==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-APR-10 3MKE . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR F.VAN DEN AKKER,W.KE . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 69.1 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 . 5 1.9 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 . 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 81 0, 0.0 6,-0.0 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 155.3 61.2 59.6 8.8 2 27 A P - 0 0 37 0, 0.0 260,-0.1 0, 0.0 259,-0.1 -0.143 360.0 -78.4 -60.8 164.2 61.2 60.6 12.5 3 28 A Q > - 0 0 87 1,-0.1 4,-2.8 258,-0.1 3,-0.3 -0.336 55.2-102.6 -58.4 149.6 60.0 58.2 15.1 4 29 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.869 122.7 43.9 -50.5 -48.2 56.1 58.2 15.1 5 30 A L H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.850 113.4 53.1 -65.8 -35.3 55.7 60.4 18.2 6 31 A E H > S+ 0 0 105 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.904 111.5 46.1 -58.5 -48.5 58.5 62.8 16.9 7 32 A Q H X S+ 0 0 25 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.930 110.5 52.6 -63.0 -47.4 56.7 63.1 13.6 8 33 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.914 108.9 50.3 -55.7 -43.0 53.3 63.7 15.3 9 34 A K H X S+ 0 0 117 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.940 110.2 49.4 -61.4 -45.3 54.9 66.5 17.4 10 35 A L H X S+ 0 0 83 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.932 110.6 52.5 -57.1 -45.7 56.3 68.1 14.2 11 36 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 6,-0.3 0.906 109.9 45.8 -55.9 -49.1 52.8 67.8 12.7 12 37 A E H X>S+ 0 0 30 -4,-2.6 4,-1.8 1,-0.2 5,-0.7 0.883 113.6 50.4 -63.3 -39.8 51.1 69.6 15.6 13 38 A S H <5S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.923 115.7 41.9 -65.0 -43.6 53.7 72.3 15.6 14 39 A Q H <5S+ 0 0 124 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.8 37.8 -72.4 -39.1 53.4 72.9 11.8 15 40 A L H <5S- 0 0 6 -4,-2.7 228,-0.4 -5,-0.2 -1,-0.2 0.666 92.4-137.4 -83.4 -19.2 49.6 72.7 11.7 16 41 A S T <5S+ 0 0 93 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.862 72.2 108.4 53.1 35.1 48.9 74.4 15.0 17 42 A G S -A 232 0A 20 5,-2.9 4,-1.5 -2,-0.4 207,-0.3 -0.443 24.8-145.6 -57.3 129.1 46.9 44.8 17.0 26 51 A L T 4 S+ 0 0 20 205,-2.9 -1,-0.1 2,-0.2 206,-0.1 0.916 93.3 46.4 -62.2 -45.8 43.7 43.6 15.3 27 52 A A T 4 S+ 0 0 85 204,-0.5 -1,-0.1 1,-0.2 205,-0.1 0.935 131.2 13.3 -69.2 -46.1 43.8 40.1 16.8 28 53 A S T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.696 91.5-120.4-105.0 -23.5 44.5 40.9 20.4 29 54 A G < + 0 0 21 -4,-1.5 2,-0.1 1,-0.3 -3,-0.1 0.508 50.5 164.1 84.7 6.7 44.0 44.6 20.9 30 55 A R - 0 0 99 -6,-0.1 -5,-2.9 1,-0.1 2,-0.6 -0.387 35.8-133.0 -53.8 123.7 47.7 45.1 22.0 31 56 A T E -B 24 0A 75 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.769 25.0-178.6 -85.1 121.1 48.4 48.9 21.8 32 57 A L E - 0 0 42 -9,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.873 66.3 -16.1 -84.1 -43.8 51.7 49.5 20.0 33 58 A T E -B 23 0A 37 -10,-1.1 -10,-2.4 -29,-0.0 -1,-0.4 -0.970 63.5-179.4-161.7 156.3 51.8 53.3 20.2 34 59 A A E -B 22 0A 38 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.985 12.6-167.1-162.5 151.5 49.4 56.1 20.9 35 60 A W E S-B 21 0A 53 -14,-2.4 -14,-2.8 -2,-0.3 4,-0.1 -0.934 83.8 -15.8-150.8 123.9 49.2 59.9 21.2 36 61 A R S > S+ 0 0 81 -2,-0.3 3,-1.6 -16,-0.2 123,-0.1 0.847 84.4 155.8 48.9 39.2 46.2 61.8 22.7 37 62 A A T 3 + 0 0 12 1,-0.3 122,-2.5 