==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-96 1KGF . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.C.H.CHEN,L.E.ZAWADZKE,O.HERZBERG . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 69.6 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 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.1 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 1 0 0 0 1 0 3 2 2 0 0 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 . 0 1 1 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 31 A K 0 0 138 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 123.6 30.7 -13.0 -22.6 2 32 A E > - 0 0 110 1,-0.1 4,-0.7 4,-0.0 250,-0.1 -0.510 360.0-139.2 -81.3 146.6 30.4 -16.1 -20.4 3 33 A L H > S+ 0 0 15 2,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.815 104.4 58.5 -72.5 -34.7 27.2 -16.7 -18.4 4 34 A N H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.965 106.5 50.0 -58.3 -43.8 29.2 -18.0 -15.4 5 35 A D H > S+ 0 0 83 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.752 107.0 54.6 -61.6 -33.0 31.0 -14.6 -15.4 6 36 A L H X S+ 0 0 1 -4,-0.7 4,-1.2 2,-0.2 -1,-0.3 0.868 105.1 52.5 -73.8 -32.7 27.6 -12.9 -15.5 7 37 A E H X>S+ 0 0 33 -4,-1.9 5,-2.0 -3,-0.4 4,-1.0 0.889 112.6 45.7 -65.6 -39.0 26.4 -14.8 -12.4 8 38 A K H <5S+ 0 0 161 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.2 54.7 -71.4 -38.7 29.5 -13.7 -10.5 9 39 A K H <5S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 122.4 26.7 -66.2 -33.0 29.3 -10.1 -11.6 10 40 A Y H <5S- 0 0 36 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.409 102.8-123.8-108.1 -6.6 25.8 -9.7 -10.4 11 41 A N T <5S+ 0 0 101 -4,-1.0 224,-0.4 1,-0.2 2,-0.2 0.942 70.4 123.9 58.6 54.9 25.9 -12.2 -7.7 12 42 A A < - 0 0 9 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.2 -0.757 64.3-114.4-140.9 171.4 22.9 -14.0 -9.2 13 43 A H E -A 233 0A 50 220,-2.4 220,-1.7 -2,-0.2 2,-0.4 -0.968 30.1-162.2-112.2 129.9 21.6 -17.3 -10.6 14 44 A I E -A 232 0A 0 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.924 9.7-172.7-117.8 138.3 20.8 -17.4 -14.3 15 45 A G E -A 231 0A 0 216,-2.2 216,-2.4 -2,-0.4 2,-0.3 -0.988 15.3-179.9-132.3 123.9 18.6 -20.0 -16.1 16 46 A V E +AB 230 29A 0 13,-3.2 13,-1.7 -2,-0.4 2,-0.3 -0.922 18.2 169.3-134.0 141.9 18.5 -19.9 -19.9 17 47 A Y E +AB 229 28A 3 212,-1.3 212,-3.2 -2,-0.3 2,-0.4 -0.897 10.1 173.3-149.6 123.0 16.8 -21.8 -22.8 18 48 A A E -AB 228 27A 0 9,-1.8 9,-1.9 -2,-0.3 2,-0.4 -0.997 7.1-172.3-134.0 134.2 16.8 -20.6 -26.4 19 49 A L E -AB 227 26A 19 208,-2.3 208,-3.2 -2,-0.4 2,-0.9 -0.990 18.5-146.0-133.6 120.3 15.5 -22.5 -29.4 20 50 A D E > -A 226 0A 18 5,-2.3 4,-2.7 -2,-0.4 5,-0.4 -0.822 13.2-157.3 -81.1 108.4 16.0 -21.4 -33.0 21 51 A T T 4 S+ 0 0 44 204,-2.3 -1,-0.1 -2,-0.9 