==== 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 HYDROLASE 10-JAN-13 3W4O . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR M.NUKAGA,N.OHUCHI,K.M.PAPP-WALLACE,M.A.TARACILA,R.A.BONOMO . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 0 0 1 1 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 . 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 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 24 A M > 0 0 134 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 119.7 5.1 -0.4 47.5 2 25 A K H > + 0 0 109 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.861 360.0 54.6 -74.8 -29.9 6.8 -2.7 45.0 3 26 A N H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 110.4 48.4 -64.5 -38.4 5.9 -0.4 42.0 4 27 A V H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.928 109.3 51.5 -66.7 -47.4 7.6 2.5 43.9 5 28 A A H X S+ 0 0 54 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.905 110.8 48.7 -58.9 -40.2 10.7 0.4 44.6 6 29 A A H X S+ 0 0 26 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.919 111.4 49.6 -65.5 -42.6 11.0 -0.6 41.0 7 30 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 108.7 52.3 -62.9 -42.0 10.6 3.0 39.8 8 31 A E H X S+ 0 0 49 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.917 109.4 49.6 -61.8 -41.7 13.2 4.3 42.3 9 32 A R H X S+ 0 0 114 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.920 110.3 50.8 -58.7 -45.1 15.7 1.7 40.9 10 33 A Q H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.878 107.7 53.2 -65.4 -33.0 14.9 2.8 37.4 11 34 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.904 107.5 51.1 -68.0 -38.7 15.5 6.4 38.3 12 35 A R H X S+ 0 0 129 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.913 110.8 49.2 -59.6 -43.9 18.9 5.5 39.7 13 36 A E H < S+ 0 0 106 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.906 109.3 52.1 -63.3 -39.6 19.7 3.7 36.5 14 37 A L H >< S+ 0 0 24 -4,-2.2 3,-1.9 1,-0.2 4,-0.2 0.943 107.7 51.6 -60.5 -45.8 18.6 6.8 34.5 15 38 A E H >< S+ 0 0 23 -4,-2.4 3,-1.8 1,-0.3 5,-0.4 0.880 99.7 64.8 -61.3 -33.8 20.9 9.0 36.6 16 39 A S T 3< S+ 0 0 97 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.601 90.1 68.7 -66.2 -11.8 23.8 6.7 35.8 17 40 A T T < S+ 0 0 95 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.3 0.536 103.6 39.6 -84.9 -5.7 23.5 7.6 32.1 18 41 A F S < S- 0 0 24 -3,-1.8 2,-1.6 -4,-0.2 -1,-0.0 -0.962 83.4-111.4-141.9 162.0 24.7 11.2 32.6 19 42 A D S S+ 0 0 106 -2,-0.3 224,-2.3 2,-0.1 225,-0.5 -0.604 88.6 57.7 -94.0 77.3 27.3 13.1 34.6 20 43 A G E S-A 242 0A 4 -2,-1.6 2,-0.4 -5,-0.4 222,-0.2 -0.922 84.3 -74.8-174.3-166.2 25.0 15.0 36.9 21 44 A R E -A 241 0A 58 220,-2.7 220,-1.8 -2,-0.3 2,-0.4 -0.954 24.7-155.9-122.8 140.3 22.2 14.7 39.5 22 45 A L E -A 240 0A 0 -2,-0.4 2,-0.5 218,-0.2 218,-0.2 -0.960 6.6-170.9-112.3 128.5 18.5 13.9 39.2 23 46 A G E +A 239 0A 0 216,-3.1 216,-2.9 -2,-0.4 2,-0.4 -0.986 19.5 168.4-118.7 122.9 16.1 15.0 41.8 24 47 A F E +AB 238 37A 0 13,-2.6 13,-2.3 -2,-0.5 2,-0.3 -0.991 20.4 170.8-144.4 137.1 12.6 13.5 41.5 25 48 A V E +AB 237 36A 0 212,-2.0 212,-2.8 -2,-0.4 2,-0.4 -0.981 3.2 179.4-137.9 