==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-01 1JHX . COMPND 2 MOLECULE: NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZO . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR C.G.CHEONG,J.ESCALANTE-SEMERENA,I.RAYMENT . 346 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 1 0 0 2 1 1 1 2 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 0 0 0 1 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 4 A L > 0 0 49 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.9 48.5 11.6 14.2 2 5 A H H > + 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.849 360.0 55.6 -74.7 -29.8 46.1 9.7 11.9 3 6 A A H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.962 105.1 52.0 -58.7 -54.7 44.1 9.2 15.0 4 7 A L H 4 S+ 0 0 23 1,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.918 112.5 43.6 -46.3 -56.8 44.0 12.9 15.5 5 8 A L H >< S+ 0 0 44 -4,-1.9 3,-0.9 1,-0.2 -1,-0.3 0.799 112.0 55.3 -63.2 -31.8 42.8 13.6 12.0 6 9 A R H 3< S+ 0 0 173 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.911 104.5 53.3 -66.0 -44.9 40.3 10.8 12.3 7 10 A D T 3< S+ 0 0 64 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.280 71.0 128.5 -79.3 8.3 38.7 12.1 15.4 8 11 A I < - 0 0 16 -3,-0.9 244,-0.2 -4,-0.2 2,-0.1 -0.530 59.3-127.0 -67.2 124.3 37.9 15.7 14.1 9 12 A P - 0 0 36 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.417 10.9-125.2 -76.5 148.3 34.2 16.2 14.8 10 13 A A - 0 0 77 1,-0.1 267,-0.0 -2,-0.1 268,-0.0 -0.508 42.0 -88.8 -82.2 156.1 31.7 17.3 12.3 11 14 A P - 0 0 58 0, 0.0 2,-1.1 0, 0.0 35,-0.2 -0.356 41.1-109.1 -67.9 149.8 29.6 20.4 13.1 12 15 A D > - 0 0 60 33,-3.1 4,-1.9 1,-0.2 5,-0.2 -0.670 32.3-176.1 -82.4 96.4 26.4 19.9 15.0 13 16 A A H > S+ 0 0 72 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.788 81.3 57.7 -63.5 -30.2 23.6 20.6 12.6 14 17 A E H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 107.9 45.6 -67.2 -44.5 21.0 20.1 15.2 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.873 111.6 54.1 -63.6 -38.1 22.4 22.9 17.4 16 19 A M H X S+ 0 0 56 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.881 106.5 51.0 -65.2 -38.4 22.8 25.1 14.3 17 20 A A H X S+ 0 0 64 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.936 110.2 48.7 -65.5 -42.9 19.2 24.7 13.4 18 21 A R H X S+ 0 0 134 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.903 111.4 52.0 -62.9 -37.3 18.1 25.6 16.9 19 22 A T H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.940 108.0 50.3 -64.6 -45.1 20.4 28.6 16.7 20 23 A Q H X S+ 0 0 67 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.936 109.2 50.2 -59.0 -49.3 19.0 29.9 13.5 21 24 A Q H X S+ 0 0 67 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.897 111.4 49.6 -57.4 -41.4 15.5 29.7 14.7 22 25 A H H < S+ 0 0 60 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.915 111.0 49.0 -64.9 -42.6 16.4 31.6 17.8 23 26 A I H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.890 105.4 57.9 -62.9 -41.8 18.1 34.3 15.9 24 27 A D H 3< S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 104.1 53.7 -61.3 -28.3 15.3 34.7 13.5 25 28 A G T 3< S+ 0 0 30 -4,-1.1 313,-1.9 -3,-0.4 314,-0.4 0.400 84.8 114.8 -87.5 2.0 13.0 35.5 16.4 26 29 A L B < S-A 337 0A 0 -3,-1.6 2,-2.3 311,-0.2 311,-0.3 -0.283 86.7 -84.2 -73.9 163.6 15.1 38.3 17.8 27 30 A L S S+ 0 0 75 309,-2.4 -1,-0.1 311,-0.1 309,-0.1 -0.360 100.3 69.0 -64.1 69.5 14.0 42.0 18.0 28 31 A K S S- 0 0 16 -2,-2.3 310,-0.1 -4,-0.2 3,-0.1 -0.961 95.7 -71.9-174.2 164.7 15.0 42.9 14.4 29 32 A P > - 0 0 81 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.511 69.9 -90.8 -69.5 134.1 14.2 42.3 10.8 30 33 A P T 3 S+ 0 0 81 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.229 109.1 5.9 -52.3 133.6 15.2 38.8 9.9 31 34 A G T > S+ 0 0 41 -8,-0.1 3,-1.8 -3,-0.1 6,-0.1 0.332 91.6 124.8 74.3 -1.9 18.7 38.6 8.5 32 35 A S T < + 0 0 59 -3,-2.4 -1,-0.1 1,-0.3 0, 0.0 0.655 67.3 56.6 -62.2 -19.9 19.3 42.3 9.3 33 36 A L T > S- 0 0 59 -4,-0.2 3,-1.9 1,-0.2 4,-0.4 0.288 87.3-177.0 -96.2 11.1 22.4 41.6 11.4 34 37 A G T X> + 0 0 36 -3,-1.8 4,-1.5 1,-0.3 3,-1.0 0.014 63.2 14.3 38.2-115.9 24.0 39.7 8.4 35 38 A R H 3> S+ 0 0 112 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.698 120.7 66.0 -61.3 -23.7 27.4 38.2 9.1 36 39 A L H <> S+ 0 0 51 -3,-1.9 4,-1.6 2,-0.2 -1,-0.3 0.879 104.6 46.3 -66.5 -33.9 26.9 38.6 12.8 37 40 A E H <> S+ 0 0 8 -3,-1.0 4,-1.9 -4,-0.4 -2,-0.2 0.912 112.4 47.8 -74.9 -42.6 24.1 36.0 12.5 38 41 A T H X S+ 0 0 80 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.879 109.9 53.4 -67.6 -34.9 26.0 33.6 10.3 39 42 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.962 108.1 50.3 -63.9 -46.1 28.9 33.8 12.7 40 43 