==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-03 1ONG . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR M.NUKAGA,K.MAYAMA,R.A.BONOMO,J.R.KNOX . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 70.2 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 . 38 14.3 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 . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.1 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 0 0 0 1 0 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 . 0 2 0 1 0 0 1 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 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 26 A S 0 0 73 0, 0.0 254,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 152.6 37.0 30.7 10.7 2 27 A P - 0 0 51 0, 0.0 259,-0.1 0, 0.0 260,-0.1 -0.391 360.0 -77.3 -68.5 166.6 36.7 31.4 14.4 3 28 A Q > - 0 0 102 1,-0.1 4,-2.6 258,-0.1 5,-0.2 -0.268 53.7-101.6 -54.4 150.2 35.1 28.8 16.6 4 29 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.883 121.1 48.7 -50.5 -44.5 31.3 28.8 16.3 5 30 A L H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.920 112.5 48.5 -64.5 -41.9 30.6 30.7 19.5 6 31 A E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 111.0 50.9 -62.1 -41.4 33.2 33.4 18.6 7 32 A Q H X S+ 0 0 23 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.915 108.1 52.3 -66.9 -38.5 31.7 33.7 15.1 8 33 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.915 110.4 48.5 -60.9 -42.3 28.2 34.1 16.5 9 34 A K H X S+ 0 0 106 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 110.0 51.3 -62.7 -45.3 29.5 36.9 18.7 10 35 A L H X S+ 0 0 42 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.881 106.4 55.0 -59.3 -39.4 31.2 38.5 15.8 11 36 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 6,-0.4 0.918 108.2 48.9 -63.6 -41.6 28.0 38.4 13.8 12 37 A E H X S+ 0 0 30 -4,-2.0 4,-1.8 2,-0.2 5,-0.4 0.912 112.1 48.8 -59.8 -45.6 26.2 40.3 16.7 13 38 A S H < S+ 0 0 95 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.933 115.9 43.4 -61.8 -44.2 28.9 42.9 16.8 14 39 A Q H < S+ 0 0 121 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 122.0 36.9 -71.6 -37.1 28.8 43.3 13.0 15 40 A L H < S- 0 0 8 -4,-2.7 228,-0.4 -5,-0.2 -1,-0.2 0.651 93.3-138.0 -84.4 -19.2 25.0 43.4 12.7 16 41 A S S < S+ 0 0 98 -4,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.595 71.1 106.6 60.6 15.8 24.3 45.3 15.9 17 42 A G S S- 0 0 9 -5,-0.4 2,-0.5 -6,-0.4 -1,-0.3 -0.546 78.0 -92.7-112.3-178.3 21.5 42.8 16.4 18 43 A R E -A 239 0A 116 221,-2.2 221,-2.2 -2,-0.2 2,-0.4 -0.821 33.8-164.7 -94.2 135.4 20.7 39.8 18.5 19 44 A V E -A 238 0A 0 -2,-0.5 2,-0.4 219,-0.2 219,-0.2 -0.936 2.2-167.6-116.3 140.0 21.5 36.3 17.3 20 45 A G E +A 237 0A 0 217,-2.8 217,-2.5 -2,-0.4 2,-0.3 -0.997 16.2 170.2-124.3 135.8 20.0 33.2 18.8 21 46 A M E -AB 236 35A 0 14,-2.6 14,-1.9 -2,-0.4 2,-0.3 -0.999 20.2-176.8-150.2 145.8 21.4 29.8 17.9 22 47 