135.1 9.4 13.1 43.4 26 49 A A E -AB 236 35A 0 9,-2.2 9,-2.7 -2,-0.3 2,-0.4 -1.000 11.6-172.6-126.7 132.2 6.1 11.8 42.0 27 50 A L E -AB 235 34A 24 208,-2.1 208,-2.5 -2,-0.4 2,-0.8 -0.977 21.3-146.8-132.5 116.2 3.2 11.7 44.5 28 51 A D E > -A 234 0A 10 5,-2.7 4,-2.4 -2,-0.4 5,-0.4 -0.761 18.7-153.0 -78.2 109.7 -0.2 10.1 43.9 29 52 A T T 4 S+ 0 0 27 204,-2.3 -1,-0.2 -2,-0.8 205,-0.1 0.695 85.3 54.1 -68.3 -18.0 -2.4 12.4 45.9 30 53 A A T 4 S+ 0 0 73 203,-0.3 -1,-0.2 1,-0.1 204,-0.1 0.937 124.7 19.4 -76.1 -47.0 -5.1 9.9 46.7 31 54 A T T 4 S- 0 0 94 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.580 96.1-123.7 -96.8 -15.6 -3.0 7.2 48.2 32 55 A G < + 0 0 41 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.0 0.513 49.2 165.3 76.1 6.7 0.1 9.1 49.1 33 56 A A - 0 0 6 -5,-0.4 -5,-2.7 -6,-0.1 2,-0.4 -0.350 18.7-165.6 -54.9 130.7 2.2 6.7 47.0 34 57 A R E -B 27 0A 108 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.962 21.9-167.7-140.3 116.7 5.5 8.4 46.6 35 58 A I E +B 26 0A 0 -9,-2.7 -9,-2.2 -2,-0.4 2,-0.4 -0.891 23.1 175.6 -99.3 123.0 8.4 7.8 44.3 36 59 A A E +B 25 0A 19 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.985 21.8 179.4-138.2 144.9 11.6 9.8 45.3 37 60 A H E S-B 24 0A 16 -13,-2.3 -13,-2.6 -2,-0.4 -2,-0.0 -0.961 85.4 -12.2-141.9 122.5 15.2 10.1 44.2 38 61 A R S > S+ 0 0 89 -2,-0.3 3,-1.6 -15,-0.2 123,-0.2 0.840 84.4 163.5 51.5 41.2 17.5 12.5 46.0 39 62 A G T 3 + 0 0 10 1,-0.3 122,-2.7 121,-0.1 123,-0.4 0.761 67.2 41.8 -63.2 -28.9 14.4 13.9 47.6 40 63 A D T 3 S+ 0 0 139 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.259 92.9 102.6-106.2 14.4 16.1 15.7 50.4 41 64 A E S < S- 0 0 65 -3,-1.6 2,-0.2 1,-0.0 120,-0.1 -0.745 74.4-112.5 -94.0 146.5 19.1 17.1 48.4 42 65 A R + 0 0 65 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.539 35.1 179.2 -81.1 142.8 19.2 20.8 47.3 43 66 A F E -E 158 0B 0 115,-2.5 115,-1.8 -2,-0.2 2,-0.4 -0.982 38.5-100.8-136.1 146.7 18.9 21.6 43.6 44 67 A P E -E 157 0B 13 0, 0.0 113,-0.2 0, 0.0 196,-0.2 -0.574 31.9-159.2 -69.9 122.9 18.9 25.0 41.7 45 68 A F > + 0 0 0 111,-1.7 3,-1.9 -2,-0.4 4,-0.1 0.708 18.1 178.5 -83.3 -16.5 15.3 25.6 41.0 46 69 A C G > - 0 0 0 110,-0.5 3,-2.0 100,-0.5 -1,-0.2 -0.180 69.1 -8.6 46.6-140.9 15.7 28.2 38.1 47 70 A S G > S+ 0 0 7 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.556 116.9 85.1 -67.8 -6.1 12.4 29.4 36.6 48 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.3 4,-0.5 0.784 77.3 71.5 -64.1 -22.3 10.4 26.8 38.6 49 72 A S H <> S+ 0 0 6 -3,-2.0 4,-2.2 1,-0.3 -1,-0.3 0.696 76.9 79.0 -59.9 -21.2 10.5 29.5 41.3 50 73 A K H <> S+ 0 0 1 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.791 86.1 59.8 -61.0 -27.0 8.1 31.5 39.2 51 74 A M H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.947 106.8 44.5 -64.3 -47.1 5.3 29.2 40.5 52 75 A M H X S+ 0 0 0 -4,-0.5 4,-2.3 -3,-0.3 -2,-0.2 0.890 112.6 53.6 -62.5 -42.0 6.0 30.3 44.1 53 76 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.935 111.0 44.2 -54.9 -50.5 6.2 33.9 43.0 54 77 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.868 110.2 55.0 -72.4 -31.1 2.8 33.9 41.3 55 78 