205,-0.1 0.649 86.3 56.5 -65.6 -13.9 12.7 -22.7 -34.5 22 52 A K T 4 S+ 0 0 131 203,-0.2 -1,-0.2 202,-0.1 204,-0.1 0.944 125.3 15.1 -79.9 -50.6 14.3 -22.7 -38.1 23 53 A S T 4 S- 0 0 80 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.628 94.8-126.6 -93.9 -27.4 17.3 -24.9 -37.5 24 54 A G < + 0 0 43 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.650 54.2 155.2 83.0 12.4 16.3 -26.4 -34.1 25 55 A K - 0 0 94 -5,-0.4 -5,-2.3 -6,-0.0 2,-0.3 -0.606 26.0-156.8 -72.9 138.8 19.6 -25.3 -32.6 26 56 A E E -B 19 0A 87 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.887 17.5-161.8-121.5 149.8 19.4 -24.9 -28.7 27 57 A V E -B 18 0A 25 -9,-1.9 -9,-1.8 -2,-0.3 2,-0.3 -0.993 21.0-178.5-125.9 125.3 21.4 -22.9 -26.1 28 59 A K E +B 17 0A 99 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.975 17.3 166.8-128.2 144.5 21.0 -24.1 -22.4 29 60 A F E S-B 16 0A 31 -13,-1.7 -13,-3.2 -2,-0.3 -2,-0.0 -0.811 86.8 -18.8-156.9 113.6 22.4 -22.8 -19.0 30 61 A N S > S+ 0 0 65 -2,-0.3 3,-1.2 -15,-0.2 121,-0.1 0.848 89.0 155.3 50.2 39.0 20.8 -24.1 -15.7 31 62 A S T 3 + 0 0 9 1,-0.3 120,-2.6 118,-0.1 121,-0.4 0.468 66.0 47.4 -77.6 -3.3 17.9 -25.0 -18.1 32 63 A D T 3 S+ 0 0 129 118,-0.2 2,-0.3 117,-0.1 -1,-0.3 0.237 88.0 105.1-117.5 8.7 16.6 -27.8 -15.8 33 64 A K S < S- 0 0 73 -3,-1.2 2,-0.3 1,-0.0 118,-0.1 -0.715 72.9-118.3 -91.4 139.8 16.8 -25.7 -12.5 34 65 A R + 0 0 73 -2,-0.3 2,-0.3 115,-0.2 115,-0.2 -0.660 36.3 169.4 -84.7 140.1 13.4 -24.5 -11.1 35 66 A F E -E 148 0B 1 113,-2.3 113,-1.9 -2,-0.3 2,-0.4 -0.867 44.5 -94.7-140.7 156.9 12.6 -20.8 -10.7 36 67 A A E -E 147 0B 3 -2,-0.3 111,-0.2 111,-0.2 169,-0.2 -0.713 31.0-158.8 -75.6 129.0 9.4 -18.9 -9.9 37 68 A Y > + 0 0 8 109,-1.5 3,-1.8 -2,-0.4 4,-0.2 0.769 23.8 172.9 -83.4 -17.9 7.8 -17.9 -13.3 38 69 A A G > - 0 0 1 108,-0.6 3,-1.6 98,-0.3 -1,-0.2 -0.189 64.8 -4.8 45.5-136.7 5.7 -15.1 -11.9 39 70 A S G > S+ 0 0 11 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.522 114.0 83.1 -66.4 -5.3 3.9 -13.0 -14.5 40 71 A T G X> S+ 0 0 0 -3,-1.8 3,-0.9 1,-0.3 4,-0.8 0.703 80.7 69.9 -71.6 -12.7 5.5 -14.6 -17.6 41 72 A S H <> S+ 0 0 9 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.656 77.3 78.6 -75.5 -16.9 2.7 -17.2 -17.1 42 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.916 92.5 52.1 -54.9 -36.6 0.2 -14.6 -18.2 43 74 A A H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.4 -1,-0.2 0.893 107.8 50.9 -66.3 -39.6 1.4 -15.4 -21.8 44 75 A I H X S+ 0 0 5 -4,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.924 111.9 46.2 -66.6 -38.8 0.8 -19.1 -21.2 45 76 A N H X S+ 0 0 11 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.867 110.4 52.3 -73.0 -39.2 -2.8 -18.6 -20.0 46 77 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.956 