120,-0.1 123,-0.4 0.659 67.2 48.5 -77.5 -11.7 44.4 58.5 22.3 38 63 A D T 3 S+ 0 0 140 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.206 91.9 99.9-108.2 14.9 41.9 59.3 25.1 39 64 A E S < S- 0 0 65 -3,-1.6 2,-0.2 -4,-0.1 120,-0.1 -0.765 77.5-109.3 -98.7 146.0 41.1 62.8 23.7 40 65 A R + 0 0 82 -2,-0.3 117,-0.2 117,-0.2 -2,-0.1 -0.545 36.8 173.3 -79.5 141.7 38.0 63.4 21.7 41 66 A F E -E 156 0B 0 115,-2.4 115,-2.2 -2,-0.2 2,-0.2 -0.983 41.5 -96.4-137.9 146.1 38.0 64.2 17.9 42 67 A P E -E 155 0B 4 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.464 27.7-148.3 -59.8 131.4 35.2 64.6 15.4 43 68 A M > + 0 0 2 111,-2.3 3,-1.7 -2,-0.2 112,-0.1 0.820 28.9 174.2 -66.7 -36.4 34.6 61.3 13.6 44 69 A M G > S- 0 0 0 110,-0.5 3,-2.0 100,-0.4 4,-0.2 -0.244 70.1 -15.8 53.0-145.0 33.5 62.9 10.4 45 70 A S G > S+ 0 0 10 1,-0.3 3,-1.5 167,-0.3 4,-0.3 0.563 121.9 83.7 -70.6 -9.8 33.0 60.3 7.6 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.2 4,-0.7 0.763 77.6 71.8 -58.1 -23.9 35.0 57.7 9.6 47 72 A F H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.727 77.1 79.5 -64.2 -20.8 31.6 57.0 11.4 48 73 A K H <> S+ 0 0 0 -3,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.809 89.2 53.4 -60.8 -28.9 30.4 55.4 8.2 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.3 -1,-0.2 0.948 110.8 45.2 -68.9 -47.6 32.3 52.2 9.0 50 75 A V H X S+ 0 0 1 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.904 110.1 56.7 -60.6 -43.8 30.7 52.0 12.5 51 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.920 108.0 45.7 -52.8 -49.4 27.3 52.7 10.9 52 77 A a H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.815 106.9 59.5 -73.2 -25.8 27.5 49.7 8.6 53 78 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.929 107.5 46.8 -57.7 -45.3 28.7 47.6 11.5 54 79 A A H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.918 110.9 51.6 -62.4 -42.8 25.4 48.5 13.1 55 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.940 110.1 48.8 -61.3 -48.2 23.5 47.7 9.9 56 81 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.877 106.1 57.5 -58.7 -40.4 25.2 44.3 9.7 57 82 A A H X S+ 0 0 25 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.905 107.3 48.4 -54.5 -42.0 24.3 43.7 13.4 58 83 A R H <>S+ 0 0 77 -4,-1.9 5,-3.1 2,-0.2 6,-0.7 0.883 110.3 51.1 -69.0 -36.5 20.6 44.2 12.4 59 84 A V H ><5S+ 0 0 36 -4,-2.1 3,-1.9 4,-0.2 5,-0.2 0.955 109.1 50.7 -61.5 -48.8 21.1 41.8 9.4 60 85 A D H 3<5S+ 0 0 61 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.837 108.7 53.0 -57.4 -33.9 22.6 39.2 11.8 61 86 A A T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.508 118.0-112.8 -78.6 -6.2 19.6 39.6 14.1 62 87 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.755 90.6 112.6 73.6 26.2 17.1 39.0 11.2 63 88 A D S - 0 0 116 -2,-0.3 3,-1.3 1,-0.1 29,-0.4 -0.996 16.6-141.4-136.9 135.1 18.6 42.2 4.8 66 91 A L T 3 S+ 0 0 22 -2,-0.4 29,-2.5 1,-0.3 30,-0.4 0.819 107.2 58.1 -60.4 -27.7 21.5 43.4 2.7 67 92 A E T 3 S+ 0 0 134 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.682 77.5 117.6 -72.9 -19.9 19.3 42.6 -0.3 68 93 A R < - 0 0 100 -3,-1.3 26,-2.0 25,-0.1 2,-0.4 -0.284 60.8-138.6 -61.5 124.3 16.5 44.9 0.8 69 94 A K E -F 93 0C 91 24,-0.2 2,-0.5 25,-0.1 24,-0.3 -0.698 13.4-159.2 -88.1 128.0 15.9 47.7 -1.8 70 95 A I E -F 92 0C 22 22,-3.1 22,-2.2 -2,-0.4 2,-0.4 -0.935 1.4-158.5-108.1 128.9 15.3 51.2 -0.4 71 96 A H + 0 0 117 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.889 