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.929 107.9 50.9 -60.3 -43.2 1.3 32.0 44.2 56 79 A A H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.897 110.2 49.3 -61.2 -41.2 2.5 34.8 46.4 57 80 A V H X S+ 0 0 11 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.933 112.0 47.9 -62.8 -47.9 1.0 37.4 44.1 58 81 A L H >X S+ 0 0 2 -4,-2.6 4,-0.7 1,-0.2 3,-0.6 0.933 111.7 50.2 -59.3 -43.1 -2.3 35.6 44.1 59 82 A A H >< S+ 0 0 39 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.926 108.3 52.8 -61.1 -43.2 -2.2 35.3 47.9 60 83 A R H 3< S+ 0 0 173 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.747 111.3 48.2 -62.2 -26.7 -1.5 39.0 48.1 61 84 A S H X< S+ 0 0 4 -4,-1.2 3,-1.6 -3,-0.6 6,-0.3 0.527 81.8 98.1 -90.9 -8.7 -4.6 39.7 45.9 62 85 A A T << S+ 0 0 51 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.1 0.752 84.9 45.3 -61.9 -32.4 -7.1 37.5 47.8 63 86 A G T 3 S+ 0 0 82 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.606 131.2 22.7 -83.4 -10.0 -8.7 40.2 49.8 64 87 A E X - 0 0 111 -3,-1.6 3,-2.5 -4,-0.1 4,-0.3 -0.581 65.9-178.6-153.5 77.1 -8.9 42.5 46.8 65 88 A P G > S+ 0 0 75 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.766 76.2 76.1 -56.3 -24.1 -8.9 40.6 43.5 66 89 A A G > S+ 0 0 65 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.705 75.6 79.2 -60.8 -17.0 -9.0 43.9 41.5 67 90 A L G X S+ 0 0 29 -3,-2.5 3,-1.3 -6,-0.3 29,-0.3 0.817 83.1 64.1 -58.4 -29.3 -5.3 44.3 42.4 68 91 A L G < S+ 0 0 18 -3,-1.9 29,-2.7 -4,-0.3 30,-0.3 0.751 97.6 55.8 -67.0 -20.7 -4.6 41.8 39.6 69 92 A Q G < S+ 0 0 128 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.468 78.2 123.8 -90.7 -0.0 -6.1 44.3 37.1 70 93 A R < - 0 0 148 -3,-1.3 26,-1.6 -4,-0.3 2,-0.4 -0.388 63.2-126.3 -61.9 129.5 -3.6 47.1 38.2 71 94 A R E -G 95 0C 194 24,-0.2 2,-0.6 -2,-0.1 24,-0.2 -0.637 16.6-156.3 -81.0 131.2 -1.6 48.4 35.2 72 95 A I E -G 94 0C 23 22,-2.9 22,-1.9 -2,-0.4 2,-1.2 -0.953 1.0-161.4-109.7 111.3 2.1 48.3 35.5 73 96 A A - 0 0 92 -2,-0.6 20,-0.1 20,-0.2 17,-0.1 -0.748 23.7-179.4 -95.6 81.4 3.8 50.9 33.2 74 97 A Y - 0 0 17 -2,-1.2 2,-0.3 1,-0.1 19,-0.1 -0.245 20.3-115.6 -77.6 169.5 7.3 49.4 33.2 75 98 A A > - 0 0 51 1,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.725 17.4-115.8-109.1 159.6 10.2 50.9 31.3 76 99 A K G > S+ 0 0 167 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.868 115.5 66.5 -57.4 -33.8 12.5 49.8 28.4 77 100 A G G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.691 92.8 59.5 -61.1 -21.0 15.2 49.8 31.0 78 101 A D G < S+ 0 0 69 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.653 81.2 110.9 -77.4 -18.6 13.6 47.0 32.9 79 102 A L < + 0 0 45 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.0 -0.446 39.8 165.7 -73.1 128.5 13.8 44.7 29.9 80 103 A I - 0 0 43 -2,-0.3 30,-0.3 1,-0.2 3,-0.3 -0.674 42.7 -61.8-126.2 179.1 16.2 41.7 30.1 81 104 A R S S+ 0 0 156 -2,-0.2 28,-0.3 1,-0.2 -1,-0.2 -0.130 111.7 31.2 -65.1 161.6 16.7 38.5 28.1 82 105 A Y S S+ 0 0 179 1,-0.1 27,-2.4 27,-0.1 -1,-0.2 0.901 79.9 128.0 58.2 50.5 14.1 35.8 27.8 83 106 A S > + 0 0 2 25,-0.3 4,-1.7 -3,-0.3 5,-0.2 -0.580 20.1 159.9-132.9 