111.0 48.9 -60.9 -40.6 -3.7 -16.1 -22.8 47 78 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.863 107.5 53.5 -63.3 -47.5 -2.5 -18.6 -25.4 48 79 A I H >< S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.870 111.2 47.0 -60.1 -37.1 -4.5 -21.5 -23.8 49 80 A L H >< S+ 0 0 2 -4,-1.7 3,-1.5 1,-0.2 4,-0.2 0.913 105.8 57.5 -71.1 -44.1 -7.7 -19.5 -24.0 50 81 A L H 3< S+ 0 0 4 -4,-2.2 3,-0.4 1,-0.3 117,-0.3 0.656 96.6 66.4 -59.8 -16.3 -7.1 -18.3 -27.6 51 82 A E T << S+ 0 0 47 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.714 109.6 36.4 -75.7 -25.4 -7.0 -22.1 -28.6 52 83 A Q S < S+ 0 0 104 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.244 112.4 60.0-114.0 11.8 -10.6 -22.5 -27.7 53 84 A V S S- 0 0 19 -3,-0.4 -1,-0.2 -4,-0.2 5,-0.1 -0.906 76.6-135.7-142.5 110.9 -12.1 -19.2 -28.7 54 87 A P > - 0 0 54 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.260 28.6-108.9 -62.8 153.0 -11.9 -18.0 -32.4 55 88 A Y G > S+ 0 0 98 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.884 118.2 57.4 -46.8 -46.4 -10.9 -14.4 -33.2 56 89 A N G 3 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.583 104.1 53.9 -63.6 -17.1 -14.5 -13.5 -34.2 57 90 A K G X S+ 0 0 116 -3,-2.3 3,-1.2 1,-0.1 -1,-0.3 0.281 74.8 97.8-103.1 16.0 -15.8 -14.6 -30.8 58 91 A L T < + 0 0 4 -3,-1.9 29,-2.0 1,-0.2 28,-0.4 0.540 69.2 75.9 -79.4 -4.6 -13.5 -12.4 -28.6 59 92 A N T 3 + 0 0 114 -3,-0.3 -1,-0.2 27,-0.2 -2,-0.1 0.641 69.0 115.7 -77.9 -16.8 -16.4 -9.9 -28.3 60 93 A K < - 0 0 107 -3,-1.2 26,-2.2 25,-0.1 27,-0.3 -0.226 61.0-134.5 -57.0 140.8 -18.1 -12.3 -25.9 61 94 A K E -F 85 0C 138 24,-0.2 2,-0.3 25,-0.1 24,-0.2 -0.683 18.0-163.6-108.9 151.0 -18.5 -10.7 -22.4 62 95 A V E -F 84 0C 13 22,-2.1 22,-2.5 -2,-0.2 2,-0.3 -0.983 25.7-119.1-130.7 144.6 -18.0 -11.8 -18.8 63 96 A H E -F 83 0C 88 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.628 22.9-154.6 -85.3 140.0 -19.3 -10.1 -15.6 64 97 A I + 0 0 0 18,-3.1 17,-2.6 15,-0.4 18,-0.5 -0.936 14.6 179.6-118.4 126.3 -16.9 -8.7 -13.0 65 98 A N >> - 0 0 64 -2,-0.5 3,-2.4 15,-0.2 4,-0.6 -0.755 45.1 -93.1-120.8 173.1 -17.7 -8.3 -9.4 66 99 A K G >4 S+ 0 0 165 1,-0.3 3,-0.6 -2,-0.3 14,-0.1 0.752 119.6 62.1 -43.5 -40.7 -16.1 -7.1 -6.2 67 100 A D G 34 S+ 0 0 143 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.581 96.3 59.6 -67.9 -14.9 -15.0 -10.6 -5.3 68 101 A D G <4 S+ 0 0 45 -3,-2.4 -1,-0.2 2,-0.0 -2,-0.2 0.734 80.1 104.2 -85.7 -25.1 -12.9 -10.9 -8.4 69 102 A I << + 0 0 54 -3,-0.6 2,-0.2 -4,-0.6 3,-0.0 -0.394 43.2 172.5 -67.8 124.6 -10.6 -8.1 -7.6 70 103 A V - 0 0 43 -2,-0.2 30,-0.3 1,-0.1 3,-0.2 -0.680 46.8 -64.6-119.7 171.9 -7.0 -8.9 -6.3 71 104 A A S S+ 0 0 59 -2,-0.2 28,-0.2 1,-0.2 -1,-0.1 -0.328 112.8 24.5 -56.9 149.8 -4.1 -6.5 -5.7 72 