6 49.2 -72.5 -4.9 -0.2 20.7 -12.5 108 108 A R T < S+ 0 0 99 -3,-1.8 153,-2.0 -4,-0.2 2,-0.4 0.262 99.3 85.1-113.2 8.9 2.3 17.9 -12.9 109 109 A I E < +Q 260 0J 2 -3,-1.5 151,-0.3 151,-0.3 155,-0.1 -0.898 42.4 175.2-118.4 137.4 4.4 19.6 -15.6 110 110 A N E + 0 0 16 149,-3.6 -33,-2.6 -2,-0.4 2,-0.3 0.583 69.7 20.4-112.1 -15.0 7.2 22.1 -15.1 111 111 A H E -Q 259 0J 50 148,-1.2 147,-2.0 -35,-0.2 148,-0.8 -0.923 50.9-172.9-162.4 128.4 8.4 22.7 -18.7 112 112 A F E -Q 257 0J 8 -38,-0.3 2,-0.5 -2,-0.3 145,-0.2 -0.869 11.8-155.7-106.5 150.8 7.3 22.3 -22.3 113 113 A E E -Q 256 0J 85 143,-1.6 143,-2.7 -2,-0.3 2,-0.4 -0.977 21.6-141.3-118.6 119.5 9.4 22.8 -25.3 114 114 A K E -Q 255 0J 33 -2,-0.5 2,-0.3 141,-0.2 141,-0.2 -0.616 23.4-176.3 -76.9 129.2 7.1 23.7 -28.2 115 115 A I E -Q 254 0J 32 139,-2.5 139,-2.6 -2,-0.4 2,-0.5 -0.939 31.1-112.2-123.9 151.3 8.1 22.2 -31.5 116 116 A Q E +Q 253 0J 112 -2,-0.3 137,-0.3 137,-0.2 31,-0.0 -0.730 35.6 172.4 -80.8 127.2 6.6 22.5 -35.0 117 117 A I S S+ 0 0 15 135,-2.7 136,-0.2 -2,-0.5 -1,-0.2 0.752 70.7 26.4-110.0 -36.1 5.0 19.2 -36.0 118 118 A I S S- 0 0 9 134,-1.5 -1,-0.3 132,-0.1 5,-0.1 -0.905 82.3-138.0-133.2 107.9 3.3 20.1 -39.2 119 119 A P > - 0 0 47 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.301 12.5-131.4 -66.6 144.9 4.8 23.0 -41.2 120 120 A K G > S+ 0 0 86 1,-0.3 3,-1.2 2,-0.2 8,-0.1 0.804 107.7 62.5 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