==== 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 1KGE . 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) . 11431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 71.6 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 2 4 0 1 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 0 115 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-142.5 30.1 -12.6 -22.3 2 32 A E > - 0 0 88 1,-0.1 4,-1.4 0, 0.0 5,-0.1 -0.978 360.0-140.8-141.5 131.8 30.0 -15.8 -20.2 3 33 A L H > S+ 0 0 15 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.884 104.2 55.2 -64.2 -41.7 27.0 -16.6 -18.1 4 34 A N H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 109.4 50.0 -55.3 -44.3 29.1 -18.0 -15.2 5 35 A D H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.813 107.8 51.3 -63.5 -35.2 30.8 -14.6 -15.2 6 36 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.819 106.6 54.5 -74.7 -28.5 27.5 -12.7 -15.2 7 37 A E H X>S+ 0 0 38 -4,-2.1 4,-2.1 2,-0.2 5,-1.3 0.968 112.5 44.7 -64.5 -46.1 26.4 -14.7 -12.2 8 38 A K H <5S+ 0 0 171 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 113.4 49.7 -61.5 -47.3 29.7 -13.6 -10.5 9 39 A K H <5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 124.4 28.3 -62.7 -37.9 29.3 -10.1 -11.6 10 40 A Y H <5S- 0 0 28 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.523 98.6-129.5-101.5 -6.3 25.7 -9.8 -10.4 11 41 A N T <5 + 0 0 102 -4,-2.1 224,-0.4 1,-0.2 2,-0.3 0.970 69.5 115.3 55.0 58.2 25.8 -12.3 -7.6 12 42 A A < - 0 0 8 -5,-1.3 2,-0.4 -6,-0.2 -1,-0.2 -0.871 68.1-105.7-148.9 173.4 22.7 -14.0 -8.9 13 43 A H E -A 233 0A 49 220,-2.8 220,-1.4 -2,-0.3 2,-0.4 -0.897 30.2-159.5-110.7 136.0 21.5 -17.2 -10.4 14 44 A I E -A 232 0A 0 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.951 10.8-172.7-124.7 135.2 20.7 -17.4 -14.1 15 45 A G E +A 231 0A 0 216,-2.1 216,-2.5 -2,-0.4 2,-0.4 -0.997 16.6 178.9-123.8 122.0 18.5 -19.9 -15.9 16 46 A V E +AB 230 29A 0 13,-3.4 13,-2.1 -2,-0.4 2,-0.3 -0.977 16.7 169.3-134.6 136.9 18.5 -19.8 -19.7 17 47 A Y E +AB 229 28A 3 212,-1.6 212,-3.6 -2,-0.4 2,-0.4 -0.955 10.1 172.7-142.7 124.8 16.8 -21.7 -22.5 18 48 A A E -AB 228 27A 0 9,-1.7 9,-2.0 -2,-0.3 2,-0.4 -0.998 5.9-176.7-135.4 135.7 16.9 -20.5 -26.1 19 49 A L E -AB 227 26A 15 208,-2.3 208,-3.1 -2,-0.4 2,-0.8 -0.986 20.6-147.1-139.6 120.6 15.7 -22.3 -29.1 20 50 A D E > -A 226 0A 16 5,-2.4 4,-2.9 -2,-0.4 5,-0.4 -0.842 14.4-156.7 -84.7 111.6 16.0 -21.1 -32.7 21 51 A T T 4 S+ 0 0 44 204,-2.1 -1,-0.1 -2,-0.8 205,-0.1 0.649 87.1 59.3 -68.0 -16.1 12.8 -22.6 -34.2 22 52 A K T 4 S+ 0 0 131 203,-0.3 -1,-0.2 202,-0.1 204,-0.1 0.953 123.4 16.2 -73.6 -55.2 14.4 -22.5 -37.7 23 53 A S T 4 S- 0 0 79 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.646 