A I E -AB 235 34A 4 213,-2.1 213,-2.6 -2,-0.3 2,-0.4 -0.995 6.6-167.1-132.6 143.4 21.3 26.1 18.8 23 48 A E E +AB 234 33A 0 10,-2.0 9,-3.0 -2,-0.3 10,-1.4 -1.000 23.9 174.0-122.2 122.2 23.3 23.2 17.3 24 49 A M E -AB 233 31A 14 209,-2.7 209,-2.8 -2,-0.4 2,-0.3 -0.987 37.9-112.4-136.2 137.5 21.8 19.9 18.4 25 50 A D E > -A 232 0A 36 5,-2.6 4,-2.3 -2,-0.4 207,-0.3 -0.512 26.8-146.3 -64.5 124.1 22.5 16.2 17.5 26 51 A L T 4 S+ 0 0 25 205,-2.6 -1,-0.2 -2,-0.3 206,-0.1 0.928 93.0 46.0 -60.6 -46.0 19.4 15.0 15.6 27 52 A A T 4 S+ 0 0 81 204,-0.5 -1,-0.2 1,-0.2 205,-0.1 0.891 129.4 18.2 -67.7 -40.9 19.6 11.5 16.9 28 53 A S T 4 S- 0 0 72 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.682 90.7-122.5-108.2 -22.3 20.2 12.2 20.6 29 54 A G < + 0 0 19 -4,-2.3 -3,-0.1 1,-0.3 2,-0.1 0.460 50.8 161.2 87.9 1.5 19.2 15.8 21.3 30 55 A R - 0 0 128 -6,-0.1 -5,-2.6 1,-0.1 2,-0.6 -0.330 36.6-135.8 -54.2 127.6 22.7 16.6 22.6 31 56 A T E +B 24 0A 72 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.799 29.2 172.8 -89.3 118.5 23.1 20.4 22.6 32 57 A L E + 0 0 31 -9,-3.0 2,-0.4 -2,-0.6 -8,-0.2 0.803 68.5 20.4 -95.0 -34.5 26.6 21.2 21.2 33 58 A T E +B 23 0A 14 -10,-1.4 -10,-2.0 -29,-0.0 2,-0.4 -0.995 61.9 177.8-139.0 133.2 26.2 25.0 20.9 34 59 A A E +B 22 0A 55 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.990 5.6 166.9-129.7 138.6 23.8 27.4 22.7 35 60 A W E S-B 21 0A 53 -14,-1.9 -14,-2.6 -2,-0.4 4,-0.1 -0.857 81.3 -21.6-152.0 116.6 23.7 31.1 22.3 36 61 A R S > S+ 0 0 71 -2,-0.3 3,-1.8 -16,-0.2 123,-0.1 0.841 86.9 158.7 52.8 38.5 20.7 33.1 23.6 37 62 A A T 3 + 0 0 12 1,-0.3 122,-2.6 -16,-0.1 123,-0.4 0.685 66.3 44.7 -75.8 -14.2 18.9 29.8 23.3 38 63 A D T 3 S+ 0 0 138 120,-0.2 -1,-0.3 119,-0.1 2,-0.2 0.229 92.6 105.0-107.7 9.9 16.1 30.7 25.7 39 64 A E S < S- 0 0 62 -3,-1.8 2,-0.3 -4,-0.1 120,-0.1 -0.638 75.6-107.0 -89.1 152.1 15.5 34.2 24.3 40 65 A R + 0 0 131 -2,-0.2 117,-0.2 117,-0.2 -2,-0.1 -0.582 38.1 172.7 -83.8 136.8 12.5 34.9 22.1 41 66 A F E -E 156 0B 0 115,-2.6 115,-2.3 -2,-0.3 2,-0.1 -0.989 40.4 -99.9-137.0 142.9 12.8 35.5 18.4 42 67 A P E -E 155 0B 5 0, 0.0 113,-0.3 0, 0.0 196,-0.1 -0.448 26.5-150.2 -58.8 132.9 10.1 35.9 15.7 43 68 A M > + 0 0 4 111,-2.3 3,-1.8 101,-0.2 112,-0.1 0.811 27.8 174.1 -73.3 -30.2 9.5 32.6 13.8 44 69 A M G > - 0 0 1 110,-0.5 3,-1.9 100,-0.4 4,-0.2 -0.181 69.5 -15.8 49.1-141.7 8.5 34.2 10.6 45 70 A S G > S+ 0 0 14 167,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.633 121.3 83.8 -70.8 -10.1 8.1 31.6 7.8 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.6 0.761 75.1 75.5 -62.9 -20.4 10.0 28.9 9.8 47 72 A F H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.3 -1,-0.3 0.746 75.6 78.7 -60.7 -22.5 6.6 28.2 11.5 48 73 A K H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.773 86.7 56.9 -62.2 -27.9 5.5 26.4 8.4 49 74 A V H <> S+ 0 0 0 -3,-1.4 4,-1.8 -4,-0.2 -1,-0.2 0.947 109.6 44.1 -65.7 -45.6 7.5 23.3 9.4 50 75 A V H X S+ 0 0 2 -4,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.884 109.9 58.2 -65.5 -39.1 5.6 23.0 12.7 51 76 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.937 107.5 44.6 -52.9 -50.2 2.4 23.7 10.9 52 77 A a H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.826 107.0 60.4 -76.2 -22.5 2.8 20.8 8.6 53 78 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.918 106.4 47.9 -54.1 -45.7 3.8 18.6 11.7 54 79 A A H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.874 110.7 50.9 -64.8 -39.7 0.4 19.4 13.1 55 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.936 109.9 49.8 -63.2 -45.7 -1.3 18.5 9.8 56 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.890 105.8 57.0 -65.0 -33.7 0.6 15.2 9.7 57 82 A A H X S+ 0 0 29 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.909 106.8 49.1 -62.1 -40.3 -0.4 14.4 13.3 58 83 A R H <>S+ 0 0 85 -4,-1.7 5,-2.3 2,-0.2 6,-0.9 0.895 109.4 52.4 -66.2 -38.3 -4.0 14.8 12.2 59 84 A V H ><5S+ 0 0 37 -4,-2.2 3,-1.4 4,-0.3 5,-0.2 0.945 108.7 49.9 -60.6 -44.4 -3.4 12.5 9.3 60 85 A D H 3<5S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.8 53.4 -62.2 -33.9 -1.9 9.8 11.6 61 86 A A T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.527 117.6-111.6 -79.7 -4.4 -5.0 10.1 13.9 62 87 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.582 92.6 110.0 83.9 12.4 -7.4 9.5 11.0 63 88 A D S - 0 0 116 -2,-0.3 3,-1.3 1,-0.1 29,-0.4 -0.999 15.1-143.8-129.6 134.6 -5.9 13.0 4.5 66 91 A L T 3 S+ 0 0 26 -2,-0.4 29,-2.7 1,-0.3 30,-0.4 0.787 104.7 57.3 -64.0 -24.1 -2.9 14.4 2.5 67 92 A E T 3 S+ 0 0 135 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.612 77.1 116.9 -78.0 -15.4 -5.0 13.6 -0.6 68 93 A R < - 0 0 94 -3,-1.3 26,-1.9 25,-0.1 2,-0.4 -0.358 63.2-133.4 -66.1 128.0 -8.0 15.7 0.5 69 94 A K E -F 93 0C 86 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.688 15.1-157.8 -84.1 129.2 -8.6 18.5 -2.0 70 95 A I E -F 92 0C 21 22,-3.0 22,-2.0 -2,-0.4 2,-0.4 -0.913 5.0-155.8-104.1 125.7 -9.2 22.0 -0.6 71 96 A H + 0 0 118 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.795 20.0 170.0 -99.3 148.3 -11.0 24.5 -2.8 72 97 A Y - 0 0 8 16,-0.4 2,-0.3 -2,-0.4 19,-0.1 -0.911 23.9-120.8-150.8 171.8 -10.5 28.2 -2.2 73 98 A R > - 0 0 170 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.780 27.1-110.9-122.8 162.6 -11.3 31.5 -3.7 74 99 A Q G > S+ 0 0 144 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.866 115.1 61.6 -62.1 -33.7 -9.3 34.5 -4.9 75 100 A Q G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.704 98.1 61.3 -64.3 -19.5 -10.5 36.7 -2.1 76 101 A D G < S+ 0 0 80 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.637 82.5 105.1 -80.1 -21.6 -8.8 34.2 0.3 77 102 A L < - 0 0 41 -3,-1.6 2,-0.2 -4,-0.5 4,-0.1 -0.368 50.9-166.5 -72.4 139.5 -5.3 34.8 -1.2 78 103 A V - 0 0 45 1,-0.1 30,-0.3 2,-0.1 29,-0.1 -0.605 44.6 -53.3-108.8 175.0 -2.7 