==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-MAY-10 3N4I . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR M.S.HANES,K.A.REYNOLDS,C.MCNAMARA,P.GHOSH,R.A.BONOMO,J.F.KIR . 430 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 65.8 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 . 90 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 2 0 2 0 1 2 2 1 1 0 0 1 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 . 2 3 1 1 0 3 3 2 0 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 . 2 0 0 1 0 0 0 1 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 26 A S 0 0 135 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.3 -41.5 -64.8 12.5 2 27 A P - 0 0 34 0, 0.0 260,-0.1 0, 0.0 259,-0.1 -0.183 360.0 -98.4 -67.5 161.0 -40.4 -66.0 9.1 3 28 A Q > - 0 0 110 1,-0.1 4,-3.0 258,-0.1 5,-0.2 -0.335 44.1-101.5 -65.2 154.7 -36.7 -66.3 8.1 4 29 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.891 122.6 43.0 -49.2 -50.6 -35.4 -63.3 6.1 5 30 A L H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.856 113.2 53.4 -68.0 -31.8 -35.6 -65.0 2.7 6 31 A E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 110.4 47.9 -62.0 -46.6 -39.0 -66.5 3.6 7 32 A Q H X S+ 0 0 28 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.896 109.9 52.1 -61.1 -41.6 -40.2 -63.0 4.4 8 33 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.923 109.1 49.3 -63.1 -42.1 -38.8 -61.6 1.2 9 34 A K H X S+ 0 0 121 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.907 112.3 49.1 -63.1 -39.4 -40.6 -64.2 -0.9 10 35 A L H X S+ 0 0 78 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.939 111.9 49.0 -61.7 -46.4 -43.8 -63.4 1.0 11 36 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 6,-0.3 0.902 110.2 49.6 -62.2 -43.4 -43.3 -59.7 0.4 12 37 A E H X>S+ 0 0 24 -4,-2.9 4,-1.3 2,-0.2 5,-1.0 0.911 113.5 47.3 -63.4 -39.3 -42.6 -60.1 -3.4 13 38 A S H <5S+ 0 0 97 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.924 116.1 43.8 -65.8 -43.4 -45.7 -62.2 -3.7 14 39 A Q H <5S+ 0 0 108 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.873 122.6 36.6 -71.7 -38.5 -47.9 -59.7 -1.7 15 40 A L H <5S- 0 0 5 -4,-2.7 228,-0.4 -5,-0.2 -1,-0.2 0.576 94.8-134.6 -84.8 -15.4 -46.5 -56.6 -3.5 16 41 A S T <5S+ 0 0 91 -4,-1.3 2,-0.2 -5,-0.2 -3,-0.2 0.879 72.4 113.2 51.5 39.3 -46.1 -58.1 -7.0 17 42 A G S -A 232 0A 34 5,-2.8 4,-2.1 -2,-0.4 207,-0.2 -0.554 22.7-147.9 -69.3 128.8 -20.9 -57.8 8.5 26 51 A L T 4 S+ 0 0 22 205,-2.5 -1,-0.2 -2,-0.3 206,-0.1 0.923 91.4 45.7 -68.2 -43.6 -19.4 -54.4 9.1 27 52 A A T 4 S+ 0 0 85 204,-0.5 -1,-0.2 1,-0.2 205,-0.1 0.950 128.3 22.4 -64.7 -51.5 -16.0 -55.6 10.5 28 53 A S T 4 S- 0 0 56 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.695 91.4-129.9 -93.6 -23.1 -15.2 -58.3 7.9 29 54 A G < + 0 0 17 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.457 53.5 153.7 80.4 1.7 -17.3 -57.3 4.9 30 55 A R - 0 0 189 -6,-0.1 -5,-2.8 1,-0.1 2,-0.6 -0.365 47.9-123.0 -64.8 137.7 -18.7 -60.8 4.7 31 56 A T E +B 24 0A 80 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.748 29.9 178.9 -82.0 120.6 -22.1 -61.2 3.1 32 57 A L E - 0 0 80 -9,-2.8 2,-0.3 -2,-0.6 -8,-0.2 0.809 67.9 -0.9 -92.5 -37.8 -24.4 -62.9 5.6 33 58 A T E +B 23 0A 33 -10,-1.3 -10,-2.6 -29,-0.0 -1,-0.4 -0.969 68.1 177.8-150.1 150.5 -27.7 -63.0 3.6 34 59 A A E -B 22 0A 41 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.994 12.1-175.4-155.0 149.9 -28.5 -61.7 0.1 35 60 A W E S-B 21 0A 52 -14,-2.6 -14,-2.8 -2,-0.3 -2,-0.0 -0.934 81.2 -16.8-152.3 125.0 -31.4 -61.6 -2.3 36 61 A R S > S+ 0 0 63 -2,-0.3 3,-1.6 -16,-0.2 123,-0.1 0.837 83.7 156.8 48.7 38.1 -31.3 -60.2 -5.9 37 62 A A T 3 + 0 0 14 1,-0.3 122,-2.3 -16,-0.1 123,-0.4 0.667 65.7 48.6 -76.2 -11.2 -28.1 -58.6 -4.7 38 63 A D T 3 S+ 0 0 145 120,-0.1 -1,-0.3 119,-0.1 2,-0.3 0.352 90.7 99.0-103.8 4.4 -26.7 -58.3 -8.2 39 64 A E S < S- 0 0 61 -3,-1.6 2,-0.3 1,-0.1 120,-0.1 -0.647 78.0-111.4 -88.7 151.4 -29.8 -56.7 -9.8 40 65 A R + 0 0 88 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.590 35.2 178.9 -84.5 139.6 -30.0 -53.0 -10.3 41 66 A F E -E 156 0B 0 115,-2.5 115,-2.3 -2,-0.3 2,-0.1 -0.990 38.2 -98.6-132.6 146.0 -32.5 -50.9 -8.3 42 67 A P E -E 155 0B 16 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.434 27.2-150.5 -60.6 133.0 -33.1 -47.1 -8.4 43 68 A M > + 0 0 4 111,-2.4 3,-1.9 1,-0.1 112,-0.1 0.812 25.1 176.4 -73.9 -32.7 -31.1 -45.5 -5.5 44 69 A M G > S- 0 0 1 110,-0.5 3,-1.8 100,-0.5 4,-0.2 -0.260 72.3 -16.5 50.3-144.0 -33.6 -42.6 -5.0 45 70 A S G > S+ 0 0 2 1,-0.3 3,-1.9 167,-0.3 -1,-0.3 0.592 121.2 85.8 -68.8 -6.9 -32.4 -40.5 -2.0 46 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.3 1,-0.3 4,-0.5 0.761 76.2 72.0 -63.9 -20.1 -30.1 -43.3 -0.7 47 72 A F H <> S+ 0 0 2 -3,-1.8 4,-2.3 1,-0.2 3,-0.5 0.743 77.7 79.5 -62.5 -20.1 -27.5 -41.8 -3.1 48 73 A K H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.730 83.6 60.0 -67.9 -21.1 -27.1 -38.9 -0.8 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.2 -1,-0.3 0.922 108.8 44.2 -66.9 -43.2 -24.9 -40.8 1.6 50 75 A V H X S+ 0 0 4 -4,-0.5 4,-2.3 -3,-0.5 -2,-0.2 0.909 111.4 55.4 -64.9 -42.6 -22.4 -41.3 -1.3 51 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.940 110.4 42.8 -54.3 -52.2 -22.8 -37.7 -2.2 52 77 A a H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.806 109.3 59.7 -72.1 -24.5 -21.9 -36.4 1.3 53 78 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.923 107.2 46.6 -58.4 -45.2 -19.1 -39.0 1.3 54 79 A A H X S+ 0 0 5 