95.9-124.1 -93.2 -23.7 17.4 -24.7 -37.0 24 54 A G < + 0 0 46 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.629 56.4 154.2 87.3 5.5 16.4 -26.4 -33.7 25 55 A K - 0 0 95 -5,-0.4 -5,-2.4 232,-0.0 2,-0.3 -0.604 24.7-162.5 -72.5 132.1 19.6 -25.1 -32.1 26 56 A E E -B 19 0A 77 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.881 16.4-158.7-119.7 147.5 19.4 -24.7 -28.3 27 57 A V E -B 18 0A 21 -9,-2.0 -9,-1.7 -2,-0.3 2,-0.4 -0.998 21.1-173.5-122.0 122.9 21.5 -22.7 -25.8 28 59 A K E +B 17 0A 103 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.970 16.9 165.7-123.7 135.2 21.1 -24.1 -22.2 29 60 A F E S-B 16 0A 30 -13,-2.1 -13,-3.4 -2,-0.4 -2,-0.0 -0.863 85.6 -20.7-149.1 112.7 22.5 -22.7 -18.9 30 61 A N S > S+ 0 0 63 -2,-0.3 3,-1.5 -15,-0.2 121,-0.1 0.848 87.7 160.8 52.6 39.8 21.0 -24.0 -15.6 31 62 A S T 3 + 0 0 10 1,-0.3 120,-2.2 119,-0.1 121,-0.4 0.515 64.5 47.4 -74.2 -1.5 18.1 -25.0 -17.9 32 63 A D T 3 S+ 0 0 128 118,-0.1 2,-0.3 117,-0.1 -1,-0.3 0.173 83.3 106.8-123.1 17.5 16.7 -27.5 -15.4 33 64 A K S < S- 0 0 71 -3,-1.5 2,-0.3 1,-0.0 118,-0.1 -0.738 72.8-114.2 -95.4 142.5 16.8 -25.5 -12.2 34 65 A R + 0 0 91 -2,-0.3 2,-0.3 115,-0.2 115,-0.2 -0.622 37.4 173.2 -82.9 137.9 13.4 -24.4 -10.8 35 66 A F E -E 148 0B 1 113,-2.3 113,-1.7 -2,-0.3 2,-0.4 -0.943 41.5-101.6-137.6 152.4 12.6 -20.7 -10.7 36 67 A A E -E 147 0B 3 -2,-0.3 111,-0.2 111,-0.2 169,-0.1 -0.715 31.3-161.9 -75.4 128.5 9.3 -18.8 -9.8 37 68 A Y > + 0 0 6 109,-1.2 3,-1.7 -2,-0.4 -1,-0.2 0.758 21.9 171.3 -84.9 -22.8 7.9 -17.8 -13.2 38 69 A A G > - 0 0 1 108,-0.5 3,-2.0 98,-0.3 -1,-0.2 -0.207 65.7 -1.6 51.4-137.8 5.5 -15.1 -11.9 39 70 A S G > S+ 0 0 9 1,-0.3 3,-1.7 165,-0.2 4,-0.3 0.537 114.2 83.2 -61.2 -11.3 3.8 -12.9 -14.5 40 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.4 1,-0.3 4,-0.6 0.805 82.6 65.6 -65.4 -23.3 5.6 -14.6 -17.4 41 72 A S H <> S+ 0 0 8 -3,-2.0 4,-2.5 1,-0.3 5,-0.3 0.655 78.3 80.0 -72.7 -10.9 2.8 -17.2 -17.0 42 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.848 90.9 55.3 -59.6 -30.4 0.3 -14.6 -18.1 43 74 A A H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.3 -1,-0.2 0.925 108.0 46.9 -66.0 -47.0 1.6 -15.4 -21.6 44 75 A I H X S+ 0 0 7 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.919 113.1 47.2 -60.3 -50.7 0.8 -19.2 -21.2 45 76 A N H X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.908 112.3 50.7 -61.2 -43.1 -2.8 -18.6 -19.8 46 77 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.929 110.6 48.5 -60.8 -44.6 -3.6 -16.1 -22.5 47 78 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.881 108.8 53.9 -62.4 -41.6 -2.4 -18.6 -25.2 48 79 A I H >< S+ 0 0 3 -4,-2.1 3,-0.6 2,-0.2 4,-0.3 0.882 109.4 