==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-03 1Q2P . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR M.NUKAGA,A.M.VENKATESAN,T.S.MANSOUR,A.HUJER,R.A.BONOMO, . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.8 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 . 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.7 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 2 1 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 70 0, 0.0 2,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 153.2 36.6 30.5 9.7 2 27 A P - 0 0 54 0, 0.0 259,-0.1 0, 0.0 260,-0.1 -0.268 360.0 -59.2 -86.1 179.4 36.9 30.8 13.5 3 28 A Q > - 0 0 100 1,-0.1 4,-2.6 -2,-0.1 3,-0.5 -0.226 54.5-109.5 -58.3 146.8 35.2 28.6 16.0 4 29 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.884 117.1 48.1 -43.3 -55.8 31.3 28.4 15.9 5 30 A L H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.858 113.3 47.4 -58.9 -38.5 30.8 30.4 19.1 6 31 A E H > S+ 0 0 100 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.886 110.6 51.6 -72.7 -36.0 33.2 33.1 18.1 7 32 A Q H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.924 107.8 53.1 -64.5 -43.0 31.7 33.4 14.6 8 33 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.937 110.7 46.6 -55.4 -48.8 28.3 33.8 16.2 9 34 A K H X S+ 0 0 83 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.890 109.4 54.6 -61.3 -41.4 29.6 36.6 18.4 10 35 A L H X S+ 0 0 69 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.867 104.8 54.9 -60.6 -37.1 31.3 38.2 15.4 11 36 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-0.3 0.883 107.6 48.4 -65.0 -39.2 27.9 38.2 13.6 12 37 A E H X S+ 0 0 29 -4,-1.5 4,-2.5 2,-0.2 5,-0.4 0.912 112.1 49.9 -66.7 -41.5 26.2 40.1 16.4 13 38 A S H < S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.4 40.9 -62.1 -44.2 29.1 42.7 16.5 14 39 A Q H < S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.823 122.9 38.8 -76.2 -30.3 28.9 43.2 12.7 15 40 A L H < S- 0 0 7 -4,-2.4 228,-0.4 -5,-0.2 -2,-0.2 0.703 92.2-138.8 -91.5 -21.7 25.0 43.2 12.5 16 41 A S S < S+ 0 0 97 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.677 70.4 102.8 68.1 19.5 24.3 45.1 15.7 17 42 A G S S- 0 0 11 -5,-0.4 2,-0.4 -6,-0.3 -1,-0.3 -0.700 79.7 -88.8-124.5 176.5 21.5 42.7 16.3 18 43 A R E -A 239 0A 114 221,-2.0 221,-1.9 -2,-0.2 2,-0.4 -0.732 33.6-160.7 -89.6 134.7 20.7 39.6 18.4 19 44 A V E -A 238 0A 0 -2,-0.4 2,-0.4 219,-0.2 219,-0.2 -0.928 2.0-164.7-113.1 137.4 21.6 36.1 17.1 20 45 A G E +A 237 0A 0 217,-2.9 217,-2.6 -2,-0.4 2,-0.4 -0.991 17.4 175.2-122.2 129.0 20.0 33.0 18.5 21 46 A M E +AB 236 35A 0 14,-2.8 14,-2.4 -2,-0.4 2,-0.3 -0.991 20.3 174.6-146.1 145.3 21.5 29.7 17.8 22 47 A I E -AB 235 34A 4 213,-2.1 213,-2.6 -2,-0.4 2,-0.5 -0.993 7.8-169.3-143.8 134.5 21.3 25.9 18.5 23 48 A E E +AB 234 33A 0 10,-2.0 9,-2.7 -2,-0.3 10,-1.2 -0.996 23.8 175.7-123.8 119.3 23.3 23.0 17.0 24 49 A M E -AB 233 31A 13 209,-3.2 209,-3.7 -2,-0.5 2,-0.5 -0.986 37.9-115.2-136.2 138.7 21.8 19.7 18.0 25 50 A D E > -A 232 0A 37 5,-2.5 4,-2.8 -2,-0.4 207,-0.3 -0.550 28.1-149.1 -66.8 118.7 22.4 16.0 17.3 26 51 A L T 4 S+ 0 0 21 205,-2.2 -1,-0.2 -2,-0.5 206,-0.1 0.896 90.6 46.2 -59.2 -43.6 19.2 14.9 15.5 27 52 A A T 4 S+ 0 0 81 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.878 130.0 18.3 -70.5 -38.0 19.2 11.3 16.7 28 53 A S T 4 S- 0 0 74 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.689 91.8-123.8-108.5 -22.9 19.9 12.0 20.4 29 54 A G < + 0 0 18 -4,-2.8 2,-0.3 1,-0.3 -3,-0.1 0.612 49.2 163.1 86.6 11.5 19.1 15.6 21.1 30 55 A R - 0 0 127 -5,-0.2 -5,-2.5 1,-0.1 2,-0.6 -0.499 34.7-135.3 -65.3 127.7 22.7 16.3 22.4 31 56 A T E +B 24 0A 74 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.773 31.1 169.2 -90.7 120.1 23.2 20.1 22.4 32 57 A L E + 0 0 32 -9,-2.7 2,-0.4 -2,-0.6 -1,-0.2 0.857 68.8 20.2 -94.3 -45.3 26.6 21.1 21.0 33 58 A T E +B 23 0A 14 -10,-1.2 -10,-2.0 -29,-0.0 2,-0.3 -0.991 62.4 174.3-129.6 136.2 26.3 24.9 20.6 34 59 A A E +B 22 0A 56 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.932 3.4 168.0-145.1 116.4 23.8 27.2 22.4 35 60 A W E S-B 21 0A 53 -14,-2.4 -14,-2.8 -2,-0.3 4,-0.1 -0.978 81.4 -18.6-133.2 118.4 23.8 31.0 22.2 36 61 A R S > S+ 0 0 73 -2,-0.4 3,-1.5 -16,-0.2 123,-0.1 0.878 87.2 159.0 51.8 36.6 20.8 33.0 23.5 37 62 A A T 3 + 0 0 12 1,-0.3 122,-2.5 121,-0.1 123,-0.5 0.723 68.6 43.4 -62.9 -25.2 19.1 29.6 23.2 38 63 A D T 3 S+ 0 0 135 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.243 92.3 103.8-105.7 11.7 16.3 30.6 25.6 39 64 A E S < S- 0 0 61 -3,-1.5 2,-0.3 -4,-0.1 120,-0.1 -0.684 76.6-106.2 -92.8 149.4 15.8 34.1 24.2 40 65 A R + 0 0 112 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.559 38.4 173.1 -80.0 136.9 12.7 34.8 22.0 41 66 A F E -E 156 0B 0 115,-2.6 115,-2.0 -2,-0.3 2,-0.1 -0.989 39.8-100.5-139.3 144.7 12.9 35.3 18.2 42 67 A P E -E 155 0B 5 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.454 25.3-148.9 -65.0 136.6 10.1 35.7 15.6 43 68 A M > + 0 0 4 111,-2.4 3,-1.7 101,-0.2 112,-0.1 0.856 29.1 173.4 -74.2 -36.3 9.6 32.4 13.8 44 69 A M G > - 0 0 0 110,-0.5 3,-1.6 100,-0.4 -1,-0.1 -0.316 69.3 -15.0 60.3-144.8 8.6 34.0 10.5 45 70 A S G > S+ 0 0 14 1,-0.3 3,-1.6 167,-0.2 -1,-0.3 0.591 122.1 81.8 -67.2 -10.2 8.1 31.4 7.8 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.3 4,-0.6 0.704 76.0 75.8 -68.5 -13.6 9.9 28.7 9.7 47 72 A F H <> S+ 0 0 1 -3,-1.6 4,-2.7 1,-0.3 -1,-0.3 0.758 75.8 77.7 -67.2 -22.6 6.6 28.2 11.5 48 73 A K H <> S+ 0 0 0 -3,-1.6 4,-1.9 1,-0.2 -1,-0.3 0.761 87.7 57.1 -60.4 -24.4 5.4 26.4 8.4 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.3 -4,-0.2 -1,-0.2 0.932 109.9 42.9 -71.8 -44.6 7.3 23.3 9.3 50 75 A V H X S+ 0 0 2 -4,-0.6 4,-2.2 -3,-0.3 3,-0.2 0.918 110.7 58.1 -65.4 -42.1 5.6 23.1 12.7 51 76 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.924 