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.869 111.5 51.2 -67.0 -39.0 -17.7 -37.3 -1.8 55 80 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.942 110.4 48.4 -62.1 -48.7 -18.1 -33.9 -0.2 56 81 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.833 105.5 58.6 -63.6 -32.5 -16.2 -35.1 3.0 57 82 A A H X S+ 0 0 24 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.908 107.1 47.9 -61.3 -40.5 -13.4 -36.5 0.8 58 83 A R H <>S+ 0 0 81 -4,-1.6 5,-2.7 2,-0.2 6,-0.9 0.876 110.0 52.3 -66.8 -37.9 -13.0 -33.0 -0.6 59 84 A V H ><5S+ 0 0 32 -4,-1.9 3,-1.6 4,-0.2 -2,-0.2 0.946 108.6 50.6 -59.4 -47.4 -13.0 -31.6 3.0 60 85 A D H 3<5S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.859 110.1 50.4 -58.5 -39.1 -10.3 -34.1 4.0 61 86 A A T 3<5S- 0 0 69 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.484 117.0-113.5 -79.2 -4.2 -8.2 -33.0 0.9 62 87 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.636 90.0 111.9 77.8 16.7 -8.6 -29.3 1.9 63 88 A D S - 0 0 89 -2,-0.3 3,-1.5 1,-0.1 29,-0.4 -0.999 16.0-143.5-129.1 134.2 -15.0 -26.6 4.0 66 91 A L T 3 S+ 0 0 27 -2,-0.4 29,-2.9 1,-0.3 30,-0.4 0.748 105.0 56.9 -63.7 -22.6 -18.2 -27.6 5.8 67 92 A E T 3 S+ 0 0 135 27,-0.2 -1,-0.3 26,-0.2 2,-0.2 0.485 78.0 119.3 -86.9 -4.9 -18.4 -24.0 7.0 68 93 A R < - 0 0 93 -3,-1.5 26,-1.9 1,-0.1 2,-0.4 -0.466 62.2-133.1 -68.0 127.6 -18.4 -22.6 3.4 69 94 A K E -F 93 0C 93 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.691 14.7-158.3 -87.4 127.7 -21.6 -20.7 2.7 70 95 A I E -F 92 0C 21 22,-3.1 22,-2.1 -2,-0.4 2,-0.6 -0.926 2.4-157.7-105.4 124.8 -23.4 -21.3 -0.6 71 96 A H + 0 0 140 -2,-0.5 2,-0.2 20,-0.2 17,-0.1 -0.911 22.5 177.8-102.4 122.8 -25.8 -18.6 -1.8 72 97 A Y - 0 0 16 -2,-0.6 2,-0.2 16,-0.3 19,-0.1 -0.598 15.6-129.1-124.3-176.5 -28.3 -20.1 -4.2 73 98 A R > - 0 0 170 -2,-0.2 3,-1.7 1,-0.0 4,-0.4 -0.783 32.4 -96.2-134.8 166.7 -31.3 -18.9 -6.2 74 99 A Q G > S+ 0 0 27 1,-0.3 3,-1.9 -2,-0.2 -1,-0.0 0.861 118.3 64.8 -51.8 -38.3 -34.9 -19.6 -7.0 75 100 A Q G 3 S+ 0 0 96 1,-0.3 -1,-0.3 350,-0.0 339,-0.0 0.779 96.6 58.1 -58.6 -25.9 -33.8 -21.5 -10.1 76 101 A D G < S+ 0 0 45 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.589 82.9 104.9 -80.6 -13.1 -32.1 -24.1 -7.8 77 102 A L < + 0 0 2 -3,-1.9 2,-0.3 -4,-0.4 3,-0.0 -0.551 44.4 170.3 -82.2 131.5 -35.3 -25.0 -6.0 78 103 A V - 0 0 0 -2,-0.3 30,-0.3 1,-0.1 29,-0.2 -0.849 43.3 -60.4-129.9 167.0 -37.0 -28.3 -6.7 79 104 A E S S+ 0 0 14 -2,-0.3 28,-0.2 1,-0.2 -1,-0.1 -0.142 115.6 25.6 -45.2 136.0 -39.8 -30.4 -5.3 80 105 A Y S S+ 0 0 5 27,-0.1 27,-2.7 26,-0.1 28,-0.2 0.967 76.9 135.3 67.0 63.3 -39.3 -31.7 -1.7 81 106 A S > + 0 0 0 25,-0.2 4,-2.4 26,-0.2 5,-0.3 -0.430 10.2 152.8-136.0 59.0 -37.0 -28.9 -0.4 82 107 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.880 