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.883 110.9 48.7 -58.5 -39.8 26.7 32.9 15.6 41 44 A V H X S+ 0 0 19 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.901 109.2 54.5 -69.2 -35.1 25.2 30.0 13.8 42 45 A Q H >< S+ 0 0 42 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.934 108.4 46.9 -63.2 -45.1 28.7 28.8 12.9 43 46 A L H >< S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.873 104.6 62.2 -63.7 -37.9 29.8 28.9 16.5 44 47 A A H 3< S+ 0 0 1 -4,-1.9 7,-0.3 1,-0.3 -1,-0.2 0.808 99.1 55.9 -58.4 -30.5 26.7 27.0 17.6 45 48 A G T << S+ 0 0 0 -4,-1.1 -33,-3.1 -3,-0.6 -1,-0.3 0.594 81.9 103.5 -81.0 -9.2 27.7 24.1 15.5 46 49 A M X - 0 0 4 -3,-1.8 3,-2.6 -4,-0.3 5,-0.4 -0.686 66.0-146.7 -80.7 112.0 31.1 23.7 17.2 47 50 A P G > S+ 0 0 56 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.778 94.1 59.6 -48.3 -37.9 31.0 20.8 19.6 48 51 A G G 3 S+ 0 0 29 206,-1.7 207,-0.1 1,-0.3 206,-0.1 0.556 96.4 67.0 -70.7 -4.7 33.4 22.2 22.2 49 52 A L G X S- 0 0 1 -3,-2.6 3,-0.9 205,-0.3 -1,-0.3 0.328 105.7-120.6 -97.9 1.4 31.0 25.1 22.6 50 53 A N T < - 0 0 127 -3,-1.5 -2,-0.1 1,-0.2 -6,-0.1 0.884 62.9 -58.5 63.7 38.5 28.2 23.2 24.1 51 54 A G T 3 S+ 0 0 16 -5,-0.4 -1,-0.2 -7,-0.3 -7,-0.1 0.539 117.6 72.9 71.2 12.4 25.4 23.9 21.6 52 55 A T S < S- 0 0 31 -3,-0.9 2,-0.6 -6,-0.2 -1,-0.1 -0.977 90.6 -92.8-150.4 157.7 25.3 27.6 21.8 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.661 64.0 146.3 -75.6 118.9 27.5 30.6 20.7 54 57 A Q - 0 0 60 -2,-0.6 2,-0.4 111,-0.1 -3,-0.0 -0.991 37.8-153.0-153.0 155.1 29.7 31.4 23.7 55 58 A V + 0 0 34 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.990 19.0 165.5-133.6 120.4 33.2 32.6 24.5 56 59 A G - 0 0 34 1,-0.5 2,-0.2 -2,-0.4 108,-0.2 0.536 64.3 -8.2 -98.0-111.9 35.0 31.6 27.7 57 60 A E E -b 164 0B 126 106,-2.3 108,-3.1 103,-0.1 109,-1.3 -0.558 68.2-146.7 -87.0 155.9 38.7 32.3 27.9 58 61 A K E -b 166 0B 24 46,-0.4 48,-2.4 106,-0.2 2,-0.4 -0.937 14.5-176.0-123.0 143.5 40.7 33.5 24.9 59 62 A A E -bc 167 106B 1 107,-2.3 109,-1.6 -2,-0.3 2,-0.5 -0.995 16.8-152.8-141.8 146.5 44.2 32.8 23.8 60 63 A V E -bc 168 107B 0 46,-3.0 48,-3.6 -2,-0.4 2,-0.6 -0.978 14.5-155.5-118.4 118.1 46.5 33.8 21.1 61 64 A L E -bc 169 108B 0 107,-2.7 109,-2.4 -2,-0.5 2,-0.6 -0.859 6.7-163.9 -96.8 119.2 49.3 31.3 20.2 62 65 A V E -bc 170 109B 0 46,-3.1 48,-3.4 -2,-0.6 2,-0.5 -0.923 4.4-156.0-109.6 114.1 52.3 32.9 18.6 63 66 A M E -bc 171 110B 0 107,-2.4 109,-1.8 -2,-0.6 2,-0.4 -0.779 13.0-164.9 -91.9 119.1 54.7 30.5 16.8 64 67 A C E +bc 172 111B 0 46,-3.2 48,-2.5 -2,-0.5 49,-1.0 -0.892 20.3 139.0-113.9 136.1 58.2 31.8 16.5 65 68 A A E - c 0 113B 0 107,-2.3 49,-0.3 -2,-0.4 2,-0.2 -0.979 38.7-122.1-169.0 154.4 61.0 30.5 14.3 66 69 A D - 0 0 4 47,-2.4 65,-2.0 -2,-0.3 2,-0.4 -0.635 23.4-141.7-100.0 160.3 63.9 31.5 12.1 67 70 A H B > -g 131 0C 2 107,-0.5 3,-1.6 63,-0.3 4,-0.2 -0.978 14.6-144.5-130.7 135.5 64.4 30.6 8.4 68 71 A G G > S+ 0 0 10 63,-1.0 3,-1.9 -2,-0.4 65,-0.3 0.830 97.8 72.4 -61.7 -32.9 67.5 29.6 6.4 69 72 A V G > >S+ 0 0 3 63,-0.4 3,-2.1 1,-0.3 5,-0.6 0.635 74.2 84.7 -59.8 -12.7 66.0 31.5 3.4 70 73 A W G X 5S+ 0 0 66 -3,-1.6 3,-1.7 1,-0.3 5,-0.4 0.897 79.4 64.6 -56.5 -36.2 66.8 34.7 5.2 71 74 A D G < 5S+ 0 0 111 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.622 84.9 74.7 -63.3 -12.1 70.4 34.4 3.8 72 75 A E G < 5S- 0 0 51 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.345 112.8-112.1 -83.3 5.6 68.9 34.8 0.3 73 76 A G T < 5S+ 0 0 47 -3,-1.7 -2,-0.1 2,-0.1 137,-0.1 0.777 77.0 133.5 70.4 28.4 68.4 38.5 0.9 74 77 A V < + 0 0 4 -5,-0.6 2,-0.3 -4,-0.3 -4,-0.1 0.420 62.6 48.1 -89.1 0.8 64.6 38.3 0.9 75 78 A A - 0 0 21 -5,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.994 55.4-159.0-144.8 136.5 64.1 40.4 4.1 76 79 A V + 0 0 83 124,-0.3 -1,-0.1 -2,-0.3 125,-0.1 0.638 69.3 99.1 -86.8 -15.6 65.4 43.7 5.4 77 80 A S S S- 0 0 32 123,-0.1 -2,-0.1 1,-0.1 123,-0.0 -0.586 86.2-110.4 -72.9 128.0 64.6 42.9 9.0 78 81 A P > - 0 0 77 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.258 24.4-121.2 -56.7 143.2 67.7 41.8 10.8 79 82 A K T > S+ 0 0 45 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.829 107.7 65.3 -56.4 -37.1 67.5 38.1 11.7 80 83 A I T 3> S+ 0 0 109 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.645 78.1 84.5 -64.6 -14.7 67.9 38.7 15.4 81 84 A V H <> S+ 0 0 40 -3,-1.8 4,-3.2 1,-0.2 5,-0.3 0.867 82.5 61.8 -57.8 -32.8 64.6 40.6 15.5 82 85 A T H <> S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.3 -1,-0.2 0.954 108.7 39.9 -56.5 -52.0 62.9 37.2 15.9 83 86 A A H > S+ 0 0 15 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.895 117.1 50.7 -63.8 -42.0 64.6 36.5 19.1 84 87 A I H X S+ 0 0 88 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.934 