47.6 -62.8 -37.1 -4.5 -21.4 -23.7 49 80 A L H >< S+ 0 0 1 -4,-1.8 3,-2.0 1,-0.2 4,-0.5 0.937 107.6 56.7 -69.4 -43.1 -7.7 -19.3 -23.8 50 81 A L H 3< S+ 0 0 4 -4,-2.2 117,-0.4 1,-0.3 -1,-0.2 0.601 97.0 64.1 -61.5 -18.9 -7.0 -18.3 -27.4 51 82 A E T << S+ 0 0 41 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.615 111.2 37.3 -78.6 -17.4 -6.9 -22.0 -28.5 52 83 A Q S < S+ 0 0 107 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.446 111.7 58.2-118.1 5.3 -10.4 -22.3 -27.5 53 84 A V S S- 0 0 23 -4,-0.5 -1,-0.2 5,-0.0 5,-0.1 -0.960 77.1-134.3-137.2 115.7 -11.9 -19.0 -28.6 54 87 A P > - 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.321 28.8-109.6 -65.9 152.2 -11.7 -17.8 -32.2 55 88 A Y G > S+ 0 0 93 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.833 117.7 56.6 -50.6 -40.2 -10.7 -14.2 -32.8 56 89 A N G 3 S+ 0 0 118 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.623 105.1 52.6 -70.9 -13.4 -14.3 -13.3 -34.0 57 90 A K G X S+ 0 0 121 -3,-2.2 3,-1.7 1,-0.2 -1,-0.3 0.364 75.9 99.1-105.2 8.4 -15.7 -14.5 -30.7 58 91 A L T < + 0 0 3 -3,-1.5 29,-2.0 -4,-0.3 28,-0.6 0.507 67.6 76.2 -72.1 -4.1 -13.4 -12.4 -28.5 59 92 A N T 3 + 0 0 114 -3,-0.3 -1,-0.3 26,-0.2 -2,-0.1 0.552 67.5 120.0 -79.4 -13.5 -16.2 -9.9 -28.1 60 93 A K < - 0 0 102 -3,-1.7 26,-1.9 25,-0.1 2,-0.3 -0.259 58.9-138.0 -50.7 139.5 -17.9 -12.3 -25.7 61 94 A K E -F 85 0C 116 24,-0.2 2,-0.3 25,-0.1 24,-0.2 -0.796 16.3-162.5-112.1 146.9 -18.3 -10.6 -22.3 62 95 A V E -F 84 0C 12 22,-2.4 22,-2.5 -2,-0.3 2,-0.3 -0.934 24.9-116.4-124.7 149.5 -17.8 -11.8 -18.8 63 96 A H E -F 83 0C 94 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.681 24.4-156.3 -86.3 137.8 -19.2 -10.2 -15.6 64 97 A I + 0 0 0 18,-3.0 17,-1.6 -2,-0.3 18,-0.3 -0.948 15.6 178.0-117.4 131.4 -16.8 -8.8 -13.1 65 98 A N >> - 0 0 56 -2,-0.5 3,-2.6 15,-0.2 4,-0.6 -0.789 44.3 -91.7-129.0 174.6 -17.6 -8.4 -9.6 66 99 A K G >4 S+ 0 0 157 1,-0.3 3,-0.7 -2,-0.3 14,-0.1 0.800 119.8 58.6 -46.7 -44.0 -16.1 -7.3 -6.2 67 100 A D G 34 S+ 0 0 147 1,-0.2 -1,-0.3 3,-0.0 13,-0.0 0.575 97.6 63.0 -66.7 -11.0 -15.0 -10.7 -5.3 68 101 A D G <4 S+ 0 0 35 -3,-2.6 -1,-0.2 2,-0.0 -2,-0.2 0.745 79.0 103.9 -85.8 -21.4 -12.8 -11.0 -8.5 69 102 A I << + 0 0 50 -3,-0.7 2,-0.3 -4,-0.6 3,-0.0 -0.367 43.2 172.5 -70.4 127.8 -10.5 -8.2 -7.6 70 103 A V - 0 0 41 -2,-0.1 30,-0.3 1,-0.1 29,-0.1 -0.808 45.9 -64.4-123.3 171.7 -7.0 -8.9 -6.4 71 104 A A S S+ 0 0 62 -2,-0.3 28,-0.2 1,-0.2 -1,-0.1 -0.214 111.8 22.7 -61.1 148.0 -4.1 -6.5 -5.7 72 105 A Y + 0 0 147 1,-0.1 27,-2.1 26,-0.1 -1,-0.2 0.977 68.9 142.9 59.3 72.6 -2.6 -4.6 -8.7 73 106 A S > + 0 0 2 25,-0.2 4,-1.6 26,-0.2 5,-0.2 -0.676 17.7 173.7-136.0 75.1 -5.4 -4.6 -11.2 74 107 