109.0 43.6 -51.9 -50.6 2.3 23.9 11.0 52 77 A a H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.751 106.7 60.9 -72.0 -20.0 2.6 20.8 8.7 53 78 A G H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.2 -1,-0.2 0.919 106.5 47.0 -68.9 -39.5 3.7 18.7 11.6 54 79 A A H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.865 110.4 52.6 -67.3 -36.2 0.3 19.4 13.2 55 80 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.935 108.7 49.5 -64.5 -45.8 -1.4 18.6 9.9 56 81 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.862 105.8 57.7 -61.6 -36.0 0.4 15.3 9.7 57 82 A A H X S+ 0 0 26 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.911 106.4 48.6 -61.4 -41.8 -0.7 14.6 13.3 58 83 A R H <>S+ 0 0 80 -4,-1.7 5,-2.7 2,-0.2 6,-0.7 0.890 110.6 51.3 -65.3 -37.9 -4.3 15.0 12.2 59 84 A V H ><5S+ 0 0 36 -4,-2.0 3,-1.6 4,-0.2 5,-0.3 0.945 109.1 50.1 -63.2 -47.3 -3.7 12.7 9.2 60 85 A D H 3<5S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.894 109.1 52.8 -56.4 -40.7 -2.2 10.0 11.6 61 86 A A T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.572 117.2-115.8 -72.7 -9.8 -5.2 10.4 13.8 62 87 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.646 89.8 110.2 83.4 15.0 -7.5 9.8 10.8 63 88 A D S - 0 0 116 -2,-0.3 3,-0.8 1,-0.1 29,-0.4 -0.992 18.2-142.0-142.8 134.2 -6.0 13.2 4.5 66 91 A L T 3 S+ 0 0 27 -2,-0.4 29,-2.8 1,-0.2 30,-0.5 0.734 106.4 58.8 -68.2 -18.7 -3.1 14.6 2.5 67 92 A E T 3 S+ 0 0 138 27,-0.2 -1,-0.2 26,-0.2 2,-0.1 0.723 75.2 116.5 -80.1 -23.8 -5.3 13.7 -0.5 68 93 A R < - 0 0 93 -3,-0.8 26,-1.8 25,-0.1 2,-0.4 -0.265 64.2-134.6 -53.3 118.5 -8.3 15.9 0.5 69 94 A K E -F 93 0C 100 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.627 16.1-158.4 -79.9 126.1 -8.8 18.6 -2.1 70 95 A I E -F 92 0C 26 22,-3.3 22,-2.1 -2,-0.4 2,-0.4 -0.908 2.8-157.2-106.4 127.8 -9.4 22.1 -0.7 71 96 A H + 0 0 119 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.864 19.3 172.5-104.8 137.6 -11.1 24.6 -2.9 72 97 A Y - 0 0 10 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.827 23.8-118.1-135.8 176.6 -10.5 28.2 -2.2 73 98 A R > - 0 0 160 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.796 27.8-111.7-118.5 161.1 -11.3 31.7 -3.6 74 99 A Q G > S+ 0 0 145 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.853 116.4 64.2 -57.6 -34.1 -9.2 34.6 -4.9 75 100 A Q G 3 S+ 0 0 163 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.692 94.8 60.1 -64.2 -17.8 -10.4 36.6 -1.9 76 101 A D G < S+ 0 0 65 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.622 84.1 105.3 -84.4 -12.9 -8.7 34.1 0.4 77 102 A L < - 0 0 42 -3,-1.6 2,-0.2 -4,-0.4 3,-0.1 -0.466 48.6-173.3 -74.8 137.4 -5.3 34.9 -1.1 78 103 A V - 0 0 48 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.624 47.0 -44.6-116.4 178.7 -2.7 37.0 0.8 79 104 A D S S+ 0 0 122 -2,-0.2 28,-0.2 28,-0.1 -1,-0.1 -0.185 117.2 13.3 -51.8 126.6 0.7 38.4 -0.2 80 105 A Y + 0 0 105 