112.4 45.0 -60.4 -51.5 64.3 40.1 20.3 85 88 A Q H X S+ 0 0 40 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.809 107.6 58.6 -64.1 -35.0 60.5 40.3 19.6 86 89 A A H X S+ 0 0 0 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.923 108.9 45.4 -62.8 -40.4 59.9 36.9 21.2 87 90 A A H >X S+ 0 0 13 -4,-1.7 3,-1.5 1,-0.2 4,-0.7 0.940 109.9 54.4 -65.5 -46.2 61.4 38.3 24.4 88 91 A N H >X>S+ 0 0 39 -4,-2.3 5,-1.4 1,-0.3 3,-0.9 0.826 98.9 63.5 -55.9 -33.3 59.4 41.4 24.0 89 92 A M H ><5S+ 0 0 7 -4,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.850 97.7 56.4 -60.9 -32.7 56.3 39.2 23.8 90 93 A T H <<5S+ 0 0 60 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.717 107.9 47.9 -71.2 -21.1 57.1 38.1 27.3 91 94 A R H <<5S- 0 0 161 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.408 108.5-122.0-100.2 0.5 56.9 41.7 28.5 92 95 A G T <<5S+ 0 0 39 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.709 77.0 118.4 67.8 28.4 53.7 42.6 26.8 93 96 A T < + 0 0 95 -5,-1.4 -4,-0.1 4,-0.1 -1,-0.1 0.469 48.1 97.8-102.2 -4.3 55.0 45.5 24.7 94 97 A T S > S- 0 0 7 -6,-0.4 4,-2.6 -9,-0.1 5,-0.2 -0.320 85.6-105.5 -81.9 169.1 54.3 44.1 21.3 95 98 A G H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 120.6 45.0 -57.8 -51.1 51.4 44.8 18.9 96 99 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 112.1 54.7 -65.1 -34.7 49.7 41.5 19.5 97 100 A C H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 110.0 44.9 -61.2 -46.2 50.3 41.9 23.3 98 101 A V H X S+ 0 0 79 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.916 116.9 44.7 -64.4 -45.1 48.6 45.3 23.4 99 102 A L H X S+ 0 0 53 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.879 111.6 52.3 -69.1 -38.6 45.7 44.2 21.2 100 103 A A H X>S+ 0 0 1 -4,-2.9 5,-2.6 -5,-0.2 4,-0.8 0.942 108.2 51.7 -63.8 -43.9 45.1 40.9 23.1 101 104 A A H ><5S+ 0 0 69 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.925 107.0 53.3 -56.8 -43.3 45.1 42.8 26.4 102 105 A Q H 3<5S+ 0 0 164 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.876 114.5 41.7 -58.7 -36.3 42.4 45.1 24.9 103 106 A A H 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.438 114.5-117.5 -89.7 -3.7 40.4 41.9 24.0 104 107 A G T <<5 + 0 0 50 -3,-1.0 -46,-0.4 -4,-0.8 2,-0.3 0.768 68.4 138.2 71.3 27.8 41.1 40.3 27.4 105 108 A A < - 0 0 13 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.677 50.7-124.6-101.4 156.7 43.0 37.4 25.7 106 109 A K E -c 59 0B 52 -48,-2.4 -46,-3.0 -2,-0.3 2,-0.5 -0.859 18.2-135.0-104.1 139.4 46.2 35.8 26.9 107 110 A V E -c 60 0B 38 -2,-0.4 2,-0.6 -48,-0.2 -46,-0.2 -0.788 12.9-163.4 -94.6 126.4 49.2 35.5 24.6 108 111 A H E -c 61 0B 46 -48,-3.6 -46,-3.1 -2,-0.5 2,-0.6 -0.936 7.8-156.2-109.7 114.9 51.1 32.2 24.5 109 112 A V E -c 62 0B 12 -2,-0.6 14,-2.8 12,-0.3 2,-0.5 -0.814 11.7-171.3 -94.4 120.6 54.6 32.5 22.9 110 113 A I E -cd 63 123B 2 -48,-3.4 -46,-3.2 -2,-0.6 2,-0.8 -0.932 15.7-150.5-118.7 121.6 56.0 29.3 21.5 111 114 A D E +cd 64 124B 2 12,-3.2 14,-2.8 -2,-0.5 -46,-0.2 -0.794 25.6 162.9 -89.1 111.6 59.5 28.9 20.3 112 115 A V E S- 0 0 0 -48,-2.5 15,-2.2 -2,-0.8 16,-0.4 0.384 80.0 -19.4-105.9 -2.4 59.4 26.3 17.5 113 116 A G E S+c 65 0B 0 -49,-1.0 -47,-2.4 13,-0.3 17,-0.8 0.365 71.5 167.2 162.8 42.5 62.8 27.1 16.0 114 117 A I - 0 0 0 -49,-0.3 2,-1.6 -50,-0.3 16,-0.1 -0.515 38.2-129.1 -71.9 137.3 64.3 30.4 16.8 115 118 A D S S+ 0 0 63 14,-0.2 2,-0.3 -2,-0.2 -32,-0.1 -0.587 78.9 67.3 -90.5 76.8 68.0 30.6 15.9 116 119 A A S S- 0 0 17 -2,-1.6 3,-0.1 -34,-0.1 14,-0.1 -0.961 96.3 -58.0-171.3 177.2 69.3 31.9 19.2 117 120 A E S S- 0 0 150 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 -0.328 73.5 -81.3 -68.5 158.3 69.7 30.8 22.8 118 121 A P - 0 0 80 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.280 44.5-133.5 -59.9 145.9 66.5 29.7 24.6 119 122 A I > - 0 0 27 -3,-0.1 3,-1.8 4,-0.1 -8,-0.1 -0.915 17.4-123.1-108.8 122.5 64.4 32.6 25.9 120 123 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -30,-0.1 -0.370 96.6 27.7 -64.6 140.4 63.2 32.4 29.4 121 124 A G T 3 S+ 0 0 74 1,-0.3 2,-0.4 -2,-0.0 -12,-0.3 0.171 96.2 112.5 94.2 -16.9 59.4 32.7 29.7 122 125 A V S < S- 0 0 15 -3,-1.8 -1,-0.3 -14,-0.1 2,-0.3 -0.733 77.3-112.3 -91.3 136.4 58.9 31.3 26.2 123 126 A V E -d 110 0B 43 -14,-2.8 -12,-3.2 -2,-0.4 2,-0.8 -0.505 36.1-134.9 -66.4 126.0 57.3 27.9 25.7 124 127 A N E +d 111 0B 96 -2,-0.3 -12,-0.1 -14,-0.2 -1,-0.1 -0.767 54.7 132.5 -95.6 112.0 60.0 25.7 24.4 125 128 A M + 0 0 23 -14,-2.8 -1,-0.1 -2,-0.8 27,-0.1 -0.109 31.6 165.1-138.2 29.0 59.1 23.4 21.4 126 129 A R - 0 0 55 1,-0.2 -13,-0.3 -13,-0.0 -14,-0.2 -0.291 23.4-173.0 -58.8 129.8 62.1 24.2 19.3 127 130 A V - 0 0 45 -15,-2.2 2,-0.3 1,-0.4 -14,-0.2 0.902 67.9 -32.1 -85.8 -45.1 62.8 21.8 16.5 128 131 A A S S- 0 0 39 -16,-0.4 2,-2.1 0, 0.0 -1,-0.4 -0.949 74.7 -75.9-164.1 169.7 66.1 23.3 15.5 129 132 A R S S- 0 0 135 -2,-0.3 -14,-0.2 -3,-0.1 -15,-0.2 -0.529 106.9 -34.5 -78.8 78.0 68.0 26.6 15.4 130 133 A G S S- 0 0 12 -2,-2.1 -63,-0.3 -17,-0.8 2,-0.1 0.147 82.5 -88.2 84.2 153.5 66.1 27.9 12.3 131 134 A C B -g 67 0C 10 -65,-2.0 -63,-1.0 1,-0.1 9,-0.2 -0.404 52.7 -78.4 -90.2 170.4 64.8 25.7 9.4 132 135 A G - 0 0 32 7,-2.8 2,-0.7 -65,-0.1 -63,-0.4 -0.341 52.3 -96.8 -68.5 151.6 66.7 24.8 6.3 133 136 A N >> - 0 0 29 -65,-0.3 3,-1.8 1,-0.2 4,-0.8 -0.582 31.3-154.5 -71.2 106.9 67.0 27.3 3.4 134 137 A I T 34 S+ 0 0 3 -2,-0.7 -1,-0.2 1,-0.3 87,-0.2 0.689 84.3 75.5 -60.7 -19.2 64.2 26.4 1.1 135 138 A A T 34 S+ 0 0 1 1,-0.2 -1,-0.3 85,-0.1 85,-0.1 0.793 112.0 22.2 -63.8 -27.8 66.0 27.9 -1.8 136 139 A V T <4 S- 0 0 100 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.367 134.3 -21.6-120.9 3.7 68.4 24.9 -2.0 137 140 A G S < S- 0 0 11 -4,-0.8 -1,-0.2 97,-0.1 84,-0.1 -0.974 89.2 -35.9 175.6-173.2 66.5 22.2 -0.2 138 141 A P - 0 0 73 0, 0.0 96,-0.2 0, 0.0 97,-0.2 -0.296 40.1-131.5 -70.1 153.0 63.7 21.3 2.2 139 142 A A S S- 0 0 4 95,-0.9 -7,-2.8 94,-0.9 2,-0.3 0.817 82.7 -32.3 -68.9 -35.6 62.9 23.3 5.2 140 143 A M S S- 0 0 13 93,-2.1 -1,-0.2 -9,-0.2 2,-0.2 -0.953 76.5 -70.6-167.5-177.3 62.9 20.1 7.3 141 144 A S > - 0 0 50 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.526 40.2-116.0 -90.2 157.2 62.2 16.4 7.3 142 145 A R H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 116.7 53.6 -57.0 -39.0 58.7 14.9 7.1 143 146 A L H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 105.7 52.9 -65.0 -40.6 59.1 13.4 10.5 144 147 A Q H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.0 48.6 -61.8 -40.4 60.0 16.7 12.0 145 148 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 112.4 47.5 -63.0 -48.2 56.9 18.2 10.5 146 149 A E H X S+ 0 0 55 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.890 111.0 50.5 -60.8 -44.4 54.6 15.5 11.8 147 150 A A H X S+ 0 0 56 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.930 111.9 47.4 -62.5 -44.0 56.1 15.5 15.3 148 151 A L H X S+ 0 0 7 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.918 109.9 52.8 -64.3 -42.8 55.6 19.3 15.6 149 152 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.937 112.8 46.2 -54.2 -47.7 52.1 19.0 14.3 150 153 A L H X S+ 0 0 66 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.915 113.0 48.0 -60.3 -51.5 51.4 16.5 17.0 151 154 A E H X S+ 0 0 113 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.936 116.0 41.8 -58.5 -51.0 53.0 18.4 19.7 152 155 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.892 111.4 56.3 -65.0 -40.3 51.3 21.7 19.0 153 156 A S H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.901 110.7 45.4 -54.5 -47.4 47.9 20.1 18.4 154 157 A R H X S+ 0 0 62 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.902 110.1 52.4 -64.9 -47.2 48.1 18.5 21.8 155 158 A Y H X S+ 0 0 55 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.909 110.1 51.2 -55.9 -43.0 49.2 21.7 23.5 156 159 A T H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 3,-0.5 0.934 111.2 44.6 -60.4 -51.1 46.3 23.4 21.9 157 160 A a H >X S+ 0 0 31 -4,-2.0 4,-1.3 1,-0.3 3,-0.6 0.861 106.3 61.7 -62.8 -40.4 43.6 20.9 23.0 158 161 A D H 3< S+ 0 0 54 -4,-2.6 4,-0.4 1,-0.3 3,-0.3 0.852 98.0 58.0 -56.5 -35.7 45.1 20.9 26.5 159 162 A L H ><>S+ 0 0 23 -4,-1.3 5,-1.6 -3,-0.5 3,-1.4 0.849 98.7 59.9 -64.9 -32.5 44.3 24.6 26.8 160 163 A A H X<5S+ 0 0 25 -4,-0.9 3,-2.0 -3,-0.6 -1,-0.2 0.888 94.9 62.1 -60.1 -37.8 40.7 23.8 26.1 161 164 A Q T 3<5S+ 0 0 183 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.742 101.9 55.0 -60.4 -18.5 40.8 21.6 29.2 162 165 A R T < 5S- 0 0 78 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.122 129.9 -86.9-103.1 18.9 41.6 24.9 31.1 163 166 A G T < 5S+ 0 0 36 -3,-2.0 -106,-2.3 1,-0.3 2,-0.3 0.383 78.9 141.0 95.1 -6.4 38.6 26.9 29.9 164 167 A V E < +b 57 0B 14 -5,-1.6 -1,-0.3 -108,-0.2 -106,-0.2 -0.564 14.1 164.8 -71.7 130.8 39.9 28.4 26.7 165 168 A T E + 0 0 21 -108,-3.1 2,-0.4 -2,-0.3 -107,-0.2 0.478 59.7 50.3-121.0 -9.1 37.1 28.4 24.1 166 169 A L E -b 58 0B 1 -109,-1.3 -107,-2.3 89,-0.1 2,-0.3 -0.979 65.2-164.5-138.3 122.8 38.5 30.8 21.4 167 170 A F E -be 59 257B 0 89,-2.3 91,-3.1 -2,-0.4 2,-0.3 -0.762 6.3-165.7-108.8 155.6 41.9 30.6 19.8 168 171 A G E -be 60 258B 0 -109,-1.6 -107,-2.7 -2,-0.3 2,-0.4 -0.951 13.1-149.6-132.7 143.4 43.9 33.0 17.8 169 172 A V E +b 61 0B 0 89,-1.4 2,-0.3 -2,-0.3 149,-0.2 -0.944 23.7 155.2-121.7 139.5 46.9 32.1 15.8 170 173 A G E -b 62 0B 0 -109,-2.4 -107,-2.4 -2,-0.4 2,-0.3 -0.959 20.3-144.4-154.0 