105 A Y + 0 0 162 1,-0.1 27,-2.1 27,-0.1 -1,-0.2 0.970 69.2 142.4 56.3 67.1 -2.6 -4.7 -8.7 73 106 A S > + 0 0 3 25,-0.2 4,-1.9 -3,-0.2 5,-0.2 -0.693 16.5 171.2-131.3 72.5 -5.5 -4.6 -11.2 74 107 A P T 4 S+ 0 0 37 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.846 81.0 28.0 -59.2 -30.3 -5.0 -1.2 -12.8 75 108 A I T >4 S+ 0 0 47 2,-0.1 3,-0.9 -3,-0.1 4,-0.2 0.865 117.6 55.6 -94.7 -48.2 -7.7 -1.9 -15.6 76 109 A L G >4 S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.779 93.2 68.8 -63.4 -19.4 -10.0 -4.4 -13.9 77 110 A E G >< S+ 0 0 103 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.852 93.0 59.9 -69.5 -32.4 -10.7 -2.2 -10.9 78 111 A K G < S+ 0 0 138 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.588 99.5 61.8 -66.8 -8.3 -12.7 0.2 -13.2 79 112 A Y G X + 0 0 68 -3,-1.7 3,-2.7 -4,-0.2 -15,-0.4 0.186 62.7 137.3-105.1 10.2 -15.0 -2.8 -14.1 80 113 A V T < S+ 0 0 61 -3,-1.0 -15,-0.2 1,-0.3 3,-0.1 -0.433 85.3 10.7 -61.1 125.0 -16.6 -3.8 -10.7 81 114 A G T 3 S+ 0 0 52 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.502 118.1 96.7 81.3 6.3 -20.3 -4.4 -11.4 82 115 A K S < S- 0 0 116 -3,-2.7 -18,-3.1 -18,-0.5 2,-0.3 -0.550 70.6-112.9-119.9-179.1 -19.7 -4.3 -15.2 83 116 A D E -F 63 0C 85 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.863 26.3-169.1-116.4 147.1 -19.1 -6.6 -18.2 84 117 A I E -F 62 0C 5 -22,-2.5 -22,-2.1 -2,-0.3 2,-0.2 -0.972 23.2-115.2-136.1 146.8 -15.9 -6.9 -20.2 85 118 A T E > -F 61 0C 37 -2,-0.3 4,-1.8 -24,-0.2 -24,-0.2 -0.537 24.1-122.0 -76.8 158.8 -15.0 -8.6 -23.4 86 119 A L H > S+ 0 0 1 -26,-2.2 4,-2.2 -28,-0.4 5,-0.2 0.803 114.6 59.8 -63.2 -33.4 -12.5 -11.6 -23.4 87 120 A K H > S+ 0 0 70 -29,-2.0 4,-1.7 -27,-0.3 -1,-0.2 0.911 106.8 44.2 -61.6 -48.0 -10.5 -9.4 -25.9 88 121 A A H > S+ 0 0 21 -30,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.811 109.5 58.5 -66.5 -31.2 -10.1 -6.6 -23.4 89 122 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.952 108.4 44.2 -62.4 -53.2 -9.3 -9.2 -20.6 90 123 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.892 113.1 52.0 -59.9 -39.3 -6.3 -10.5 -22.6 91 124 A E H X>S+ 0 0 71 -4,-1.7 4,-2.5 2,-0.2 5,-0.6 0.915 110.3 48.2 -62.7 -43.9 -5.1 -6.9 -23.4 92 125 A A H X5S+ 0 0 4 -4,-2.5 6,-2.1 1,-0.2 4,-1.2 0.910 114.3 45.7 -63.5 -42.1 -5.3 -5.9 -19.8 93 126 A S H <5S+ 0 0 0 -4,-2.2 4,-0.5 4,-0.3 -2,-0.2 0.943 120.6 38.2 -66.1 -47.2 -3.3 -9.0 -18.6 94 127 A M H <5S+ 0 0 3 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.892 126.6 31.1 -75.5 -42.6 -0.6 -8.7 -21.3 95 128 A T H <5S+ 0 0 43 -4,-2.5 88,-0.2 -5,-0.3 87,-0.2 0.862 135.1 24.5 -85.5 -39.8 -0.1 -5.0 -21.6 96 129 A Y S < - 0 0 0 -6,-2.1 4,-1.7 1,-0.2 -25,-0.2 -0.501 16.0-157.5 -76.6 119.1 -3.5 -6.9 -14.7 99 132 A N H > S+ 0 0 10 -27,-2.1 4,-1.7 -2,-0.4 34,-0.2 0.921 91.5 49.3 -66.4 -40.1 -3.8 -9.5 -11.9 100 133 A T H > S+ 0 0 1 -30,-0.3 4,-2.2 2,-0.2 5,-0.3 0.941 107.2 56.3 -66.0 -38.0 -7.6 -9.7 -11.9 101 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 108.2 49.9 -62.1 -37.2 -7.6 -10.1 -15.8 102 135 A N H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.878 108.6 49.1 -70.6 -36.7 -5.3 -13.1 -15.4 103 136 A N H X S+ 0 0 18 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.882 111.9 49.8 -68.2 -40.9 -7.4 -14.9 -12.7 104 137 A K H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.873 108.6 52.9 -62.8 -40.7 -10.6 -14.4 -14.8 105 138 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.946 109.0 49.3 -60.0 -47.3 -8.8 -15.9 -17.9 106 139 A I H X>S+ 0 0 6 -4,-2.2 5,-3.1 1,-0.2 4,-1.0 0.870 110.4 51.5 -60.7 -36.3 -7.8 -18.9 -15.8 107 140 A K H <5S+ 0 0 113 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.896 106.6 53.9 -66.8 -40.1 -11.4 -19.3 -14.7 108 141 A E H <5S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.2 51.5 -62.9 -36.8 -12.6 -19.1 -18.3 109 142 A I H <5S- 0 0 10 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.754 132.9 -95.4 -70.8 -25.3 -10.4 -21.9 -19.2 110 143 A G T <5 - 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0 0 8 -2,-0.2 4,-2.3 -115,-0.2 5,-0.3 -0.815 31.0-114.1-114.3 151.2 12.5 -24.8 -15.5 150 183 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -118,-0.2 0.900 116.6 48.8 -53.4 -35.7 13.8 -22.7 -18.5 151 184 A A H > S+ 0 0 2 -120,-2.6 4,-2.3 2,-0.2 5,-0.2 0.939 113.4 43.4 -68.9 -50.8 13.7 -25.8 -20.8 152 185 A A H > S+ 0 0 12 -121,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.894 116.5 46.8 -60.7 -46.6 10.1 -27.0 -19.9 153 186 A F H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.853 113.9 49.0 -62.6 -42.0 8.6 -23.5 -20.1 154 187 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.879 109.0 50.6 -67.6 -38.7 10.4 -22.8 -23.4 155 188 A K H X S+ 0 0 82 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.866 111.6 50.1 -69.3 -29.4 9.3 -26.0 -25.1 156 189 A T H X S+ 0 0 3 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.902 108.8 50.2 -73.8 -44.8 5.7 -25.2 -24.0 157 190 A L H X>S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.9 0.884 111.8 50.3 -60.9 -36.3 5.8 -21.7 -25.4 158 191 A N H X>S+ 0 0 30 -4,-2.0 5,-2.9 3,-0.2 4,-0.7 0.946 114.0 43.8 -66.3 -46.4 7.1 -23.2 -28.7 159 192 A K H <5S+ 0 0 89 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.898 118.3 42.1 -66.7 -43.4 4.3 -25.7 -28.9 160 193 A L H <>S+ 0 0 0 -4,-2.9 5,-0.6 4,-0.2 6,-0.5 0.911 132.8 12.8 -69.6 -45.9 1.5 -23.4 -27.9 161 194 A I H <5S+ 0 0 2 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.813 129.7 34.8-104.0 -42.5 2.5 -20.3 -29.9 162 