19.7 173.6-106.8 135.6 13.5 53.7 -2.7 72 97 A Y - 0 0 10 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.824 22.7-118.1-141.4 172.2 14.1 57.4 -1.8 73 98 A R > - 0 0 164 -2,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.758 28.3-109.2-121.0 161.0 13.3 60.8 -3.2 74 99 A Q G > S+ 0 0 145 1,-0.3 3,-1.8 -2,-0.3 -1,-0.1 0.866 117.7 61.5 -58.3 -37.1 15.3 63.8 -4.3 75 100 A Q G 3 S+ 0 0 161 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.632 95.6 63.0 -62.9 -17.1 14.2 65.7 -1.2 76 101 A D G < S+ 0 0 67 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.555 85.2 102.2 -81.3 -9.7 16.0 63.0 0.9 77 102 A L < - 0 0 40 -3,-1.8 2,-0.2 -4,-0.4 3,-0.1 -0.481 49.9-170.9 -84.7 145.6 19.4 63.9 -0.6 78 103 A V - 0 0 49 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.744 43.7 -55.0-119.7 175.5 22.1 65.9 1.1 79 104 A D S S+ 0 0 121 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.202 114.5 22.2 -52.1 135.6 25.4 67.4 -0.1 80 105 A Y + 0 0 104 27,-0.1 27,-2.8 1,-0.1 28,-0.4 0.997 66.3 147.7 69.4 81.3 27.9 64.9 -1.7 81 106 A S > + 0 0 7 25,-0.2 4,-2.4 26,-0.2 5,-0.2 -0.464 6.6 160.9-139.7 58.2 25.9 61.9 -2.9 82 107 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.784 79.8 29.1 -62.4 -30.8 27.7 60.8 -6.0 83 108 A V T >4 S+ 0 0 34 2,-0.1 3,-1.5 -3,-0.1 4,-0.2 0.888 119.6 50.9 -91.4 -50.8 26.2 57.3 -6.0 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.816 100.9 61.5 -64.2 -31.7 22.8 57.8 -4.5 85 110 A E G >< S+ 0 0 110 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.732 98.7 61.5 -66.4 -18.1 21.8 60.7 -6.7 86 111 A K G < S+ 0 0 154 -3,-1.5 -1,-0.3 -5,-0.2 3,-0.2 0.552 101.2 53.1 -79.5 -8.8 22.1 58.2 -9.7 87 112 A H G <> + 0 0 49 -3,-1.7 4,-2.1 -4,-0.2 -15,-0.3 -0.093 59.1 120.3-126.9 37.1 19.4 56.0 -8.3 88 113 A L T <4 S+ 0 0 58 -3,-0.5 -16,-0.2 1,-0.2 -1,-0.1 0.837 86.2 43.7 -65.2 -31.4 16.3 58.1 -7.7 89 114 A A T 4 S+ 0 0 97 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.935 128.2 22.3 -78.1 -49.0 14.4 55.9 -10.1 90 115 A D T 4 S- 0 0 73 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.621 93.6-144.5-103.0 -15.1 15.5 52.4 -9.1 91 116 A G < - 0 0 1 -4,-2.1 2,-0.3 -7,-0.1 -20,-0.2 -0.208 18.2 -95.4 75.6-171.3 16.7 52.8 -5.5 92 117 A M E -F 70 0C 3 -22,-2.2 -22,-3.1 -4,-0.1 2,-0.1 -0.993 25.7-113.9-145.8 144.7 19.6 51.0 -3.8 93 118 A T E > -F 69 0C 30 -2,-0.3 4,-2.5 -24,-0.3 -24,-0.2 -0.392 34.2-110.5 -72.4 157.3 19.9 47.9 -1.7 94 119 A V H > S+ 0 0 0 -26,-2.0 4,-2.4 -29,-0.4 -28,-0.2 0.919 121.9 49.7 -51.6 -46.3 21.0 48.2 1.9 95 120 A G H > S+ 0 0 13 -29,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.915 110.2 50.0 -61.8 -43.5 24.3 46.5 0.9 96 121 A E H > S+ 0 0 95 -30,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.866 108.5 53.7 -61.1 -38.3 24.8 48.9 -2.0 97 122 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.929 108.8 47.8 -64.8 -45.7 24.1 51.8 0.4 98 123 A a H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.937 111.2 51.6 -58.9 -45.0 26.8 50.6 2.7 99 124 A A H X S+ 0 0 28 -4,-2.6 4,-2.7 2,-0.2 5,-0.5 0.925 113.2 44.2 -55.1 -44.9 29.2 50.2 -0.2 100 125 A A H X S+ 0 0 3 -4,-2.4 6,-2.1 3,-0.2 4,-1.6 0.921 114.7 49.9 -69.3 -42.2 28.4 53.8 -1.4 101 126 A A H < S+ 0 0 0 -4,-3.0 4,-0.4 4,-0.2 -2,-0.2 0.919 122.6 30.2 -61.7 -46.7 28.7 55.1 2.2 102 127 A I H < S+ 0 0 0 -4,-3.1 108,-0.2 -5,-0.2 -2,-0.2 0.952 127.3 37.2 -80.4 -49.6 32.1 53.5 2.9 103 128 A T H < S+ 0 0 18 -4,-2.7 