173.2 50.0 34.2 14.9 171 174 A E E -b 63 0B 16 -2,-0.3 143,-1.0 -109,-0.3 2,-0.3 -0.895 9.3-163.2-142.1 169.9 53.7 34.1 14.0 172 175 A L E +b 64 0B 8 -109,-1.8 -107,-2.3 -2,-0.3 2,-0.2 -0.883 36.6 125.0-155.3 114.4 57.0 35.7 14.4 173 176 A G > - 0 0 4 -2,-0.3 3,-2.0 -109,-0.2 4,-0.2 -0.585 54.1-120.8-177.6 111.2 59.9 34.9 12.0 174 177 A M T 3 S+ 0 0 23 -95,-0.3 -107,-0.5 1,-0.3 -104,-0.2 -0.353 100.3 15.6 -59.2 135.6 62.0 37.2 9.9 175 178 A A T > S+ 0 0 10 -101,-0.1 3,-1.5 -109,-0.1 -1,-0.3 0.442 84.9 129.3 81.1 4.1 61.8 36.3 6.2 176 179 A N T <> + 0 0 9 -3,-2.0 4,-1.9 1,-0.3 5,-0.2 0.671 54.7 73.9 -67.3 -15.8 58.6 34.1 6.7 177 180 A T H 3> S+ 0 0 25 -4,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.710 91.4 62.3 -70.0 -14.8 56.6 35.8 3.9 178 181 A T H <> S+ 0 0 0 -3,-1.5 4,-2.3 2,-0.2 5,-0.2 0.984 106.1 38.4 -73.4 -59.5 58.8 33.9 1.5 179 182 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.894 115.0 58.2 -58.5 -35.6 57.9 30.3 2.4 180 183 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.944 107.0 46.9 -59.6 -44.8 54.3 31.6 2.9 181 184 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.921 109.9 52.9 -62.8 -41.3 54.3 32.7 -0.7 182 185 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.930 110.3 48.0 -59.6 -45.0 55.8 29.4 -2.0 183 186 A M H X S+ 0 0 0 -4,-2.5 4,-3.2 52,-0.3 5,-0.3 0.939 111.8 49.0 -59.9 -49.0 53.1 27.5 -0.2 184 187 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-0.4 0.925 110.7 51.0 -56.9 -46.7 50.3 29.7 -1.6 185 188 A S H X>S+ 0 0 14 -4,-2.9 4,-1.3 -5,-0.2 5,-1.0 0.939 113.5 44.8 -56.7 -47.5 51.7 29.4 -5.0 186 189 A V H <5S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.1 44.9 -64.6 -47.3 51.9 25.6 -4.8 187 190 A F H <5S+ 0 0 32 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.853 123.6 32.6 -69.3 -36.4 48.4 25.2 -3.2 188 191 A T H <5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.476 100.7-124.7 -99.1 -5.6 46.6 27.5 -5.5 189 192 A G T <5 + 0 0 71 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.828 58.8 151.4 65.3 29.8 48.6 26.9 -8.7 190 193 A S < - 0 0 19 -5,-1.0 -1,-0.2 -6,-0.4 -2,-0.1 -0.699 52.2-105.8 -92.7 145.7 49.3 30.7 -8.9 191 194 A D >> - 0 0 81 -2,-0.3 3,-1.1 1,-0.1 4,-0.7 -0.410 29.2-118.1 -67.1 147.6 52.5 32.0 -10.5 192 195 A A H >> S+ 0 0 4 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.821 111.5 64.4 -55.0 -34.6 55.0 33.3 -7.9 193 196 A K H 34 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.896 101.4 53.0 -59.0 -34.6 54.8 36.8 -9.4 194 197 A E H <4 S+ 0 0 100 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.717 116.5 32.8 -72.7 -25.8 51.2 37.0 -8.3 195 198 A V H << S+ 0 0 0 -3,-0.7 97,-0.6 -4,-0.7 2,-0.6 0.454 88.5 103.7-115.5 0.5 51.6 36.1 -4.6 196 199 A V < - 0 0 5 -4,-1.3 2,-0.1 -3,-0.2 15,-0.1 -0.782 50.2-178.7 -89.2 116.5 54.9 37.5 -3.7 197 200 A G - 0 0 4 -2,-0.6 93,-0.1 -20,-0.2 -2,-0.1 -0.352 42.7 -99.1-105.1-174.7 54.6 40.7 -1.6 198 201 A I > - 0 0 47 1,-0.2 4,-2.9 -2,-0.1 92,-0.1 0.571 50.6-171.5 -81.3 -8.4 56.9 43.3 0.0 199 202 A G T 4 + 0 0 8 1,-0.2 2,-1.9 2,-0.2 -1,-0.2 -0.250 68.3 5.1 51.9-130.6 56.5 41.7 3.4 200 203 A A T 4 S- 0 0 57 1,-0.2 -124,-0.3 -123,-0.0 -1,-0.2 -0.523 133.4 -57.2 -86.8 76.8 58.1 43.9 6.1 201 204 A N T 4 S- 0 0 107 -2,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 73.2-178.8 58.8 41.1 58.9 46.9 3.8 202 205 A L < - 0 0 12 -4,-2.9 -1,-0.2 1,-0.1 5,-0.1 -0.530 37.3-106.2 -67.6 131.2 61.1 45.0 1.4 203 206 A P >> - 0 0 67 0, 0.0 3,-0.7 0, 0.0 4,-0.6 -0.298 23.6-121.2 -60.3 140.9 62.3 47.6 -1.2 204 207 A P G >4 S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.804 111.3 59.9 -54.0 -31.0 60.5 47.3 -4.5 205 208 A S G >4 S+ 0 0 103 1,-0.2 3,-0.9 2,-0.1 4,-0.3 0.951 100.3 55.7 -60.1 -48.3 63.8 46.8 -6.3 206 209 A R G <> S+ 0 0 25 -3,-0.7 4,-1.6 1,-0.2 3,-0.3 0.564 83.6 88.8 -63.0 -12.6 64.5 43.6 -4.2 207 210 A I H S+ 0 0 133 -3,-0.9 4,-2.3 -4,-0.5 -1,-0.2 0.900 105.1 48.9 -43.0 -48.0 62.6 40.4 -8.3 209 212 A N H > S+ 0 0 64 -3,-0.3 4,-2.7 -4,-0.3 -1,-0.3 0.912 106.5 55.8 -61.1 -42.0 65.0 38.4 -6.2 210 213 A K H X S+ 0 0 2 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.928 109.0 48.1 -56.4 -43.7 62.2 37.3 -3.8 211 214 A V H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.910 110.3 51.0 -63.0 -43.9 60.3 35.9 -6.8 212 215 A D H X S+ 0 0 33 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.914 109.1 52.2 -58.9 -44.4 63.3 34.1 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.913 108.4 50.0 -59.2 -45.5 63.9 32.6 -4.7 214 217 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.918 111.2 49.4 -61.5 -43.7 60.3 31.3 -4.5 215 218 A R H X S+ 0 0 115 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.923 