65.7 11.2 38.3 28.0 84 107 A P T 4 S+ 0 0 50 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.672 75.6 36.6 -73.4 -17.3 9.0 37.6 25.0 85 108 A I T >> S+ 0 0 34 2,-0.1 4,-1.5 3,-0.1 3,-0.5 0.860 115.3 48.9 -97.4 -51.5 5.8 39.2 26.3 86 109 A T H 3> S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.878 109.0 54.1 -60.7 -36.0 7.0 42.2 28.2 87 110 A E H 3< S+ 0 0 83 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.879 109.0 49.8 -66.3 -32.9 9.3 43.4 25.4 88 111 A Q H <4 S+ 0 0 142 -3,-0.5 3,-0.3 -5,-0.2 -1,-0.2 0.820 118.2 37.3 -71.1 -33.6 6.3 43.3 23.0 89 112 A H H >X S+ 0 0 95 -4,-1.5 4,-2.1 1,-0.2 3,-0.7 0.232 74.8 114.4-107.8 7.5 4.0 45.3 25.3 90 113 A V T 3< S+ 0 0 36 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.823 73.2 62.9 -54.8 -28.1 6.3 47.9 26.8 91 114 A G T 34 S+ 0 0 81 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.954 118.0 23.3 -61.0 -49.8 4.4 50.7 25.0 92 115 A A T <4 S- 0 0 73 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.638 102.9-133.5 -88.9 -18.9 1.1 50.1 26.8 93 116 A G < - 0 0 8 -4,-2.1 2,-0.3 -7,-0.1 -1,-0.2 -0.281 20.3-106.7 79.3 179.9 2.3 48.3 30.0 94 117 A M E -G 72 0C 4 -22,-1.9 -22,-2.9 -4,-0.1 2,-0.1 -0.986 21.5-109.3-144.1 151.6 0.6 45.2 31.3 95 118 A S E > -G 71 0C 10 -2,-0.3 4,-2.3 -24,-0.2 -24,-0.2 -0.389 35.2-108.8 -74.9 164.1 -1.7 44.3 34.2 96 119 A V H > S+ 0 0 14 -26,-1.6 4,-2.4 -29,-0.3 -27,-0.2 0.925 122.1 52.1 -57.1 -45.3 -0.4 42.3 37.1 97 120 A A H > S+ 0 0 17 -29,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.912 108.7 50.0 -58.7 -43.8 -2.5 39.3 35.9 98 121 A E H > S+ 0 0 106 -30,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.874 108.9 52.4 -64.3 -36.9 -0.9 39.6 32.4 99 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 109.6 49.4 -64.2 -41.8 2.6 39.7 34.0 100 123 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.940 111.4 48.5 -62.5 -46.1 1.7 36.5 35.9 101 124 A A H X S+ 0 0 21 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.901 113.1 48.5 -61.2 -39.4 0.5 34.7 32.8 102 125 A A H X S+ 0 0 3 -4,-2.3 6,-1.8 1,-0.2 4,-1.7 0.917 112.2 48.0 -66.4 -43.9 3.6 35.8 30.9 103 126 A T H X S+ 0 0 0 -4,-2.4 4,-0.6 4,-0.2 -2,-0.2 0.917 119.7 37.5 -62.5 -43.9 5.9 34.7 33.6 104 127 A L H < S+ 0 0 1 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.875 125.3 34.6 -77.3 -39.9 4.2 31.3 34.0 105 128 A Q H < S+ 0 0 32 -4,-2.7 87,-2.2 -5,-0.3 88,-0.3 0.734 134.4 21.9 -94.9 -22.6 3.4 30.5 30.3 106 129 A Y H < S- 0 0 98 -4,-1.7 -3,-0.2 -5,-0.4 3,-0.2 0.334 97.7-121.2-121.8 -1.7 6.4 32.0 28.5 107 130 A S < - 0 0 20 -4,-0.6 2,-0.4 -5,-0.3 -4,-0.2 0.846 40.2-170.5 57.2 41.2 8.9 32.1 31.4 108 131 A D > - 0 0 0 -6,-1.8 4,-1.8 1,-0.2 -25,-0.3 -0.432 12.2-164.7 -70.4 114.7 9.2 35.9 30.9 109 132 A N H > S+ 0 0 9 -27,-2.4 4,-2.2 -2,-0.4 34,-0.2 0.867 85.5 51.1 -74.3 -37.5 12.1 37.1 33.0 110 133 A T H > S+ 0 0 1 -30,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.929 109.0 53.2 -61.1 -44.6 11.3 40.8 33.1 111 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 108.2 50.5 -56.9 -43.2 7.8 40.0 34.2 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