1,-0.1 27,-2.6 27,-0.1 28,-0.4 0.972 61.0 156.8 69.0 93.5 2.8 35.9 -2.1 81 106 A S > + 0 0 7 25,-0.2 4,-2.2 26,-0.2 5,-0.3 -0.493 3.8 165.3-140.5 61.5 1.0 32.8 -3.3 82 107 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.814 82.6 26.1 -50.4 -36.3 3.2 31.5 -6.2 83 108 A V T >4 S+ 0 0 33 2,-0.1 3,-1.8 17,-0.1 4,-0.2 0.905 120.0 51.2 -94.8 -53.9 1.5 28.1 -6.2 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 7,-0.1 0.787 100.1 63.4 -58.7 -31.5 -2.0 28.7 -4.7 85 110 A E G >< S+ 0 0 110 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.740 98.7 60.6 -66.9 -17.0 -2.8 31.6 -7.1 86 111 A K G < S+ 0 0 151 -3,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.532 100.9 51.3 -87.0 -5.5 -2.5 29.0 -9.9 87 112 A H G <> + 0 0 46 -3,-1.5 4,-2.3 -4,-0.2 -15,-0.3 -0.120 60.7 121.3-126.8 40.7 -5.3 26.7 -8.7 88 113 A L T <4 S+ 0 0 56 -3,-0.5 -1,-0.1 1,-0.2 -16,-0.1 0.785 85.4 44.4 -69.0 -27.2 -8.3 28.9 -8.1 89 114 A A T 4 S+ 0 0 98 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.839 128.3 22.1 -87.3 -33.7 -10.1 26.8 -10.6 90 115 A D T 4 S- 0 0 81 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.480 93.8-139.8-116.5 -0.9 -9.1 23.3 -9.4 91 116 A G < - 0 0 1 -4,-2.3 2,-0.3 -19,-0.1 -20,-0.2 -0.072 16.8 -98.9 72.4-177.0 -8.0 23.6 -5.8 92 117 A M E -F 70 0C 1 -22,-2.1 -22,-3.3 -4,-0.1 2,-0.1 -0.995 26.1-113.8-145.3 145.5 -5.1 21.9 -4.0 93 118 A T E > -F 69 0C 33 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.365 32.7-111.0 -75.9 160.3 -4.8 18.8 -1.8 94 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.0 -29,-0.4 -28,-0.2 0.918 122.6 51.6 -57.0 -42.2 -3.9 19.2 1.8 95 120 A G H > S+ 0 0 13 -29,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.881 108.5 50.6 -61.9 -39.6 -0.6 17.5 0.9 96 121 A E H > S+ 0 0 86 -30,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.849 106.9 54.7 -67.0 -35.4 -0.0 20.0 -1.9 97 122 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.908 108.3 48.3 -65.6 -40.7 -0.7 22.9 0.4 98 123 A a H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.917 111.3 50.4 -65.9 -40.7 2.0 21.7 2.8 99 124 A A H X>S+ 0 0 29 -4,-2.1 4,-2.7 1,-0.2 5,-0.5 0.930 113.9 45.2 -62.0 -43.5 4.5 21.3 -0.1 100 125 A A H X5S+ 0 0 3 -4,-2.4 6,-2.5 3,-0.2 4,-1.2 0.894 114.2 48.6 -67.7 -38.7 3.7 24.8 -1.3 101 126 A A H <5S+ 0 0 0 -4,-2.6 4,-0.2 4,-0.3 -2,-0.2 0.920 123.2 31.5 -67.3 -43.2 3.9 26.3 2.2 102 127 A I H <5S+ 0 0 0 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.930 127.4 35.6 -82.8 -46.9 7.2 24.6 3.1 103 128 A T H <5S+ 0 0 18 -4,-2.7 87,-2.7 -5,-0.3 88,-0.8 0.733 136.7 19.4 -81.5 -23.5 9.0 24.3 -0.3 104 129 A M S < - 0 0 0 -6,-2.5 4,-1.3 1,-0.2 -25,-0.2 -0.482 13.2-157.8 -63.7 122.2 3.3 30.1 -0.2 107 132 A N H > S+ 0 0 13 -27,-2.6 4,-2.0 -2,-0.3 34,-0.3 0.846 87.4 49.4 -76.4 -35.3 1.5 32.3 2.3 108 133 A S H > S+ 0 0 2 -28,-0.4 4,-2.5 -30,-0.3 5,-0.2 0.856 109.1 54.3 -70.9 -35.6 -2.1 31.5 1.3 