110.7 48.9 -60.8 -47.6 60.5 29.7 -7.9 216 219 A R H X S+ 0 0 95 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.891 107.2 56.4 -60.2 -41.2 63.8 28.0 -7.1 217 220 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.917 113.1 41.1 -56.3 -45.4 62.4 26.7 -3.9 218 221 A I H X S+ 0 0 36 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.927 115.3 49.0 -68.8 -47.0 59.6 25.1 -5.8 219 222 A A H < S+ 0 0 61 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.952 115.9 43.7 -57.6 -51.6 61.7 23.8 -8.7 220 223 A I H < S+ 0 0 94 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.897 122.2 35.9 -62.8 -44.5 64.3 22.3 -6.4 221 224 A N H < S- 0 0 15 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.746 81.6-154.4 -86.6 -28.3 61.9 20.7 -3.9 222 225 A Q < - 0 0 129 -4,-2.9 -3,-0.1 -5,-0.2 2,-0.1 0.957 19.3-159.3 53.1 57.0 59.0 19.6 -6.1 223 226 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.423 15.9-120.9 -70.3 145.5 56.5 19.7 -3.4 224 227 A N > - 0 0 78 3,-0.2 3,-2.4 1,-0.2 7,-0.5 -0.767 15.4-157.2 -93.6 110.9 53.3 17.7 -3.9 225 228 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.739 92.8 57.4 -55.3 -28.5 50.3 20.0 -3.8 226 229 A R T 3 S+ 0 0 74 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.572 99.7 66.6 -83.5 -4.7 48.0 17.2 -2.9 227 230 A D <> - 0 0 43 -3,-2.4 4,-2.4 1,-0.1 3,-0.4 -0.826 62.0-174.7-120.7 92.8 50.1 16.5 0.2 228 231 A G H > S+ 0 0 1 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.774 88.5 49.9 -55.0 -36.2 50.0 19.3 2.7 229 232 A I H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.864 109.5 54.1 -72.6 -32.4 52.6 17.8 5.0 230 233 A D H > S+ 0 0 22 -3,-0.4 4,-1.9 -6,-0.2 5,-0.3 0.963 111.5 43.7 -61.7 -49.7 54.7 17.4 1.9 231 234 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 -7,-0.5 5,-0.5 0.931 112.7 51.0 -61.3 -51.1 54.4 21.0 1.1 232 235 A L H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.875 112.6 46.2 -54.2 -45.0 54.9 22.3 4.7 233 236 A S H < S+ 0 0 5 -4,-2.2 -93,-2.1 2,-0.2 -94,-0.9 0.854 120.0 38.3 -69.2 -36.3 58.1 20.2 5.2 234 237 A K H < S+ 0 0 53 -4,-1.9 -95,-0.9 -96,-0.2 -2,-0.2 0.949 136.2 9.8 -81.5 -54.1 59.6 21.2 1.9 235 238 A V H < S+ 0 0 0 -4,-2.8 -52,-0.3 -5,-0.3 -3,-0.2 0.271 114.9 73.6-116.9 12.5 58.8 24.8 1.4 236 239 A G < - 0 0 0 -4,-1.2 2,-0.3 -5,-0.5 -102,-0.2 0.173 68.7-126.5 -99.0-143.0 57.3 25.8 4.7 237 240 A G > - 0 0 0 1,-0.1 4,-2.6 -58,-0.1 5,-0.2 -0.968 30.3 -94.6-162.3 168.6 58.9 26.6 8.1 238 241 A F H > S+ 0 0 4 -172,-0.3 4,-2.9 -2,-0.3 5,-0.1 0.877 124.8 51.4 -59.7 -40.1 58.6 25.6 11.8 239 242 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 110.4 47.4 -63.1 -44.5 56.4 28.6 12.4 240 243 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 112.5 51.1 -61.1 -44.2 54.0 27.6 9.5 241 244 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.973 109.5 49.7 -58.8 -52.3 54.0 24.1 10.8 242 245 A G H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.888 108.6 52.1 -55.0 -44.9 53.1 25.2 14.3 243 246 A M H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.930 109.7 50.1 -58.9 -43.7 50.2 27.5 13.0 244 247 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 108.2 53.7 -58.5 -43.8 48.8 24.5 11.1 245 248 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.828 104.5 54.3 -62.2 -33.2 49.1 22.4 14.3 246 249 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.936 109.9 48.3 -64.9 -42.2 47.0 25.0 16.2 247 250 A M H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.890 112.7 46.2 -63.3 -43.4 44.3 24.7 13.6 248 251 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 113.5 50.6 -68.7 -38.5 44.3 20.9 13.7 249 252 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.894 110.5 47.0 -63.6 -46.1 44.3 21.0 17.5 250 253 A A H <>S+ 0 0 0 -4,-2.7 5,-3.6 2,-0.2 -1,-0.2 0.893 113.0 50.6 -63.8 -41.2 41.4 23.4 17.8 251 254 A A H ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.934 109.0 49.7 -63.3 -47.1 39.4 21.5 15.3 252 255 A R H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.897 112.2 48.8 -57.7 -39.2 40.0 18.2 17.0 253 256 A a T 3<5S- 0 0 37 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.461 117.0-120.1 -78.6 -2.6 38.9 19.8 20.2 254 257 A G T < 5 + 0 0 0 -3,-1.8 -206,-1.7 1,-0.2 -205,-0.3 0.789 68.8 131.4 66.4 33.1 35.8 21.1 18.3 255 258 A L < - 0 0 6 -5,-3.6 -1,-0.2 -207,-0.1 2,-0.2 -0.810 57.7-102.5-118.8 158.1 36.7 24.8 19.0 256 259 A P - 0 0 3 0, 0.0 -89,-2.3 0, 0.0 2,-0.4 -0.495 26.2-162.5 -81.4 147.3 37.0 27.9 16.8 257 260 A V E -ef 167 282B 0 24,-2.1 26,-2.3 -2,-0.2 2,-0.5 -0.995 11.3-142.9-129.3 127.0 40.2 29.5 15.6 258 261 A L E -ef 168 283B 0 -91,-3.1 -89,-1.4 -2,-0.4 60,-0.1 -0.773 18.8-140.6 -90.7 126.8 40.6 33.0 14.4 259 262 