87,-2.6 -5,-0.4 88,-0.8 0.722 134.5 21.5 -84.1 -21.2 33.8 53.3 -0.5 104 129 A M S < S- 0 0 61 -4,-1.6 -1,-0.2 -5,-0.5 -3,-0.2 0.388 97.2-123.5-121.0 -3.6 32.6 56.6 -1.9 105 130 A S - 0 0 12 -4,-0.4 -4,-0.2 -5,-0.4 2,-0.2 0.747 41.3-174.9 63.1 28.6 31.7 58.5 1.3 106 131 A D > - 0 0 0 -6,-2.1 4,-2.0 1,-0.2 -25,-0.2 -0.338 14.0-160.4 -61.7 117.7 28.2 59.0 -0.0 107 132 A N H > S+ 0 0 10 -27,-2.8 4,-2.6 2,-0.2 34,-0.3 0.873 87.7 47.2 -73.3 -42.9 26.3 61.2 2.5 108 133 A S H > S+ 0 0 1 -28,-0.4 4,-2.8 -30,-0.3 5,-0.2 0.902 110.7 54.2 -66.1 -39.7 22.8 60.5 1.5 109 134 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.955 110.1 48.4 -53.1 -49.6 23.6 56.7 1.5 110 135 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.930 111.7 48.4 -55.8 -49.4 24.9 57.2 5.0 111 136 A N H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.905 109.8 51.8 -59.6 -42.0 21.7 59.1 6.1 112 137 A L H X S+ 0 0 29 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.928 114.0 43.9 -61.1 -43.6 19.4 56.5 4.6 113 138 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 3,-0.3 0.886 108.9 57.7 -66.1 -42.9 21.3 53.8 6.5 114 139 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-1.0 0.904 102.4 55.1 -55.1 -44.1 21.4 55.9 9.7 115 140 A A H ><5S+ 0 0 57 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.886 102.5 57.2 -55.6 -39.6 17.6 56.0 9.5 116 141 A T H 3<5S+ 0 0 26 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.725 107.4 47.5 -67.9 -20.0 17.4 52.2 9.5 117 142 A V T <<5S- 0 0 16 -3,-1.0 -1,-0.3 -4,-0.9 9,-0.2 0.242 130.6 -87.2-106.9 11.5 19.4 51.9 12.8 118 143 A G T <>5 - 0 0 53 -3,-1.4 4,-1.6 -4,-0.2 3,-0.2 0.723 67.1 -87.7 94.9 25.2 17.3 54.5 14.7 119 144 A G H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 17,-0.5 0.896 142.9 54.2 -51.8 -40.9 22.2 59.1 15.6 121 146 A A H > S+ 0 0 76 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 108.7 48.4 -61.0 -41.9 20.6 58.1 18.9 122 147 A G H X S+ 0 0 19 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.905 111.4 48.9 -65.9 -42.0 20.2 54.5 17.6 123 148 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.904 111.1 50.9 -63.6 -40.5 23.8 54.3 16.5 124 149 A T H X S+ 0 0 23 -4,-2.5 4,-2.2 13,-0.3 -2,-0.2 0.910 109.1 51.1 -63.1 -41.0 24.9 55.6 19.8 125 150 A A H X S+ 0 0 53 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.907 108.2 52.7 -62.4 -39.5 22.7 52.9 21.5 126 151 A F H X S+ 0 0 32 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.928 106.8 52.6 -59.2 -48.1 24.4 50.3 19.4 127 152 A L H ><>S+ 0 0 1 -4,-2.3 5,-2.7 1,-0.2 3,-0.7 0.935 108.5 49.7 -53.8 -48.7 27.9 51.6 20.5 128 153 A R H ><5S+ 0 0 88 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.882 106.3 57.8 -58.2 -38.4 26.8 51.3 24.2 129 154 A Q H 3<5S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.7 47.1 -61.6 -32.0 25.7 47.7 23.4 130 155 A I T <<5S- 0 0 11 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.287 126.8-100.7 -96.3 12.4 29.1 46.8 22.2 131 156 A G T < 5S+ 0 0 38 -3,-1.4 2,-0.9 1,-0.2 -3,-0.2 0.649 78.6 136.4 82.4 17.8 30.7 48.4 25.3 132 157 A D < + 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.873 20.5 170.7 -94.8 104.8 31.8 51.7 23.7 133 158 A N + 0 0 116 -2,-0.9 -1,-0.1 -3,-0.1 -5,-0.1 0.272 69.4 48.3 -96.7 10.0 30.8 54.2 26.3 134 159 A V S S+ 0 0 45 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.794 84.2 81.9-117.8 -56.1 32.7 57.1 24.6 135 160 A T + 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.247 