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 108.8 50.1 -62.5 -41.2 -1.3 27.8 1.4 110 135 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.909 111.2 47.0 -63.7 -44.2 -0.1 28.3 5.0 111 136 A N H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.907 110.4 52.8 -64.8 -41.8 -3.2 30.2 6.0 112 137 A L H X S+ 0 0 32 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.929 114.1 42.8 -58.8 -45.1 -5.5 27.6 4.5 113 138 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.883 109.2 58.0 -66.8 -40.8 -3.6 24.9 6.5 114 139 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.8 0.875 102.8 54.8 -58.4 -38.5 -3.6 27.0 9.6 115 140 A A H ><5S+ 0 0 58 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.943 102.6 56.0 -60.4 -48.8 -7.4 27.2 9.5 116 141 A T H 3<5S+ 0 0 35 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.672 107.9 48.7 -59.1 -20.0 -7.6 23.4 9.4 117 142 A V T <<5S- 0 0 17 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.236 131.3 -87.0-105.3 13.1 -5.6 23.0 12.6 118 143 A G T <>5 - 0 0 49 -3,-2.1 4,-1.9 4,-0.1 3,-0.3 0.757 65.2 -90.0 92.0 26.7 -7.6 25.6 14.5 119 144 A G H > S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 17,-0.5 0.849 142.8 52.4 -50.3 -40.4 -2.9 30.2 15.6 121 146 A A H > S+ 0 0 78 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.898 109.1 50.7 -64.9 -40.0 -4.5 29.2 18.8 122 147 A G H X S+ 0 0 20 -4,-1.9 4,-1.8 -3,-0.4 -1,-0.2 0.864 110.6 46.8 -66.1 -38.4 -4.9 25.6 17.5 123 148 A L H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.881 111.5 52.7 -71.0 -37.2 -1.3 25.3 16.4 124 149 A T H X S+ 0 0 25 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.909 107.5 51.5 -63.3 -40.7 -0.2 26.7 19.7 125 150 A A H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.914 108.0 52.8 -61.9 -41.3 -2.3 24.1 21.5 126 151 A F H X S+ 0 0 22 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.906 106.8 52.1 -59.7 -43.6 -0.6 21.4 19.4 127 152 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 3,-0.6 0.937 109.0 49.9 -58.7 -45.6 2.8 22.7 20.4 128 153 A R H ><5S+ 0 0 88 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.872 105.2 59.4 -61.6 -35.4 1.7 22.4 24.1 129 154 A Q H 3<5S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.0 46.7 -63.6 -31.6 0.6 18.9 23.4 130 155 A I T <<5S- 0 0 10 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.226 127.4 -96.1 -95.6 14.7 4.0 17.8 22.3 131 156 A G T < 5S+ 0 0 39 -3,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.621 82.0 132.1 86.3 12.5 5.7 19.4 25.3 132 157 A D < + 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.865 21.2 169.0 -98.4 104.4 6.7 22.8 23.8 133 158 A N S S+ 0 0 120 -2,-0.9 -1,-0.1 -3,-0.1 -5,-0.1 0.247 70.3 51.0 -99.2 13.7 5.5 25.3 26.4 134 159 A V S S+ 0 0 51 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.787 82.5 83.8-114.3 -51.7 7.4 28.2 24.8 135 160 A T + 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.286 