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.773 80.7 28.9 -59.5 -27.1 -5.0 -1.2 -12.8 75 108 A I T >4 S+ 0 0 46 2,-0.1 3,-2.0 -3,-0.1 4,-0.2 0.897 116.9 51.6 -96.6 -57.3 -7.6 -1.9 -15.5 76 109 A L G >4 S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 -7,-0.1 0.733 93.6 73.6 -56.1 -25.2 -10.1 -4.4 -14.0 77 110 A E G >< S+ 0 0 96 -4,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.760 92.4 56.8 -66.0 -21.4 -10.7 -2.4 -10.9 78 111 A K G < S+ 0 0 130 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.523 98.7 63.8 -84.3 -2.7 -12.7 0.0 -12.9 79 112 A Y G X + 0 0 72 -3,-2.3 3,-2.7 -4,-0.2 -15,-0.3 0.167 64.5 140.3-104.9 17.1 -15.0 -2.8 -14.1 80 113 A V T < S+ 0 0 52 -3,-0.7 -15,-0.2 1,-0.3 3,-0.1 -0.451 82.6 9.1 -62.4 128.4 -16.5 -3.8 -10.7 81 114 A G T 3 S+ 0 0 48 -17,-1.6 -1,-0.3 1,-0.3 2,-0.2 0.463 118.7 97.3 80.4 4.4 -20.1 -4.5 -11.4 82 115 A K S < S- 0 0 123 -3,-2.7 -18,-3.0 -18,-0.3 2,-0.4 -0.508 71.3-111.9-121.2-179.8 -19.5 -4.4 -15.1 83 116 A D E -F 63 0C 84 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.878 26.5-170.6-114.2 146.5 -18.9 -6.6 -18.1 84 117 A I E -F 62 0C 4 -22,-2.5 -22,-2.4 -2,-0.4 2,-0.1 -0.979 24.1-114.1-134.7 147.2 -15.7 -6.8 -20.1 85 118 A T E > -F 61 0C 38 -2,-0.3 4,-1.6 -24,-0.2 -24,-0.2 -0.372 25.6-119.4 -76.4 162.9 -14.9 -8.5 -23.4 86 119 A L H > S+ 0 0 2 -26,-1.9 4,-2.2 -28,-0.6 5,-0.2 0.861 114.0 60.4 -69.3 -29.1 -12.4 -11.4 -23.4 87 120 A K H > S+ 0 0 71 -29,-2.0 4,-2.0 -27,-0.3 -1,-0.2 0.916 105.8 44.4 -62.2 -50.0 -10.3 -9.3 -25.8 88 121 A A H > S+ 0 0 17 -30,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.807 108.5 59.0 -64.8 -31.8 -9.8 -6.5 -23.2 89 122 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.945 109.0 44.6 -60.3 -50.1 -9.1 -9.2 -20.5 90 123 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.916 113.0 50.4 -61.9 -39.9 -6.2 -10.4 -22.5 91 124 A E H X>S+ 0 0 63 -4,-2.0 4,-2.5 2,-0.2 5,-0.7 0.896 111.1 49.2 -64.6 -40.7 -5.0 -6.9 -23.3 92 125 A A H X5S+ 0 0 3 -4,-2.4 6,-1.8 3,-0.2 4,-1.4 0.943 114.6 44.8 -64.6 -46.6 -5.2 -5.9 -19.5 93 126 A S H X5S+ 0 0 0 -4,-2.4 4,-0.7 4,-0.3 -2,-0.2 0.921 121.7 36.3 -63.1 -46.5 -3.2 -9.0 -18.5 94 127 A M H <5S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.890 126.6 32.8 -80.1 -40.7 -0.5 -8.7 -21.2 95 128 A T H <5S+ 0 0 42 -4,-2.5 88,-0.2 -5,-0.3 -3,-0.2 0.870 134.8 24.0 -86.7 -35.5 -0.0 -5.0 -21.5 96 129 A Y H < - 0 0 0 -6,-1.8 4,-1.4 1,-0.1 -25,-0.2 -0.542 16.1-156.8 -71.6 120.5 -3.4 -6.9 -14.5 99 132 A N H > S+ 0 0 7 -27,-2.1 4,-2.0 -2,-0.4 34,-0.3 0.831 88.7 50.5 -72.4 -32.9 -3.8 -9.6 -11.9 100 133 A T H > S+ 0 0 0 -30,-0.3 4,-3.1 2,-0.2 5,-0.3 0.948 107.9 55.6 -67.9 -45.9 -7.6 -9.9 -11.9 101 134 