36.8 0.8 79 104 A D S S+ 0 0 123 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.271 116.6 21.4 -54.0 134.9 0.6 38.3 -0.4 80 105 A Y + 0 0 119 27,-0.1 27,-2.6 1,-0.1 28,-0.5 0.973 63.6 155.4 66.7 88.6 3.0 35.8 -2.1 81 106 A S > + 0 0 6 25,-0.2 4,-2.4 26,-0.2 5,-0.2 -0.462 4.5 160.0-132.3 55.9 0.9 32.9 -3.3 82 107 A P T 4 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.758 80.3 24.4 -62.9 -32.5 3.1 31.5 -6.1 83 108 A V T >4 S+ 0 0 35 2,-0.1 3,-1.6 -3,-0.1 4,-0.3 0.837 121.8 52.5 -93.7 -50.6 1.6 28.0 -6.2 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.837 99.4 62.8 -65.0 -28.9 -1.9 28.6 -4.7 85 110 A E G >< S+ 0 0 116 -4,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.770 98.8 58.6 -66.8 -20.1 -2.8 31.4 -7.1 86 111 A K G < S+ 0 0 103 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.528 103.0 52.9 -80.8 -7.4 -2.5 28.9 -10.0 87 112 A H G <> + 0 0 43 -3,-1.7 4,-2.6 -4,-0.3 -15,-0.3 -0.071 60.8 120.8-127.7 30.5 -5.2 26.5 -8.5 88 113 A L T <4 S+ 0 0 52 -3,-0.6 -16,-0.4 1,-0.2 -1,-0.1 0.938 85.9 40.5 -58.7 -42.7 -8.2 28.7 -7.9 89 114 A A T 4 S+ 0 0 99 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.865 126.9 28.5 -72.8 -38.5 -10.2 26.5 -10.3 90 115 A D T 4 S- 0 0 71 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.526 95.4-139.7-110.3 -7.3 -9.0 23.1 -9.4 91 116 A G < - 0 0 0 -4,-2.6 2,-0.3 -19,-0.1 -20,-0.2 -0.067 15.8 -99.2 75.8 175.8 -8.0 23.4 -5.7 92 117 A M E -F 70 0C 1 -22,-2.0 -22,-3.0 -4,-0.1 2,-0.1 -0.996 26.4-115.5-136.9 144.7 -4.9 21.9 -4.0 93 118 A T E > -F 69 0C 29 -2,-0.3 4,-2.5 -24,-0.3 -24,-0.2 -0.365 31.7-111.1 -72.7 159.0 -4.6 18.8 -1.8 94 119 A V H > S+ 0 0 0 -26,-1.9 4,-2.2 -29,-0.4 -27,-0.2 0.919 121.9 49.5 -55.1 -43.2 -3.6 19.1 1.8 95 120 A G H > S+ 0 0 12 -29,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.906 109.0 50.5 -65.4 -37.9 -0.2 17.6 0.9 96 121 A E H > S+ 0 0 78 -30,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.847 108.3 54.1 -63.4 -37.7 0.3 19.9 -2.0 97 122 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.922 108.8 47.8 -65.4 -42.2 -0.5 22.8 0.3 98 123 A a H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.921 111.1 51.3 -64.2 -40.5 2.2 21.7 2.8 99 124 A A H X>S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.2 5,-0.5 0.921 113.2 45.5 -59.0 -43.9 4.6 21.3 -0.1 100 125 A A H X5S+ 0 0 3 -4,-2.4 6,-2.1 3,-0.2 4,-1.4 0.926 114.1 48.0 -66.2 -43.5 3.8 24.8 -1.2 101 126 A A H X5S+ 0 0 0 -4,-2.8 4,-0.7 4,-0.3 -2,-0.2 0.933 122.9 31.6 -62.9 -49.6 4.1 26.3 2.2 102 127 A I H <5S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.932 127.0 37.2 -78.0 -45.8 7.4 24.6 3.1 103 128 A T H <5S+ 0 0 13 -4,-2.5 87,-2.4 -5,-0.4 88,-0.7 0.768 135.7 19.0 -85.3 -22.5 9.2 24.4 -0.2 104 129 A M H < - 0 0 0 -6,-2.1 4,-1.7 1,-0.2 -1,-0.2 -0.462 14.1-160.5 -69.3 122.5 3.4 30.1 -0.1 107 132 A N H > S+ 0 0 14 -27,-2.6 4,-2.2 -2,-0.4 34,-0.3 0.861 85.6 