A L - 0 0 0 24,-2.7 27,-0.2 -2,-0.5 -89,-0.0 -0.252 11.0-158.0 -73.2 169.4 43.1 33.4 11.5 260 263 A D - 0 0 2 1,-0.4 26,-0.6 25,-0.1 25,-0.5 0.352 42.2 -49.7-113.8-112.0 45.4 36.4 11.2 261 264 A G S > S- 0 0 8 26,-0.1 4,-2.0 24,-0.1 -1,-0.4 -0.046 83.2 -40.9-110.4-148.8 47.0 37.5 8.0 262 265 A F H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.841 130.3 51.6 -49.3 -51.0 48.9 36.1 5.0 263 266 A L H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 112.3 48.6 -57.1 -43.5 51.1 33.8 6.9 264 267 A S H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.862 106.3 55.6 -67.7 -33.6 48.1 32.4 8.6 265 268 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.919 105.8 52.8 -63.7 -40.6 46.2 31.9 5.3 266 269 A S H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.915 110.7 47.0 -56.7 -48.0 49.2 29.8 4.0 267 270 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.832 109.5 54.4 -64.1 -34.5 48.9 27.6 7.1 268 271 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.900 103.7 54.0 -70.0 -37.0 45.2 27.3 6.7 269 272 A L H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.947 111.4 47.2 -59.3 -43.6 45.5 26.1 3.1 270 273 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.945 111.7 49.5 -62.4 -48.2 47.8 23.4 4.4 271 274 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 7,-0.2 0.908 111.7 48.0 -60.0 -42.4 45.5 22.4 7.2 272 275 A C H < S+ 0 0 26 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.806 111.1 52.0 -69.3 -26.7 42.5 22.2 4.9 273 276 A Q H < S+ 0 0 89 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.843 113.7 43.3 -74.0 -37.4 44.5 20.1 2.5 274 277 A I H < S+ 0 0 32 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.856 136.8 6.7 -75.1 -38.9 45.5 17.8 5.3 275 278 A A >< - 0 0 8 -4,-2.8 3,-2.1 -5,-0.2 4,-0.3 -0.796 56.2-168.9-152.7 101.3 42.1 17.6 6.8 276 279 A P G > S+ 0 0 98 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.765 86.2 75.6 -60.3 -26.7 39.1 19.3 5.2 277 280 A A G 3 S+ 0 0 43 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.603 83.8 69.8 -59.6 -13.9 37.2 18.6 8.3 278 281 A V G X S+ 0 0 0 -3,-2.1 3,-2.1 -7,-0.2 4,-0.5 0.820 77.9 80.5 -72.9 -33.2 39.2 21.6 9.7 279 282 A R G X S+ 0 0 74 -3,-1.5 3,-1.8 -4,-0.3 -1,-0.2 0.814 81.8 56.9 -44.0 -53.6 37.4 24.2 7.6 280 283 A P G 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.628 102.9 59.2 -61.7 -12.3 34.3 24.8 9.5 281 284 A Y G < S+ 0 0 0 -3,-2.1 -24,-2.1 -4,-0.2 2,-0.3 0.627 86.8 95.7 -89.7 -15.3 36.3 25.7 12.6 282 285 A L E < -f 257 0B 1 -3,-1.8 -24,-0.2 -4,-0.5 -35,-0.0 -0.579 50.0-173.2 -82.7 139.8 38.2 28.6 10.9 283 286 A I E -f 258 0B 0 -26,-2.3 -24,-2.7 -2,-0.3 19,-0.0 -0.994 19.6-134.6-131.5 121.6 37.1 32.2 11.3 284 287 A P - 0 0 10 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.344 18.3-174.0 -72.0 158.3 38.8 34.9 9.2 285 288 A S - 0 0 0 -25,-0.5 21,-2.1 1,-0.4 20,-1.1 0.631 55.6 -5.9-113.1 -77.6 39.8 38.1 11.0 286 289 A H B -h 306 0D 3 -26,-0.6 2,-0.9 19,-0.2 -1,-0.4 -0.722 63.2-106.7-123.3 172.3 41.1 40.7 8.7 287 290 A F - 0 0 68 19,-2.5 22,-0.5 -2,-0.2 21,-0.3 -0.814 43.3-136.4 -99.8 94.6 42.1 41.3 5.1 288 291 A S - 0 0 7 -2,-0.9 23,-0.2 -28,-0.2 5,-0.2 -0.162 7.2-132.9 -51.8 139.9 45.9 41.4 5.0 289 292 A A + 0 0 53 21,-2.6 2,-0.2 4,-0.1 -1,-0.1 0.400 69.8 120.1 -75.9 5.5 47.7 44.1 3.0 290 293 A E S > S- 0 0 17 20,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.523 73.3-121.6 -74.0 138.9 50.0 41.5 1.6 291 294 A K T > S+ 0 0 130 1,-0.3 3,-0.6 -2,-0.2 4,-0.3 0.851 108.3 48.5 -46.1 -49.5 49.8 41.1 -2.3 292 295 A G T 3> S+ 0 0 0 -97,-0.6 4,-2.1 1,-0.2 -1,-0.3 0.398 82.8 100.7 -79.9 7.1 48.9 37.4 -2.4 293 296 A A H <> S+ 0 0 1 -3,-1.9 4,-2.7 1,-0.2 5,-0.3 0.925 76.6 53.0 -57.5 -48.7 46.1 37.8 0.2 294 297 A R H <> S+ 0 0 57 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.2 0.890 111.6 45.4 -55.4 -43.8 43.2 37.9 -2.3 295 298 A I H > S+ 0 0 39 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.952 113.4 48.6 -65.9 -50.9 44.2 34.6 -4.0 296 299 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.907 113.8 47.3 -55.4 -44.9 44.8 32.8 -0.7 297 300 A L H X>S+ 0 0 5 -4,-2.7 5,-2.4 2,-0.2 4,-0.7 0.862 108.4 55.4 -65.2 -38.1 41.5 33.9 0.7 298 301 A A H ><5S+ 0 0 64 -4,-2.0 3,-0.8 -5,-0.3 -1,-0.2 0.910 106.8 50.5 -63.5 -40.9 39.6 33.0 -2.5 299 302 A H H 3<5S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.815 112.0 46.9 -67.9 -26.8 41.0 29.5 -2.3 300 303 A L H 3<5S- 0 0 10 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.514 106.3-130.9 -87.8 -7.9 39.8 29.3 1.3 301 304 A S T <<5 + 0 0 103 -3,-0.8 2,-0.4 -4,-0.7 -3,-0.2 0.920 59.8 143.2 57.1 45.4 36.4 30.8 0.3 302 305 A M < - 0 0 17 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.942 