195 A A T < - 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0 0 6 30,-0.7 2,-0.9 28,-0.4 -1,-0.2 0.831 67.6-175.6 53.9 36.9 14.8 -10.9 -6.6 210 243 A S < + 0 0 1 -3,-1.3 -5,-1.6 23,-0.1 2,-0.4 -0.584 10.4 166.7 -69.5 101.3 12.9 -13.2 -9.0 211 244 A R E +CD 204 232A 24 21,-1.2 21,-0.9 -2,-0.9 2,-0.3 -0.988 5.9 169.2-126.9 119.7 13.2 -11.2 -12.3 212 245 A N E -CD 203 231A 0 -9,-2.5 -9,-2.3 -2,-0.4 2,-0.3 -0.894 18.4-172.8-132.3 158.1 12.3 -13.0 -15.6 213 246 A D E -CD 202 230A 0 17,-1.9 17,-2.8 -2,-0.3 2,-0.4 -0.974 4.4-169.2-150.2 136.1 11.6 -12.3 -19.3 214 247 A V E +CD 201 229A 0 -13,-1.1 -13,-2.0 -2,-0.3 2,-0.3 -0.996 19.9 171.9-128.7 136.1 10.3 -14.6 -22.1 215 248 A A E -CD 200 228A 0 13,-2.5 13,-2.8 -2,-0.4 2,-0.6 -0.979 41.2-135.4-147.6 162.2 10.4 -13.7 -25.8 216 249 A F E -CD 199 227A 1 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.4 -0.989 37.4-159.1-110.9 113.9 9.9 -14.5 -29.5 217 250 A V E -CD 198 226A 0 9,-3.1 9,-2.3 -2,-0.6 -19,-0.2 -0.900 10.7-163.0-107.0 126.3 13.0 -12.9 -31.2 218 251 A Y E -C 197 0A 29 -21,-2.8 -21,-2.3 -2,-0.4 3,-0.1 -0.916 11.5-152.0-109.8 101.1 13.0 -12.1 -35.0 219 252 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -23,-0.1 -0.411 42.3 -85.5 -66.8 147.8 16.6 -11.6 -36.3 220 253 A K S S+ 0 0 154 1,-0.2 -24,-0.1 -2,-0.1 3,-0.1 -0.401 117.1 20.6 -57.9 122.6 16.7 -9.2 -39.3 221 254 A G S S+ 0 0 74 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.982 100.1 90.2 77.2 73.5 16.0 -11.5 -42.2 222 255 A Q - 0 0 49 -4,-0.1 -1,-0.2 -3,-0.0 -200,-0.0 -0.566 50.2-160.8 172.7 124.2 14.3 -14.7 -40.8 223 256 A S S S+ 0 0 103 -2,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.678 73.5 81.6 -92.9 -14.6 10.6 -15.0 -40.5 224 257 A E S S- 0 0 65 1,-0.1 -202,-0.1 -5,-0.0 2,-0.1 -0.693 80.6-124.5 -89.3 138.1 10.9 -17.9 -38.0 225 258 A P - 0 0 15 0, 0.0 -204,-2.3 0, 0.0 2,-0.5 -0.389 1.9-132.3 -84.3 159.4 11.5 -17.0 -34.4 226 259 A I E -AD 20 217A 1 -9,-2.3 -9,-3.1 -206,-0.2 2,-0.5 -0.949 27.0-140.5-101.6 120.9 14.1 -17.8 -31.8 227 260 A V E -AD 19 216A 0 -208,-3.2 -208,-2.3 -2,-0.5 2,-0.4 -0.827 22.4-168.7 -81.8 130.6 12.2 -18.7 -28.5 228 261 A L E -AD 18 215A 0 -13,-2.8 -13,-2.5 -2,-0.5 2,-0.5 -0.969 12.0-176.7-128.7 112.3 14.1 -17.1 -25.5 229 262 A V E +AD 17 214A 0 -212,-3.2 -212,-1.3 -2,-0.4 2,-0.5 -0.958 4.3 178.6-105.9 116.7 13.4 -17.9 -21.8 230 263 A I E +AD 16 213A 0 -17,-2.8 -17,-1.9 -2,-0.5 2,-0.4 -0.934 3.3 172.7-121.8 109.6 15.5 -16.0 -19.1 231 264 A F E +AD 15 212A 0 -216,-2.4 -216,-2.2 -2,-0.5 2,-0.3 -0.934 9.1 172.8-113.1 133.0 14.8 -16.8 -15.3 232 265 A T E +AD 14 211A 6 -21,-0.9 -21,-1.2 -2,-0.4 2,-0.3 -0.959 5.8 167.2-138.6 151.0 17.1 -15.2 -12.6 233 266 A N E -A 13 0A 12 -220,-1.7 -220,-2.4 -2,-0.3 -24,-0.2 -0.977 21.1-132.9-155.6 168.5 17.1 -15.0 -8.8 234 267 A K - 0 0 49 -26,-2.5 -222,-0.1 -2,-0.3 -223,-0.1 -0.632 28.6-108.8-115.6 176.5 19.4 -14.1 -5.8 235 268 A D S S+ 0 0 98 -224,-0.4 2,-0.4 -2,-0.2 -223,-0.1 0.811 90.3 67.1 -82.0 -28.9 20.1 -15.7 -2.4 236 269 A N S > S- 0 0 95 1,-0.1 3,-2.6 -28,-0.0 -2,-0.1 -0.842 77.7-127.9-102.8 142.8 18.3 -13.5 0.1 237 270 A K T 3 S+ 0 0 140 -2,-0.4 -29,-1.8 1,-0.3 -28,-0.4 0.701 108.0 42.4 -51.3 -37.2 14.7 -13.1 0.4 238 271 A S T 3 S+ 0 0 106 -31,-0.2 -1,-0.3 -30,-0.2 -31,-0.0 0.351 79.8 134.1-101.4 6.9 14.8 -9.4 0.3 239 272 A D < - 0 0 36 -3,-2.6 -30,-0.7 1,-0.1 -29,-0.1 -0.170 50.3-135.9 -53.4 142.1 17.4 -8.9 -2.6 240 273 A K - 0 0 176 -32,-0.1 2,-0.1 -31,-0.1 -1,-0.1 -0.853 23.7-124.8-101.8 137.5 16.4 -6.3 -5.2 241 274 A P - 0 0 39 0, 0.0 2,-0.5 0, 0.0 -31,-0.1 -0.435 8.0-137.8 -83.4 158.1 17.1 -7.4 -8.8 242 275 A N > - 0 0 91 -33,-0.2 3,-1.3 -2,-0.1 4,-0.4 -0.981 4.7-156.0-116.5 116.3 19.1 -5.6 -11.5 243 276 A D T >> S+ 0 0 41 -2,-0.5 4,-1.7 1,-0.3 3,-1.6 0.786 85.7 73.6 -63.8 -31.4 17.6 -5.6 -15.0 244 277 A K H 3> S+ 0 0 89 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.798 86.2 68.1 -53.9 -27.5 20.9 -5.1 -16.8 245 278 A L H <> S+ 0 0 6 -3,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.863 103.3 42.1 -58.3 -43.2 21.7 -8.7 -16.0 246 279 A I H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.4 -2,-0.2 0.900 112.2 53.1 -73.5 -42.2 18.9 -9.9 -18.3 247 280 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 -61,-0.4 -2,-0.2 0.956 114.5 44.3 -54.7 -45.1 19.8 -7.4 -21.0 248 281 A E H X S+ 0 0 27 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.810 109.5 53.5 -70.5 -35.8 23.4 -8.7 -20.8 249 282 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.884 110.4 49.5 -63.7 -41.4 22.4 -12.4 -20.8 250 283 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 110.0 49.0 -64.5 -47.6 20.3 -11.7 -24.0 251 284 A K H X S+ 0 0 95 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.945 114.4 47.6 -57.2 -43.0 23.2 -10.0 -25.8 252 285 A S H >< S+ 0 0 12 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.939 113.3 45.6 -66.2 -47.9 25.5 -12.9 -24.8 253 286 A V H >< S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.799 104.4 61.6 -66.1 -34.7 23.1 -15.7 -25.9 254 287 A M H >< S+ 0 0 8 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.728 88.0 74.6 -64.9 -22.1 22.2 -14.0 -29.3 255 288 A K T << S+ 0 0 133 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.640 87.5 62.6 -63.1 -16.9 25.9 -14.4 -30.2 256 289 A E T < 0 0 92 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.476 360.0 360.0 -85.6 -11.6 25.2 -18.1 -30.7 257 290 A F < 0 0 79 -3,-1.7 -2,-0.2 -4,-0.1 -3,-0.1 0.787 360.0 360.0-108.9 360.0 22.8 -17.5 -33.5