51.7 -82.6 -36.0 1.5 32.2 2.3 108 133 A S H > S+ 0 0 2 -28,-0.5 4,-2.5 -30,-0.3 -1,-0.2 0.902 108.8 53.1 -63.9 -40.4 -2.0 31.4 1.2 109 134 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 108.3 50.7 -58.3 -45.7 -1.2 27.7 1.4 110 135 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.908 110.8 48.3 -59.7 -42.9 -0.0 28.2 5.0 111 136 A N H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.902 109.1 52.2 -67.4 -36.2 -3.2 30.0 5.9 112 137 A L H X S+ 0 0 30 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.902 112.5 46.4 -63.0 -39.4 -5.4 27.3 4.3 113 138 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.5 0.886 107.1 57.1 -68.7 -41.1 -3.5 24.7 6.4 114 139 A L H ><>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.9 0.917 102.2 56.4 -55.8 -40.3 -3.8 26.8 9.5 115 140 A A H ><5S+ 0 0 67 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.829 104.4 53.9 -63.1 -30.2 -7.6 26.8 9.1 116 141 A T H 3<5S+ 0 0 25 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.762 109.9 45.3 -74.7 -21.4 -7.4 22.9 9.1 117 142 A V T <<5S- 0 0 19 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.261 128.1 -86.8-108.4 11.0 -5.6 22.7 12.4 118 143 A G T <>5 - 0 0 53 -3,-0.7 4,-1.6 -4,-0.4 3,-0.3 0.684 66.9 -89.4 96.1 19.4 -7.6 25.2 14.4 119 144 A G H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 17,-0.4 0.874 142.8 52.7 -48.9 -42.4 -2.9 29.9 15.4 121 146 A A H > S+ 0 0 78 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.918 109.5 49.9 -62.9 -42.0 -4.6 28.9 18.7 122 147 A G H X S+ 0 0 19 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.900 111.0 47.9 -59.9 -43.5 -4.9 25.3 17.4 123 148 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.914 111.0 51.1 -66.2 -40.7 -1.3 25.2 16.4 124 149 A T H X S+ 0 0 22 -4,-2.5 4,-2.2 13,-0.3 -2,-0.2 0.916 108.6 51.9 -63.6 -40.1 -0.2 26.6 19.7 125 150 A A H X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.889 107.6 52.9 -62.7 -37.5 -2.3 23.9 21.4 126 151 A F H X S+ 0 0 28 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.938 107.5 51.5 -59.4 -48.1 -0.6 21.2 19.3 127 152 A L H ><>S+ 0 0 2 -4,-2.2 5,-2.9 1,-0.2 3,-0.5 0.924 109.1 50.0 -54.4 -47.0 2.8 22.6 20.4 128 153 A R H ><5S+ 0 0 86 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.890 107.3 55.8 -62.8 -37.5 1.7 22.3 24.1 129 154 A Q H 3<5S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 106.9 47.6 -68.5 -25.0 0.6 18.7 23.5 130 155 A I T <<5S- 0 0 12 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.359 128.8 -98.0 -96.7 7.2 4.0 17.7 22.2 131 156 A G T < 5S+ 0 0 39 -3,-1.2 2,-0.8 -4,-0.3 -3,-0.2 0.662 79.4 136.2 91.6 19.0 5.6 19.4 25.2 132 157 A D < + 0 0 4 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.884 20.7 171.3 -94.5 108.9 6.6 22.8 23.7 133 158 A N + 0 0 117 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.282 69.4 46.9-100.4 6.7 5.6 25.2 26.4 134 159 A V S S+ 0 0 63 