55.8 178.7 -59.3 140.0 6.7 28.5 21.1 136 161 A R - 0 0 70 19,-2.5 2,-0.5 16,-0.1 19,-0.4 -0.991 23.0-159.2-149.1 137.3 3.5 30.4 20.2 137 162 A L + 0 0 3 -17,-0.5 -13,-0.3 -2,-0.3 -14,-0.1 -0.966 20.5 161.6-114.2 131.7 1.7 31.5 17.0 138 163 A D + 0 0 59 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.642 57.1 37.1-120.7 -27.5 -0.7 34.3 17.4 139 164 A R - 0 0 29 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.668 69.9-116.8-124.8 177.1 -1.3 35.7 13.9 140 165 A W > - 0 0 99 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.502 56.0 -38.5-105.2 175.7 -1.7 34.6 10.3 141 166 A E T 4 S+ 0 0 2 1,-0.3 -1,-0.1 -34,-0.3 -62,-0.0 -0.594 119.9 8.4 -75.2 141.2 0.4 35.4 7.2 142 167 A T T >4 S+ 0 0 42 -2,-0.2 3,-1.6 -64,-0.1 -1,-0.3 -0.979 121.0 59.5-106.5 10.7 1.6 37.9 6.6 143 168 A E G >4 S+ 0 0 113 -3,-0.3 3,-1.8 1,-0.3 -2,-0.2 0.767 90.9 75.3 -62.1 -26.9 1.1 39.8 9.9 144 169 A L G 3< S+ 0 0 2 -4,-2.1 -100,-0.4 1,-0.3 3,-0.4 0.613 86.9 63.6 -63.2 -10.1 3.0 37.2 11.9 145 170 A N G < + 0 0 23 -3,-1.6 69,-1.9 -5,-0.2 -1,-0.3 0.366 66.7 108.7 -95.0 4.4 6.3 38.6 10.4 146 171 A E < - 0 0 63 -3,-1.8 -1,-0.2 67,-0.2 -2,-0.1 0.747 56.8-164.0 -54.3 -30.5 6.0 42.1 12.0 147 172 A A - 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0 0 46 -2,-0.3 4,-2.6 -119,-0.2 5,-0.2 -0.140 36.9-105.0 -63.2 166.6 3.8 7.9 12.2 176 201 A A H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 122.8 49.1 -61.0 -44.4 6.9 6.7 10.3 177 202 A R H > S+ 0 0 194 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 111.9 48.9 -63.3 -39.3 5.3 7.7 7.0 178 203 A S H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.899 109.3 51.3 -68.1 -40.6 4.5 11.2 8.3 179 204 A Q H X S+ 0 0 29 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.927 111.9 48.0 -61.4 -43.3 8.0 11.7 9.8 180 205 A R H X S+ 0 0 176 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.856 111.3 51.5 -64.2 -36.3 9.5 10.8 6.4 181 206 A Q H X S+ 0 0 57 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.928 108.6 48.6 -66.8 -48.0 7.0 13.1 4.7 182 207 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.913 112.4 51.1 -59.7 -41.0 7.9 16.1 6.9 183 208 A L H X S+ 0 0 57 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.930 107.9 51.2 -61.8 -45.7 11.6 15.4 6.2 184 209 A Q H X S+ 0 0 87 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 104.5 57.2 -62.8 -36.4 11.1 15.3 2.5 185 210 A W H < S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.913 109.4 45.4 -61.5 -40.6 9.3 18.6 2.4 186 211 A M H >< S+ 0 0 1 -4,-1.5 22,-2.1 1,-0.2 3,-1.3 0.878 110.4 54.1 -69.4 -36.0 12.3 20.3 4.1 187 212 A V H 3< S+ 0 0 33 -4,-2.1 -2,-0.2 20,-0.3 -1,-0.2 0.866 107.3 53.6 -63.2 -35.6 14.6 18.4 1.6 188 213 A D T 3< S+ 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.290 72.3 142.9 -85.8 11.7 12.6 19.9 -1.2 189 214 A D < - 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