78.2 35.6 -62.1 -41.1 -38.2 -27.9 3.1 83 108 A V H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.939 118.5 47.3 -80.8 -47.4 -34.9 -26.7 4.5 84 109 A S H 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 7,-0.2 0.873 110.8 53.3 -66.2 -33.4 -33.3 -25.2 1.4 85 110 A E H >< S+ 0 0 20 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.937 108.2 51.5 -62.2 -43.8 -36.6 -23.3 0.6 86 111 A K H 3< S+ 0 0 35 -4,-1.2 3,-0.4 -5,-0.3 -2,-0.2 0.875 114.3 42.9 -59.4 -38.0 -36.6 -21.8 4.2 87 112 A H T >X S+ 0 0 28 -4,-1.8 4,-2.8 1,-0.2 3,-0.9 0.296 78.4 111.4 -95.0 9.2 -32.9 -20.6 3.8 88 113 A L T <4 S+ 0 0 44 -3,-1.3 -16,-0.3 -4,-0.3 -1,-0.2 0.886 77.2 51.0 -51.1 -45.5 -33.2 -19.2 0.2 89 114 A A T 34 S+ 0 0 77 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.789 123.9 25.9 -68.0 -27.4 -32.8 -15.6 1.4 90 115 A D T <4 S- 0 0 80 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.579 100.9-128.2-115.0 -11.1 -29.6 -16.2 3.5 91 116 A G < - 0 0 1 -4,-2.8 2,-0.3 -7,-0.2 -20,-0.2 -0.225 17.6-107.0 89.5 175.6 -27.9 -19.3 2.0 92 117 A M E -F 70 0C 3 -22,-2.1 -22,-3.1 -4,-0.1 2,-0.1 -0.991 21.7-114.9-143.1 148.8 -26.6 -22.5 3.7 93 118 A T E > -F 69 0C 24 -2,-0.3 4,-2.2 -24,-0.3 -24,-0.2 -0.400 33.8-109.7 -76.6 161.7 -23.2 -23.9 4.6 94 119 A V H > S+ 0 0 0 -26,-1.9 4,-2.3 -29,-0.4 -27,-0.2 0.897 121.5 50.6 -55.3 -43.3 -22.0 -27.0 2.9 95 120 A G H > S+ 0 0 12 -29,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.888 109.3 50.3 -65.7 -39.2 -22.4 -28.9 6.2 96 121 A E H > S+ 0 0 89 -30,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.860 109.0 52.8 -64.6 -36.8 -26.0 -27.6 6.6 97 122 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.921 109.9 47.3 -66.0 -44.8 -26.7 -28.8 3.1 98 123 A a H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.931 111.4 51.6 -60.5 -43.4 -25.4 -32.3 3.8 99 124 A A H X S+ 0 0 28 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.913 113.5 44.4 -59.3 -42.8 -27.4 -32.4 7.1 100 125 A A H X S+ 0 0 3 -4,-2.2 6,-2.0 2,-0.2 4,-1.6 0.917 113.5 49.8 -68.6 -43.3 -30.6 -31.4 5.1 101 126 A A H X S+ 0 0 0 -4,-2.9 4,-0.6 4,-0.3 -2,-0.2 0.924 122.0 32.7 -59.8 -45.1 -29.9 -33.8 2.2 102 127 A I H < S+ 0 0 0 -4,-2.8 108,-0.3 -5,-0.2 -2,-0.2 0.947 125.8 36.7 -81.3 -48.8 -29.4 -36.8 4.6 103 128 A T H < S+ 0 0 12 -4,-2.5 87,-2.6 -5,-0.4 88,-0.5 0.763 135.2 20.1 -80.6 -25.4 -31.6 -36.1 7.5 104 129 A M H < S- 0 0 0 -4,-1.6 -1,-0.2 -5,-0.4 -3,-0.2 0.325 96.3-121.6-123.2 1.3 -34.6 -34.6 5.6 105 130 A S < - 0 0 1 -4,-0.6 2,-0.4 -5,-0.2 -4,-0.3 0.861 41.0-174.9 55.7 38.5 -34.0 -35.8 2.1 106 131 A D > - 0 0 0 -6,-2.0 4,-1.3 1,-0.2 -25,-0.2 -0.525 11.8-161.4 -69.7 121.3 -33.9 -32.2 0.9 107 132 A N H > S+ 0 0 4 -27,-2.7 4,-2.1 -2,-0.4 34,-0.2 0.891 85.0 