57.2 177.3 -57.2 141.4 31.9 57.4 20.9 136 161 A R - 0 0 74 19,-2.2 2,-0.4 16,-0.2 19,-0.4 -0.986 24.0-157.0-151.0 139.1 28.7 59.2 20.1 137 162 A L + 0 0 1 -17,-0.5 -13,-0.3 -2,-0.3 3,-0.1 -0.964 21.4 159.6-113.8 140.8 26.7 60.3 17.1 138 163 A D + 0 0 54 -2,-0.4 2,-0.2 1,-0.1 -17,-0.2 0.567 57.5 40.6-131.2 -28.9 24.2 63.1 17.5 139 164 A R S S- 0 0 32 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.714 70.1-118.6-124.7 174.4 23.6 64.5 14.0 140 165 A W > - 0 0 97 -2,-0.2 4,-1.9 1,-0.1 2,-0.3 -0.467 57.4 -39.3 -99.5 173.5 23.2 63.4 10.4 141 166 A E T 4 S+ 0 0 2 -34,-0.3 -1,-0.1 1,-0.3 -62,-0.0 -0.612 120.6 10.6 -69.3 137.6 25.3 64.2 7.3 142 167 A T T >4 S+ 0 0 47 -2,-0.3 3,-1.8 -64,-0.1 -1,-0.3 -0.986 120.3 58.9-106.8 5.3 26.5 66.9 6.8 143 168 A E G >4 S+ 0 0 116 1,-0.3 3,-1.6 -3,-0.2 -2,-0.2 0.737 91.4 74.7 -61.6 -25.5 26.0 68.7 10.1 144 169 A L G 3< S+ 0 0 1 -4,-1.9 -100,-0.4 1,-0.3 3,-0.4 0.619 86.9 63.7 -67.1 -11.1 27.9 66.1 12.0 145 170 A N G < + 0 0 16 -3,-1.8 69,-2.8 1,-0.2 -1,-0.3 0.221 66.8 110.6 -90.7 9.4 31.2 67.5 10.4 146 171 A E < - 0 0 84 -3,-1.6 -1,-0.2 67,-0.2 -2,-0.1 0.804 57.1-163.7 -59.9 -35.9 30.8 70.9 12.2 147 172 A A - 0 0 7 -3,-0.4 93,-0.1 1,-0.2 -1,-0.1 0.826 10.9-177.0 53.4 43.8 33.8 70.3 14.5 148 173 A L > - 0 0 73 5,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.507 34.9-106.9 -65.7 132.5 33.0 73.0 17.1 149 174 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.339 103.9 15.9 -59.1 143.1 35.7 73.1 19.7 150 175 A G T 3 S+ 0 0 86 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.506 93.2 130.0 72.8 5.3 34.5 71.7 23.1 151 176 A D < - 0 0 26 -3,-1.7 -1,-0.2 1,-0.1 -4,-0.0 -0.844 42.4-166.2 -94.5 119.1 31.5 70.0 21.4 152 177 A A > + 0 0 30 -2,-0.6 3,-1.1 -3,-0.1 -16,-0.2 0.613 52.3 117.4 -75.5 -15.3 31.2 66.3 22.3 153 178 A R T 3 S+ 0 0 91 1,-0.2 -6,-0.1 -15,-0.1 -16,-0.1 -0.288 84.2 1.0 -60.3 133.8 28.6 65.7 19.5 154 179 A D T 3 S+ 0 0 1 1,-0.2 -111,-2.3 -112,-0.1 -110,-0.5 0.813 102.2 134.1 65.5 34.6 29.7 63.2 16.9 155 180 A T E < +E 42 0B 2 -3,-1.1 -19,-2.2 -19,-0.4 2,-0.3 -0.752 30.4 175.2-116.3 160.0 33.1 62.5 18.5 156 181 A T E -E 41 0B 0 -115,-2.2 -115,-2.4 -2,-0.3 3,-0.1 -0.790 28.3-120.8-136.6-176.8 35.2 59.4 19.3 157 182 A T > - 0 0 7 -2,-0.3 4,-2.9 -117,-0.2 5,-0.3 -0.917 28.6-114.4-119.4 158.9 38.7 59.0 20.8 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.934 118.4 48.5 -54.3 -43.1 41.4 57.1 18.8 159 184 A A H > S+ 0 0 21 -122,-2.5 4,-2.2 2,-0.2 5,-0.1 0.885 114.1 44.3 -66.5 -41.4 41.4 54.4 21.5 160 185 A S H > S+ 0 0 21 -123,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.908 114.2 49.6 -68.5 -43.2 37.6 54.0 21.5 161 186 A M H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.921 113.4 46.1 -62.7 -44.2 37.4 54.0 17.7 162 187 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.927 113.7 48.6 -65.7 -44.2 40.2 51.4 17.4 163 188 A A H X S+ 0 0 32 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.903 113.5 47.9 -60.6 -38.9 38.6 49.2 20.1 164 189 A T H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.904 110.5 50.1 -72.3 -40.7 35.2 49.5 18.4 165 190 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.934 111.2 49.8 -62.3 -43.7 36.6 48.7 15.0 166 191 A R H X>S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 5,-0.7 0.899 109.6 51.8 -59.5 -40.9 38.3 45.6 16.4 167 192 A K H X5S+ 0 0 37 -4,-2.0 4,-1.0 1,-0.2 6,-0.7 0.911 112.4 45.7 -62.2 -43.5 35.1 44.6 18.1 168 193 A L H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.834 119.6 39.5 -67.1 -35.2 33.2 44.9 14.8 169 194 A L H <5S+ 0 0 12 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.771 133.8 5.6 -90.7 -27.5 35.8 43.0 12.7 170 195 A T H <5S+ 0 0 47 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.518 98.7 87.0-136.7 -10.6 37.0 40.2 14.9 171 196 A S S < - 0 0 46 -2,-0.3 4,-2.8 -119,-0.2 5,-0.2 -0.177 35.9-104.3 -62.7 164.2 28.5 37.0 12.2 176 201 A A H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.936 123.6 46.5 -53.1 -49.2 31.5 35.5 10.3 177 202 A R H > S+ 0 0 187 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 111.7 50.6 -64.6 -42.7 30.0 36.7 7.0 178 203 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 108.9 51.5 -60.9 -43.9 29.2 40.2 8.4 179 204 A Q H X S+ 0 0 30 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.922 112.2 47.7 -57.1 -45.9 32.8 40.6 9.7 180 205 A R H X S+ 0 0 181 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.878 111.1 50.9 -60.8 -43.8 34.1 39.6 6.2 181 206 A Q H X S+ 0 0 38 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 108.6 49.7 -63.0 -46.2 31.7 42.0 4.6 182 207 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.937 112.4 49.1 -60.5 -46.2 32.7 45.0 6.7 183 208 A L H X S+ 0 0 57 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.941 108.7 53.4 -53.3 -52.1 36.3 44.3 6.0 184 209 A Q H X S+ 0 0 100 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.854 106.0 53.1 -51.6 -46.4 35.6 44.0 2.2 185 210 A W H < S+ 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.916 110.9 45.6 -61.5 -43.6 34.0 47.4 2.1 186 211 A M H >< S+ 0 0 0 -4,-1.8 22,-2.1 1,-0.2 3,-1.5 0.896 111.0 53.1 -66.5 -40.2 37.0 49.0 3.8 187 212 A V H 3< S+ 0 0 42 -4,-2.7 -2,-0.2 20,-0.3 -1,-0.2 0.892 108.4 53.6 -57.7 -37.4 39.4 47.2 1.4 188 213 A D T 3< S+ 0 0 54 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.331 74.1 145.1 -85.1 8.5 37.3 48.6 -1.5 189 214 A D < - 0 0 0 -3,-1.5 -86,-0.2 19,-0.2 -85,-0.1 -0.197 26.8-173.3 -48.9 129.7 37.5 52.3 -0.5 190 215 A R S S+ 0 0 127 -87,-2.6 -86,-0.2 3,-0.2 -1,-0.2 0.612 71.2 68.1-100.8 -16.4 37.7 54.3 -3.7 191 216 A V S S- 0 0 63 -88,-0.8 4,-0.1 1,-0.1 -87,-0.1 0.973 128.9 -12.8 -68.1 -54.5 38.3 57.8 -2.1 192 217 A A S > S+ 0 0 14 16,-0.1 4,-3.0 2,-0.1 5,-0.3 0.596 112.7 89.6-123.3 -22.2 41.9 57.2 -0.8 193 218 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.914 91.4 43.2 -48.4 -59.6 42.5 53.4 -1.0 194 219 A P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.890 116.9 48.7 -59.3 -39.5 44.0 53.2 -4.5 195 220 A L H > S+ 0 0 118 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.914 113.6 45.6 -62.6 -46.3 46.1 56.3 -4.0 196 221 A I H >X S+ 0 0 37 -4,-3.0 3,-1.5 1,-0.2 4,-1.0 0.951 111.7 51.8 -61.6 -49.4 47.5 55.0 -0.6 197 222 A R H >< S+ 0 0 94 -4,-3.0 3,-0.6 1,-0.3 -1,-0.2 0.873 104.9 58.7 -56.3 -36.5 48.1 51.5 -2.1 198 223 A S H 3< S+ 0 0 85 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.740 113.8 36.0 -66.0 -23.8 50.1 53.3 -4.9 199 224 A V H << S+ 0 0 113 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.379 94.8 101.9-114.2 0.2 52.5 54.9 -2.5 200 225 A L S << S- 0 0 26 -4,-1.0 3,-0.1 -3,-0.6 6,-0.0 -0.625 83.1-101.9 -78.9 147.2 52.8 52.1 0.1 201 226 A P > - 0 0 69 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.325 53.0 -84.5 -61.5 151.6 55.9 49.9 0.0 202 227 A A T 3 S+ 0 0 104 1,-0.2 25,-0.2 -3,-0.1 3,-0.1 -0.261 115.4 36.4 -52.8 138.5 55.2 46.5 -1.6 203 228 A G T 3 S+ 0 0 28 1,-0.2 25,-3.4 23,-0.1 2,-0.6 0.240 83.3 126.9 103.7 -12.7 53.8 44.0 0.8 204 229 A W < - 0 0 38 -3,-1.5 -1,-0.2 23,-0.2 2,-0.2 -0.715 50.6-144.4 -88.7 119.6 51.6 46.3 2.8 205 230 A F E -C 225 0A 42 20,-2.9 20,-1.0 -2,-0.6 2,-0.4 -0.544 20.6-170.4 -70.6 137.2 47.9 45.5 3.2 206 231 A I E +C 224 0A 11 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.997 21.5 155.9-135.3 135.6 45.5 48.5 3.2 207 232 A A E +C 223 0A 0 16,-1.5 16,-2.6 -2,-0.4 2,-0.3 -0.949 28.0 156.7-141.2 144.1 41.8 48.9 4.0 208 233 A D E -C 222 0A 0 -22,-2.1 2,-0.3 -2,-0.3 14,-0.2 -0.993 39.1-150.4-161.7 163.3 40.5 52.3 5.1 209 234 A K E -C 221 0A 0 12,-2.2 12,-2.3 -2,-0.3 2,-0.2 -0.928 24.1-161.4-140.8 127.6 37.9 55.0 5.6 210 235 A T E -C 220 0A 10 -2,-0.3 2,-0.3 -108,-0.2 10,-0.2 -0.474 5.0-168.5 -97.6 171.0 38.7 58.7 5.5 211 236 A G E -C 219 0A 1 8,-2.1 8,-2.1 -166,-0.2 2,-0.3 -0.987 6.1-166.3-155.6 154.9 36.8 61.7 6.8 212 237 A A E +C 218 0A 35 -2,-0.3 -167,-0.3 6,-0.2 6,-0.3 -0.991 14.3 162.9-144.6 147.2 37.0 65.5 6.6 213 238 A G - 0 0 11 4,-2.6 3,-0.4 -2,-0.3 -67,-0.2 -0.779 38.9 -61.0-145.1-169.1 35.3 68.2 8.6 214 240 A E S > S+ 0 0 121 -69,-2.8 3,-2.2 -2,-0.2 26,-0.3 -0.231 105.5 32.6 -78.1 169.9 35.4 71.9 9.4 215 241 A R T 3 S- 0 0 141 1,-0.3 26,-1.7 25,-0.1 25,-0.5 0.822 137.9 -55.4 53.3 34.7 38.2 73.9 11.1 216 242 A G T 3 S+ 0 0 9 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.410 87.8 162.1 86.9 -4.8 40.7 71.6 9.5 217 243 A A < + 0 0 0 -3,-2.2 -4,-2.6 -72,-0.1 2,-0.3 -0.221 6.6 154.1 -57.4 138.7 39.3 68.3 10.8 218 244 A R E +CD 212 238A 40 20,-1.7 20,-2.7 -6,-0.3 2,-0.3 -0.963 9.6 159.6-162.4 145.8 40.6 65.3 8.8 219 245 A G E -CD 211 237A 2 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.3 -0.997 22.2-152.2-167.2 171.1 41.1 61.7 9.6 220 246 A I E -CD 210 236A 23 16,-2.4 16,-2.6 -2,-0.3 2,-0.4 -0.986 4.3-161.2-152.2 137.7 41.5 58.1 8.7 221 247 A V E +CD 209 235A 0 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.3 -0.989 32.3 170.8-113.2 134.1 40.8 54.7 10.2 222 248 A A E -CD 208 234A 8 12,-2.6 12,-2.6 -2,-0.4 2,-0.4 -0.964 38.8-139.1-145.9 155.2 42.7 51.9 8.6 223 249 A L E +CD 207 233A 1 -16,-2.6 -16,-1.5 -2,-0.3 2,-0.3 -0.980 42.2 163.7-110.6 131.6 43.8 48.3 8.7 224 250 A L E +CD 206 232A 12 8,-2.7 8,-2.6 -2,-0.4 -18,-0.2 -0.988 9.3 139.6-150.5 148.5 47.4 47.9 7.8 225 251 A G E -C 205 0A 0 -20,-1.0 -20,-2.9 -2,-0.3 3,-0.4 -0.876 42.8-104.1 178.1 159.2 50.3 45.5 8.0 226 252 A P S > S+ 0 0 26 0, 0.0 3,-1.1 0, 0.0 -22,-0.2 -0.257 98.1 47.1 -77.0 174.2 53.3 44.1 6.2 227 254 A N T 3 S- 0 0 140 1,-0.2 -23,-0.2 -25,-0.2 3,-0.1 0.783 127.6 -77.8 57.5 28.3 53.1 40.6 4.7 228 255 A N T 3 S+ 0 0 120 -25,-3.4 2,-0.4 -3,-0.4 -1,-0.2 0.796 98.4 129.6 57.7 35.6 49.8 41.4 3.0 229 256 A K < - 0 0 113 -3,-1.1 2,-2.1 -26,-0.3 -24,-0.4 -0.940 69.2-125.1-125.6 139.5 48.0 40.9 6.3 230 257 A A + 0 0 19 -2,-0.4 -5,-0.2 1,-0.2 -204,-0.1 -0.562 53.5 153.5 -78.0 76.6 45.5 43.2 8.1 231 258 A E + 0 0 37 -2,-2.1 -205,-2.9 -5,-0.1 -204,-0.5 0.892 52.0 20.1 -79.9 -39.8 47.7 43.1 11.2 232 259 A R E -AD 25 224A 0 -8,-2.6 -8,-2.7 -3,-0.3 2,-0.5 -0.929 61.7-128.5-139.1 150.8 46.8 46.4 12.9 233 260 A I E -AD 24 223A 1 -209,-3.0 -209,-2.7 -2,-0.3 2,-0.5 -0.869 25.6-167.6 -91.2 130.1 44.2 49.1 13.2 234 261 A V E -AD 23 222A 8 -12,-2.6 -12,-2.6 -2,-0.5 2,-0.5 -0.993 4.2-174.0-118.8 127.1 45.6 