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 108.8 48.6 -52.3 -39.0 -7.6 -10.2 -15.7 102 135 A N H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.938 111.8 46.7 -71.1 -42.5 -5.2 -13.1 -15.3 103 136 A N H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.867 112.8 50.4 -64.5 -36.8 -7.3 -14.9 -12.7 104 137 A K H X S+ 0 0 36 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.923 108.8 52.1 -66.6 -42.5 -10.5 -14.3 -14.7 105 138 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.909 109.0 50.5 -56.9 -42.7 -8.7 -15.8 -17.8 106 139 A I H X>S+ 0 0 7 -4,-2.2 5,-3.2 1,-0.2 4,-1.0 0.884 109.9 50.2 -64.7 -39.3 -7.7 -18.9 -15.7 107 140 A K H <5S+ 0 0 105 -4,-1.9 3,-0.5 3,-0.2 -1,-0.2 0.896 107.3 54.5 -64.9 -42.7 -11.4 -19.2 -14.6 108 141 A E H <5S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.0 51.2 -59.0 -37.3 -12.5 -19.0 -18.3 109 142 A I H <5S- 0 0 14 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.759 132.3 -94.8 -70.8 -26.9 -10.2 -21.8 -19.1 110 143 A G T <5 - 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0 0 15 0, 0.0 3,-1.6 0, 0.0 2,-0.4 -0.286 40.4 -87.6 -62.8 155.0 16.6 -11.7 -35.9 220 253 A K T 3 S+ 0 0 126 1,-0.2 -24,-0.1 3,-0.0 3,-0.1 -0.580 119.0 19.0 -69.6 122.6 16.8 -9.2 -38.7 221 254 A G T 3 S+ 0 0 81 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.152 103.0 100.6 104.8 -15.7 16.1 -11.4 -41.8 222 255 A Q < - 0 0 41 -3,-1.6 -1,-0.2 1,-0.1 0, 0.0 -0.846 47.2-167.8-110.7 137.0 14.4 -14.4 -40.1 223 256 A S S S+ 0 0 99 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 0.641 74.2 73.7 -91.0 -19.7 10.7 -15.0 -40.0 224 257 A E S S- 0 0 60 1,-0.1 -202,-0.1 -5,-0.0 2,-0.1 -0.785 83.1-129.7 -94.4 140.5 10.9 -17.8 -37.4 225 258 A P - 0 0 11 0, 0.0 -204,-2.1 0, 0.0 2,-0.6 -0.339 5.3-124.0 -87.5 167.9 11.7 -16.6 -33.9 226 259 A I E -AD 20 217A 1 -9,-2.4 -9,-2.6 -206,-0.2 2,-0.6 -0.967 27.3-137.2-106.7 116.8 14.2 -17.7 -31.3 227 260 A V E -AD 19 216A 0 -208,-3.1 -208,-2.3 -2,-0.6 2,-0.5 -0.746 27.1-172.2 -75.7 123.5 12.3 -18.6 -28.1 228 261 A L E -AD 18 215A 0 -13,-2.8 -13,-2.4 -2,-0.6 2,-0.5 -0.966 11.8-176.5-126.5 120.8 14.3 -17.1 -25.3 229 262 A V E +AD 17 214A 0 -212,-3.6 -212,-1.6 -2,-0.5 2,-0.5 -0.950 2.5 179.4-116.7 114.6 13.6 -17.8 -21.6 230 263 A I E +AD 16 213A 0 -17,-2.6 -17,-2.1 -2,-0.5 2,-0.4 -0.953 2.9 175.4-117.5 116.3 15.7 -16.0 -18.9 231 264 A F E +AD 15 212A 0 -216,-2.5 -216,-2.1 -2,-0.5 2,-0.3 -0.971 7.3 175.0-117.3 127.7 14.9 -16.7 -15.2 232 265 A T E +AD 14 211A 4 -21,-1.7 -21,-1.6 -2,-0.4 2,-0.3 -0.931 6.9 160.5-132.3 156.2 17.0 -15.1 -12.4 233 266 A N E -A 13 0A 15 -220,-1.4 -220,-2.8 -2,-0.3 2,-0.3 -0.959 23.1-132.4-159.6 171.7 17.0 -15.0 -8.6 234 267 A K - 0 0 40 -26,-2.5 -222,-0.1 -2,-0.3 -223,-0.1 -0.766 29.4-102.9-127.0 177.3 19.3 -14.2 -5.7 235 268 A D S S+ 0 0 91 -224,-0.4 2,-0.5 -2,-0.3 -223,-0.1 0.709 93.0 67.2 -79.8 -17.4 20.1 -15.9 -2.4 236 269 A N S > S- 0 0 97 1,-0.1 3,-2.6 -29,-0.0 -2,-0.2 -0.880 74.7-131.8-115.6 137.8 18.2 -13.6 0.1 237 270 A K T 3 S+ 0 0 134 -2,-0.5 -29,-1.4 1,-0.3 -28,-0.4 0.784 108.3 42.0 -49.0 -35.9 14.6 -13.2 0.4 238 271 A S T 3 S+ 0 0 105 -31,-0.2 -1,-0.3 -30,-0.1 -3,-0.0 0.298 81.0 127.9-102.4 10.8 14.8 -9.5 0.4 239 272 A D < - 0 0 44 -3,-2.6 -30,-1.0 1,-0.1 -29,-0.1 -0.329 52.4-136.2 -63.9 145.7 17.4 -9.0 -2.4 240 273 A K - 0 0 179 -32,-0.1 2,-0.1 -31,-0.1 -2,-0.1 -0.857 21.3-122.8-100.9 142.5 16.3 -6.5 -5.2 241 274 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 -31,-0.1 -0.435 8.2-139.0 -84.5 160.7 17.0 -7.5 -8.8 242 275 A N > - 0 0 85 -33,-0.1 3,-1.7 1,-0.1 4,-0.4 -0.988 6.7-152.2-115.0 118.5 19.1 -5.5 -11.3 243 276 A D T >> S+ 0 0 40 -2,-0.5 4,-1.5 1,-0.3 3,-1.2 0.795 90.4 75.0 -62.8 -23.8 17.4 -5.5 -14.7 244 277 A K H 3> S+ 0 0 80 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.743 82.8 68.2 -57.3 -30.8 20.8 -5.1 -16.3 245 278 A L H <> S+ 0 0 6 -3,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.907 104.8 40.2 -56.1 -43.6 21.5 -8.8 -15.5 246 279 A I H <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.4 -2,-0.2 0.863 112.5 55.5 -75.7 -35.7 18.9 -10.0 -18.0 247 280 A S H X S+ 0 0 0 -4,-1.5 4,-2.3 -61,-0.3 -2,-0.2 0.962 113.0 42.5 -59.2 -47.7 19.9 -7.3 -20.6 248 281 A E H X S+ 0 0 38 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.849 112.5 53.0 -68.9 -38.2 23.5 -8.6 -20.4 249 282 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.919 108.8 50.2 -62.0 -44.0 22.4 -12.2 -20.4 250 283 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.926 110.3 49.9 -62.3 -47.2 20.3 -11.6 -23.6 251 284 A K H X S+ 0 0 101 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.952 112.8 47.1 -55.3 -49.4 23.2 -9.9 -25.4 252 285 A S H >< S+ 0 0 11 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.895 114.2 45.9 -59.6 -46.0 25.5 -12.8 -24.5 253 286 A V H >< S+ 0 0 3 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.863 103.2 63.0 -68.9 -36.9 23.1 -15.5 -25.6 254 287 A M H >< S+ 0 0 7 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.790 90.9 69.2 -60.4 -24.2 22.2 -13.8 -28.8 255 288 A K T << S+ 0 0 134 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.632 89.1 64.1 -64.8 -22.2 25.9 -14.3 -29.9 256 289 A E T < 0 0 98 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.599 360.0 360.0 -75.9 -18.8 25.3 -18.0 -30.1 257 290 A F < 0 0 81 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.1 0.694 360.0 360.0-104.3 360.0 22.8 -17.5 -33.0