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.738 82.4 87.0-118.1 -51.8 7.3 28.3 24.8 135 160 A T - 0 0 0 -8,-0.1 2,-0.4 22,-0.1 21,-0.2 -0.353 54.8-178.8 -60.8 142.9 6.6 28.6 21.0 136 161 A R - 0 0 81 19,-2.5 2,-0.4 16,-0.1 19,-0.4 -0.997 22.4-160.7-147.8 136.7 3.5 30.4 20.2 137 162 A L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.4 3,-0.1 -0.966 20.7 159.6-113.0 133.5 1.6 31.4 17.0 138 163 A D + 0 0 57 -2,-0.4 2,-0.2 1,-0.1 -17,-0.1 0.601 56.4 41.7-125.6 -24.0 -0.9 34.3 17.3 139 164 A R S S- 0 0 32 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.720 70.1-117.8-126.7 173.1 -1.5 35.6 13.8 140 165 A W > - 0 0 99 -2,-0.2 4,-1.3 1,-0.1 3,-0.4 -0.476 58.0 -39.9-100.2 168.7 -2.0 34.5 10.2 141 166 A E T 4 S+ 0 0 2 1,-0.3 -1,-0.1 -34,-0.3 -62,-0.0 -0.630 120.0 9.7 -66.6 139.2 0.2 35.2 7.2 142 167 A T T >4 S+ 0 0 43 -2,-0.2 3,-1.6 -64,-0.1 -1,-0.3 -0.986 118.6 62.8-103.6 6.9 1.5 37.8 6.6 143 168 A E G >4 S+ 0 0 116 -3,-0.4 3,-1.3 1,-0.3 -2,-0.2 0.700 87.8 75.4 -67.5 -16.5 1.0 39.7 9.8 144 169 A L G 3< S+ 0 0 2 -4,-1.3 -100,-0.4 1,-0.3 3,-0.4 0.634 85.7 65.1 -72.8 -10.6 3.0 37.3 11.9 145 170 A N G < + 0 0 26 -3,-1.6 69,-2.1 1,-0.2 -1,-0.3 0.247 66.0 107.7 -90.0 7.6 6.3 38.7 10.4 146 171 A E < - 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0 0 4 -2,-0.3 4,-2.7 -117,-0.2 5,-0.3 -0.932 26.7-117.7-119.9 154.4 13.3 30.3 21.2 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.924 116.4 49.4 -54.8 -43.6 16.2 28.5 19.5 159 184 A A H > S+ 0 0 27 -122,-2.6 4,-2.2 2,-0.2 5,-0.2 0.897 113.2 45.4 -65.5 -41.2 16.1 25.7 22.2 160 185 A S H > S+ 0 0 21 -123,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.924 113.1 49.0 -71.6 -39.3 12.4 25.2 21.9 161 186 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.918 112.5 48.6 -64.7 -45.2 12.3 25.2 18.1 162 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.937 113.2 46.4 -60.3 -46.4 15.2 22.7 17.9 163 188 A A H X S+ 0 0 33 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.902 113.3 50.4 -61.7 -40.5 13.6 20.4 20.4 164 189 A T H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 109.9 49.4 -64.6 -46.3 10.2 20.6 18.6 165 190 A L H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.924 110.5 50.7 -59.9 -43.0 11.8 19.8 15.2 166 191 A R H X>S+ 0 0 70 -4,-2.4 4,-2.3 -5,-0.2 5,-0.5 0.919 109.2 51.5 -61.7 -40.8 13.6 16.8 16.7 167 192 A K H X5S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 6,-0.5 0.930 112.8 45.3 -59.3 -44.1 10.3 15.6 18.2 168 193 A L H <5S+ 0 0 1 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.894 119.6 39.2 -68.5 -41.8 8.5 15.9 14.9 169 194 A L H <5S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.791 134.0 10.5 -79.9 -30.0 11.2 14.3 12.8 170 195 A T H <5S+ 0 0 46 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.511 99.2 83.0-130.9 -12.9 12.4 11.5 15.2 171 196 A S S < - 0 0 47 -2,-0.3 4,-3.0 -119,-0.2 5,-0.3 -0.153 35.7-102.2 -61.9 163.9 4.2 7.8 12.1 176 201 A A H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 123.4 47.1 -57.3 -47.5 7.1 6.6 10.1 177 202 A R H > S+ 0 0 194 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 112.9 50.5 -66.3 -36.6 5.7 7.7 6.8 178 203 A S H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 108.7 50.8 -66.9 -40.8 4.8 11.1 8.2 179 204 A Q H X S+ 0 0 36 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.910 111.3 49.3 -61.4 -38.8 8.3 11.6 9.6 180 205 A R H X S+ 0 0 172 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.889 110.3 51.0 -67.4 -38.9 9.6 10.8 6.2 181 206 A Q H X S+ 0 0 58 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 108.7 49.9 -62.2 -44.6 7.2 13.2 4.5 182 207 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 112.2 48.8 -61.2 -46.8 8.1 16.1 6.8 183 208 A L H X S+ 0 0 59 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.929 109.4 52.1 -56.0 -49.0 11.8 15.5 6.2 184 209 A Q H X S+ 0 0 89 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.894 104.5 55.7 -61.7 -38.8 11.3 15.3 2.4 185 210 A W H < S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.931 110.1 46.3 -60.0 -39.9 9.5 18.6 2.3 186 211 A M H >< S+ 0 0 2 -4,-1.7 22,-1.8 1,-0.2 3,-1.4 0.901 109.5 54.3 -70.1 -38.1 12.5 20.3 4.0 187 212 A V H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 20,-0.3 -2,-0.2 0.886 107.2 53.7 -56.4 -37.8 14.9 18.5 1.6 188 213 A D T 3< S+ 0 0 45 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.336 73.7 143.3 -84.9 11.0 12.9 20.0 -1.2 189 214 A D < - 0 0 1 -3,-1.4 4,-0.2 19,-0.2 -86,-0.2 -0.261 27.2-174.3 -56.1 125.0 13.0 23.7 -0.1 190 215 A R S S+ 0 0 136 -87,-2.4 -1,-0.2 3,-0.2 5,-0.2 0.634 71.8 66.5 -92.8 -19.5 13.3 25.8 -3.2 191 216 A V S S- 0 0 75 -88,-0.7 4,-0.1 1,-0.1 -1,-0.1 0.952 127.7 -7.1 -73.3 -47.0 13.8 29.2 -1.5 192 217 A A S > S+ 0 0 10 16,-0.1 4,-2.9 2,-0.1 5,-0.3 0.600 111.0 87.2-125.0 -19.5 17.2 28.6 0.1 193 218 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 94.5 42.4 -52.9 -56.6 18.2 24.9 -0.4 194 219 A P H > S+ 0 0 68 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.890 114.7 51.5 -60.2 -40.3 19.8 25.2 -3.8 195 220 A L H > S+ 0 0 111 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.898 110.3 48.9 -60.6 -44.5 21.6 28.4 -2.8 196 221 A I H >X S+ 0 0 32 -4,-2.9 3,-1.6 1,-0.2 4,-1.0 0.943 109.2 52.6 -62.6 -44.2 23.0 26.7 0.3 197 222 A R H 3< S+ 0 0 105 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.857 99.9 64.3 -60.2 -32.4 24.1 23.7 -1.7 198 223 A S H 3< S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.709 113.2 32.6 -63.9 -22.8 26.0 26.0 -4.1 199 224 A V H << S+ 0 0 109 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.406 97.6 98.8-113.7 -0.5 28.3 27.1 -1.2 200 225 A L S < S- 0 0 29 -4,-1.0 3,-0.1 -3,-0.4 6,-0.0 -0.694 79.6-108.9 -84.3 144.6 28.5 23.8 0.8 201 226 A P > - 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