52.6 12.8 235 262 A V E +AD 22 221A 0 -213,-2.3 -213,-1.8 -2,-0.5 2,-0.4 -0.989 5.6 174.9-116.3 128.5 43.5 55.7 13.7 236 263 A I E +AD 21 220A 5 -16,-2.6 -16,-2.4 -2,-0.5 2,-0.3 -0.976 2.8 176.8-132.1 120.0 44.7 59.2 13.0 237 264 A Y E -AD 20 219A 1 -217,-2.6 -217,-2.6 -2,-0.4 2,-0.3 -0.925 9.1-165.8-117.1 149.4 42.6 62.3 13.6 238 265 A L E +AD 19 218A 3 -20,-2.7 -20,-1.7 -2,-0.3 2,-0.3 -0.984 13.2 172.5-127.5 141.9 43.4 65.9 13.1 239 266 A R E +A 18 0A 9 -221,-2.1 -221,-2.0 -2,-0.3 -23,-0.1 -0.991 48.9 21.9-147.7 155.1 41.4 68.9 14.5 240 267 A D S S+ 0 0 46 -25,-0.5 -24,-0.2 -26,-0.3 -1,-0.1 0.911 75.2 133.5 58.4 54.8 41.6 72.7 14.8 241 268 A T - 0 0 5 -26,-1.7 -1,-0.2 -224,-0.1 -225,-0.1 -0.995 49.5-152.8-131.0 137.8 44.1 73.7 12.2 242 269 A P + 0 0 120 0, 0.0 -26,-0.1 0, 0.0 -226,-0.1 0.433 58.2 128.5 -83.0 1.3 43.8 76.5 9.6 243 270 A A - 0 0 20 -228,-0.4 -2,-0.1 -28,-0.1 -228,-0.1 -0.080 66.8 -93.8 -62.9 155.6 46.1 74.5 7.2 244 271 A S > - 0 0 52 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.202 32.3-114.8 -58.1 153.1 45.3 73.7 3.6 245 272 A M H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.907 119.0 58.2 -54.9 -41.4 43.7 70.4 2.7 246 273 A A H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 108.2 44.4 -56.6 -45.1 47.0 69.5 0.9 247 274 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 111.4 52.5 -69.8 -39.3 49.0 70.1 4.1 248 275 A R H X S+ 0 0 24 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.932 112.1 46.4 -58.9 -47.5 46.5 68.1 6.3 249 276 A N H X S+ 0 0 67 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.917 113.1 49.5 -58.8 -46.0 46.7 65.2 3.9 250 277 A Q H X S+ 0 0 128 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.832 109.7 50.9 -64.6 -36.5 50.5 65.3 3.7 251 278 A Q H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.901 111.3 46.4 -69.3 -42.6 50.8 65.5 7.5 252 279 A I H X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.914 113.3 51.9 -65.9 -40.8 48.6 62.4 8.0 253 280 A A H X S+ 0 0 62 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.903 109.6 48.4 -58.8 -44.7 50.6 60.8 5.2 254 281 A G H X S+ 0 0 19 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.851 110.7 50.1 -67.8 -36.1 53.9 61.6 7.0 255 282 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 111.9 49.1 -64.3 -43.3 52.6 60.3 10.3 256 283 A G H X S+ 0 0 17 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.936 109.8 51.3 -58.6 -46.6 51.6 57.1 8.4 257 284 A A H X S+ 0 0 43 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.899 109.6 50.2 -57.3 -45.5 55.1 56.9 6.8 258 285 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.914 110.8 48.7 -57.4 -46.2 56.6 57.2 10.3 259 286 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.4 46.5 -64.0 -39.3 54.4 54.4 11.7 260 287 A I H >< S+ 0 0 26 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.928 113.5 45.9 -68.7 -47.7 55.3 52.2 8.7 261 288 A E H 3< S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.861 120.1 41.6 -63.2 -34.0 59.0 52.7 8.8 262 289 A H T 3< S+ 0 0 40 -4,-2.0 -1,-0.3 -5,-0.2 2,-0.2 -0.085 79.4 152.0-110.2 31.5 59.1 52.2 12.6 263 290 A W < - 0 0 43 -3,-1.2 2,-0.2 1,-0.0 -3,-0.1 -0.463 31.9-151.7 -64.9 126.6 56.7 49.3 12.7 264 291 A Q 0 0 131 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 -0.633 360.0 360.0 -99.3 159.1 57.5 47.2 15.8 265 292 A R 0 0 259 -2,-0.2 -1,-0.1 -233,-0.0 -2,-0.0 0.815 360.0 360.0 -73.2 360.0 57.0 43.4 16.2