49.2 -79.1 -41.3 -33.7 -32.4 -2.9 108 133 A S H > S+ 0 0 0 -30,-0.3 4,-2.6 1,-0.2 5,-0.2 0.908 108.2 56.1 -63.6 -38.3 -32.4 -28.9 -3.7 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 107.0 50.4 -56.4 -43.9 -29.7 -29.3 -1.0 110 135 A A H X S+ 0 0 0 -4,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.916 109.5 49.9 -63.3 -42.3 -28.6 -32.5 -2.9 111 136 A N H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.892 109.8 51.1 -62.3 -40.2 -28.4 -30.6 -6.2 112 137 A L H X S+ 0 0 17 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.930 113.4 45.0 -62.4 -43.4 -26.4 -27.8 -4.7 113 138 A L H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 3,-0.5 0.892 107.6 58.5 -65.9 -40.6 -23.9 -30.4 -3.2 114 139 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 3,-1.1 0.893 100.2 57.7 -56.5 -40.6 -23.8 -32.3 -6.5 115 140 A A H ><5S+ 0 0 62 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.883 101.7 56.3 -58.1 -36.0 -22.6 -29.2 -8.3 116 141 A T H 3<5S+ 0 0 27 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.702 108.7 45.8 -71.6 -20.6 -19.6 -29.1 -5.9 117 142 A V T <<5S- 0 0 22 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.214 129.0 -87.7-107.2 13.9 -18.5 -32.6 -6.8 118 143 A G T <>5 - 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0 0 75 19,-2.4 2,-0.5 16,-0.1 19,-0.5 -0.996 24.2-160.4-147.8 136.1 -24.0 -44.8 -11.2 137 162 A L + 0 0 4 -17,-0.4 -13,-0.3 -2,-0.4 3,-0.1 -0.983 21.9 159.0-113.3 134.5 -25.7 -41.4 -10.9 138 163 A D + 0 0 62 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.616 56.4 42.4-124.0 -30.9 -26.8 -39.9 -14.3 139 164 A R S S- 0 0 32 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.724 70.2-122.0-123.9 167.5 -29.4 -37.3 -13.4 140 165 A W > - 0 0 100 -2,-0.2 4,-1.7 1,-0.1 2,-0.3 -0.434 56.8 -38.6 -96.1 174.6 -30.1 -34.6 -10.9 141 166 A E T 4 S+ 0 0 0 1,-0.3 -1,-0.1 -34,-0.2 -62,-0.0 -0.616 119.3 15.5 -66.9 133.1 -33.0 -34.2 -8.5 142 167 A T T >4 S+ 0 0 11 -2,-0.3 3,-2.0 -64,-0.1 -1,-0.3 -0.993 118.2 56.8-114.3 -1.4 -35.8 -34.8 -9.2 143 168 A E G >4 S+ 0 0 48 1,-0.3 3,-2.0 -3,-0.2 4,-0.2 0.758 91.4 75.5 -61.5 -25.1 -35.6 -36.9 -12.4 144 169 A L G 3< S+ 0 0 2 -4,-1.7 -100,-0.5 1,-0.3 3,-0.4 0.652 89.4 60.7 -62.1 -13.5 -33.4 -39.5 -10.7 145 170 A N G < S+ 0 0 1 -3,-2.0 69,-2.8 1,-0.2 -1,-0.3 0.357 71.6 102.4 -93.1 5.9 -36.5 -40.8 -8.8 146 171 A E < - 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0 0 9 -2,-0.3 4,-2.9 -117,-0.2 5,-0.3 -0.932 27.4-116.8-118.5 153.2 -27.1 -53.1 -6.7 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.929 116.5 50.0 -54.0 -41.6 -27.6 -54.1 -3.1 159 184 A A H > S+ 0 0 25 -122,-2.3 4,-2.1 1,-0.2 5,-0.2 0.904 113.0 44.7 -61.1 -43.4 -24.1 -55.7 -3.1 160 185 A S H > S+ 0 0 13 -123,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.917 113.3 50.0 -71.6 -40.3 -22.4 -52.7 -4.5 161 186 A M H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.921 111.1 49.3 -62.8 -42.5 -24.2 -50.2 -2.2 162 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.948 113.1 46.7 -62.6 -45.8 -23.3 -52.3 0.9 163 188 A A H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.903 113.3 49.3 -63.0 -40.6 -19.6 -52.5 -0.1 164 189 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 109.6 50.4 -67.0 -41.4 -19.5 -48.8 -0.9 165 190 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.922 110.5 50.9 -61.2 -43.0 -21.1 -47.9 2.5 166 191 A R H X>S+ 0 0 74 -4,-2.4 4,-2.1 -5,-0.2 5,-0.6 0.927 110.8 49.3 -59.9 -43.2 -18.6 -50.1 4.2 167 192 A K H X5S+ 0 0 43 -4,-2.4 4,-1.4 1,-0.2 6,-0.4 0.929 114.1 44.6 -62.0 -46.1 -15.8 -48.3 2.3 168 193 A L H <5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 121.5 36.1 -66.1 -38.9 -17.0 -44.8 3.2 169 194 A L H <5S+ 0 0 15 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.675 132.6 17.4 -95.1 -18.8 -17.8 -45.4 6.8 170 195 A T H <5S+ 0 0 63 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.535 100.0 84.9-132.7 -11.4 -15.0 -47.8 7.9 171 196 A S S >< - 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0 0 7 -26,-1.3 -1,-0.2 -224,-0.1 -225,-0.1 -0.996 51.5-153.6-134.3 140.9 -44.8 -52.5 -7.5 242 269 A P + 0 0 120 0, 0.0 -26,-0.1 0, 0.0 -226,-0.1 0.376 59.1 126.2 -84.3 3.6 -48.3 -50.9 -7.7 243 270 A A - 0 0 14 -228,-0.4 -2,-0.1 -28,-0.1 -228,-0.1 -0.175 65.3-101.1 -69.4 155.8 -48.6 -51.0 -3.9 244 271 A S > - 0 0 56 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.233 31.7-107.3 -69.3 162.7 -49.4 -48.0 -1.7 245 272 A M H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.907 120.8 55.3 -57.0 -44.2 -46.8 -46.2 0.3 246 273 A A H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 110.4 45.2 -54.9 -47.3 -48.2 -47.7 3.6 247 274 A E H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 111.7 51.2 -64.0 -43.4 -47.8 -51.2 2.1 248 275 A R H X S+ 0 0 26 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.936 113.2 46.1 -60.6 -44.9 -44.3 -50.5 0.8 249 276 A N H X S+ 0 0 18 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.924 111.7 51.3 -61.5 -47.1 -43.2 -49.2 4.2 250 277 A Q H X S+ 0 0 135 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.868 110.7 48.9 -59.3 -38.6 -44.8 -52.1 6.1 251 278 A Q H X S+ 0 0 23 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.916 111.5 47.3 -71.8 -42.6 -43.1 -54.7 3.9 252 279 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.941 113.2 49.6 -60.3 -45.4 -39.6 -53.1 4.3 253 280 A A H X S+ 0 0 8 -4,-2.8 4,-2.8 -59,-0.3 -2,-0.2 0.905 110.2 52.2 -61.0 -39.9 -40.2 -52.9 8.0 254 281 A G