41.3-164.6-122.2 143.0 36.7 33.2 3.1 303 306 A E - 0 0 58 -2,-0.4 -16,-0.1 -3,-0.1 -5,-0.0 -0.935 25.0-135.5-124.1 104.5 35.7 36.9 3.3 304 307 A P - 0 0 7 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.139 2.5-140.8 -60.0 157.4 37.3 38.7 6.3 305 308 A Y S S+ 0 0 51 -20,-1.1 2,-0.4 -21,-0.1 -19,-0.2 0.817 80.6 63.3 -82.2 -36.7 35.4 41.0 8.5 306 309 A L B -h 286 0D 34 -21,-2.1 -19,-2.5 11,-0.0 2,-0.7 -0.857 53.8-169.8-103.0 128.3 38.0 43.7 9.0 307 310 A H + 0 0 139 -2,-0.4 -19,-0.1 -21,-0.2 -21,-0.1 -0.892 37.3 134.1-113.2 93.4 39.6 45.9 6.3 308 311 A M - 0 0 102 -2,-0.7 -1,-0.1 -21,-0.3 3,-0.1 0.381 64.8-123.8-122.8 0.9 42.5 47.6 8.1 309 312 A A + 0 0 75 -22,-0.5 2,-0.2 1,-0.2 -21,-0.1 0.788 54.6 164.7 55.4 33.6 45.4 47.3 5.7 310 313 A M + 0 0 39 -23,-0.2 -21,-2.6 1,-0.1 -20,-0.3 -0.479 23.9 161.0 -82.8 151.1 47.4 45.6 8.4 311 314 A R + 0 0 130 -23,-0.2 -1,-0.1 -2,-0.2 -23,-0.0 0.037 42.6 105.9-156.7 30.3 50.5 43.6 7.7 312 315 A L - 0 0 104 1,-0.2 2,-0.2 -112,-0.0 -217,-0.0 0.896 56.6-166.0 -81.9 -39.7 52.2 43.3 11.0 313 316 A G > + 0 0 13 1,-0.1 3,-2.0 -141,-0.1 -1,-0.2 -0.640 46.5 119.3 87.8-148.4 51.5 39.6 11.8 314 317 A E T 3 S- 0 0 7 -143,-1.0 -144,-0.1 1,-0.3 -1,-0.1 0.409 108.4 -70.6 67.9 -4.2 52.0 38.2 15.3 315 318 A G T 3> S+ 0 0 0 -146,-0.1 4,-2.1 -144,-0.1 -1,-0.3 0.596 97.6 136.3 94.3 11.2 48.4 37.4 15.6 316 319 A S H <> S+ 0 0 2 -3,-2.0 4,-1.9 1,-0.2 5,-0.1 0.881 71.3 47.2 -61.6 -40.1 47.4 41.1 15.8 317 320 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 109.6 55.2 -68.9 -38.1 44.5 40.8 13.4 318 321 A A H > S+ 0 0 0 -149,-0.2 4,-0.8 1,-0.2 3,-0.4 0.941 109.3 46.3 -58.2 -47.7 43.2 37.8 15.3 319 322 A A H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.896 109.1 55.6 -62.0 -42.4 43.2 39.7 18.6 320 323 A L H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.813 107.0 50.1 -62.9 -29.7 41.5 42.6 17.0 321 324 A A H >X S+ 0 0 1 -4,-1.6 3,-1.5 -3,-0.4 4,-1.4 0.651 84.3 89.3 -85.8 -12.9 38.6 40.4 15.8 322 325 A M H S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.811 101.2 57.5 -61.4 -27.3 35.4 41.4 20.1 324 327 A I H <> S+ 0 0 40 -3,-1.5 4,-2.0 -4,-0.2 -2,-0.2 0.928 104.6 50.0 -68.3 -44.5 33.4 40.6 17.0 325 328 A V H X S+ 0 0 2 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.925 111.2 49.1 -58.3 -45.0 33.1 37.0 18.1 326 329 A E H X S+ 0 0 70 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 106.5 58.4 -63.2 -34.9 31.9 38.2 21.5 327 330 A A H X S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.895 102.7 51.7 -60.1 -44.0 29.5 40.5 19.8 328 331 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.850 111.6 47.7 -63.2 -32.8 27.8 37.7 18.0 329 332 A C H X S+ 0 0 11 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.916 111.0 50.3 -72.5 -42.5 27.3 35.8 21.3 330 333 A A H X S+ 0 0 46 -4,-2.4 4,-3.4 1,-0.2 5,-0.4 0.899 110.6 50.0 -60.0 -44.3 26.0 38.9 23.0 331 334 A M H X S+ 0 0 9 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.957 111.5 49.1 -58.1 -51.2 23.5 39.4 20.3 332 335 A F H < S+ 0 0 19 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.859 122.8 30.4 -58.1 -42.6 22.4 35.8 20.5 333 336 A H H < S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.760 122.5 40.6 -94.2 -27.6 22.0 35.8 24.2 334 337 A N H < S+ 0 0 128 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.651 83.5 97.2-104.5 -11.1 21.0 39.2 25.1 335 338 A M < - 0 0 62 -4,-1.6 2,-0.0 -5,-0.4 -4,-0.0 -0.477 68.9-120.7 -76.0 154.5 18.6 40.6 22.6 336 339 A G - 0 0 36 -2,-0.1 -309,-2.4 -309,-0.1 2,-0.4 -0.164 30.1-101.9 -79.3 179.5 14.8 40.5 23.3 337 340 A E B >> -A 26 0A 94 -311,-0.3 4,-0.8 1,-0.1 3,-0.6 -0.874 7.6-133.6-115.6 143.0 12.2 38.8 21.0 338 341 A L G >4>S+ 0 0 26 -313,-1.9 5,-2.4 -2,-0.4 3,-1.4 0.887 107.1 56.2 -48.8 -51.4 9.8 40.1 18.5 339 342 A A G >45S+ 0 0 79 -314,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.843 100.2 58.4 -53.7 -41.2 7.0 38.0 19.9 340 343 A A G <45S+ 0 0 77 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.715 109.7 44.3 -64.0 -23.2 7.4 39.5 23.4 341 344 A S G <<5S- 0 0 62 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.380 114.3-117.5-101.1 1.2 6.8 43.0 21.9 342 345 A N T < 5 + 0 0 141 -3,-1.2 2,-0.6 -4,-0.4 -3,-0.2 0.734 60.0 158.4 69.3 20.5 3.9 41.7 19.9 343 346 A I < - 0 0 77 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.689 19.9-172.2 -83.3 119.9 5.8 42.6 16.8 344 347 A V - 0 0 132 -2,-0.6 -5,-0.0 -3,-0.1 -1,-0.0 -0.956 3.2-175.3-116.4 121.6 4.6 40.8 13.7 345 348 A L 0 0 82 -2,-0.5 -2,-0.0 1,-0.0 -7,-0.0 -0.881 360.0 360.0-113.0 145.8 6.4 41.0 10.4 346 349 A P 0 0 178 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.380 360.0 360.0 -60.9 360.0 5.2 39.4 7.2