H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.849 109.1 47.9 -63.1 -38.2 -41.3 -56.6 7.9 255 282 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.935 112.9 49.3 -69.4 -43.9 -38.1 -57.6 6.1 256 283 A G H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.906 109.6 52.3 -55.9 -43.6 -36.1 -55.6 8.7 257 284 A A H X S+ 0 0 35 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.870 108.3 50.3 -64.5 -37.3 -38.0 -57.3 11.5 258 285 A A H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.888 110.0 50.3 -66.3 -39.7 -37.2 -60.8 10.1 259 286 A L H < S+ 0 0 4 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.875 114.9 44.3 -63.3 -39.4 -33.5 -59.8 9.9 260 287 A I H >< S+ 0 0 20 -4,-2.2 3,-1.5 2,-0.2 -2,-0.2 0.921 112.6 50.1 -72.4 -44.8 -33.6 -58.6 13.5 261 288 A E H 3< S+ 0 0 91 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.867 119.3 39.0 -59.8 -35.0 -35.6 -61.7 14.7 262 289 A H T >< S+ 0 0 22 -4,-2.0 3,-1.1 1,-0.2 -1,-0.3 -0.024 76.8 129.9-107.3 29.6 -33.1 -64.0 13.0 263 290 A W T < S+ 0 0 19 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.806 87.1 20.6 -54.3 -38.0 -30.0 -61.9 13.9 264 291 A Q T 3 0 0 150 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.145 360.0 360.0-121.1 16.1 -28.1 -65.0 15.2 265 292 A R < 0 0 213 -3,-1.1 -3,-0.0 0, 0.0 -4,-0.0 -0.893 360.0 360.0-108.7 360.0 -30.0 -67.8 13.5 266 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 267 1 B A 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.5 -57.2 -31.5 15.3 268 2 B G - 0 0 49 2,-0.0 27,-0.1 42,-0.0 3,-0.1 -0.089 360.0 -58.2 79.2-178.5 -55.3 -33.4 12.6 269 3 B V S S- 0 0 65 1,-0.2 41,-0.2 25,-0.0 2,-0.1 -0.147 78.4 -57.6 -85.5-174.8 -52.1 -32.8 10.8 270 4 B M + 0 0 3 39,-2.4 41,-0.3 48,-0.2 2,-0.3 -0.463 67.3 179.9 -65.3 140.9 -51.2 -29.7 8.8 271 5 B T > - 0 0 53 39,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.892 45.0-106.3-138.7 166.3 -53.7 -29.1 5.9 272 6 B G H > S+ 0 0 16 69,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.886 119.8 55.6 -58.8 -42.1 -54.6 -26.8 3.0 273 7 B A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 108.9 45.6 -58.8 -46.4 -57.5 -25.5 5.1 274 8 B K H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 110.1 55.5 -62.3 -40.8 -55.2 -24.5 8.0 275 9 B F H < S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 108.9 47.0 -58.8 -42.5 -52.7 -23.0 5.5 276 10 B T H < S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.9 53.6 -68.4 -35.8 -55.5 -20.7 4.1 277 11 B Q H < S+ 0 0 113 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.794 92.0 84.6 -70.8 -30.2 -56.6 -19.7 7.6 278 12 B I S < S- 0 0 0 -4,-1.8 2,-0.3 -5,-0.1 9,-0.0 -0.595 71.1-163.7 -74.4 135.1 -53.1 -18.7 8.6 279 13 B Q > - 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