==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 16-FEB-07 2OWT . COMPND 2 MOLECULE: PUTATIVE IRON BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS TOHAMA I; . AUTHOR S.A.L.TOM-YEW,M.E.P.MURPHY . 315 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 2 0 4 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 3 1 1 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 PARALLEL BRIDGES PER LADDER . 1 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 5 A S 0 0 147 0, 0.0 242,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -17.1 -18.6 39.2 -7.8 2 6 A D + 0 0 109 26,-0.1 27,-1.9 0, 0.0 2,-0.2 0.663 360.0 25.7-105.9 -21.2 -16.3 38.8 -10.9 3 7 A E E -a 29 0A 67 25,-0.2 2,-0.3 27,-0.0 27,-0.2 -0.775 48.0-156.4-138.3 178.6 -14.4 35.5 -10.7 4 8 A V E -a 30 0A 0 25,-1.7 27,-3.2 -2,-0.2 2,-0.5 -0.956 17.1-137.4-156.5 143.8 -14.3 31.9 -9.4 5 9 A S E -a 31 0A 13 46,-0.3 49,-2.4 -2,-0.3 48,-1.7 -0.939 12.9-162.8-112.6 128.5 -11.4 29.5 -8.8 6 10 A L E -ab 32 54A 0 25,-3.1 27,-2.9 -2,-0.5 2,-0.5 -0.940 4.4-169.6-110.6 125.8 -11.4 25.9 -9.8 7 11 A Y E +ab 33 55A 8 47,-2.7 49,-2.8 -2,-0.5 2,-0.3 -0.968 27.2 159.0-105.6 126.4 -9.0 23.3 -8.4 8 12 A T E -ab 34 56A 0 25,-2.5 27,-2.2 -2,-0.5 49,-0.2 -0.992 52.7-147.0-151.5 155.4 -9.2 20.0 -10.2 9 13 A T + 0 0 26 47,-1.6 48,-0.1 -2,-0.3 25,-0.1 0.346 69.2 121.1 -94.7 1.9 -7.5 16.7 -11.1 10 14 A R S S- 0 0 5 46,-0.4 25,-0.1 1,-0.1 -2,-0.1 -0.250 76.7-100.7 -67.4 151.2 -9.2 16.9 -14.5 11 15 A E > - 0 0 55 1,-0.1 3,-1.2 3,-0.1 4,-0.2 -0.581 31.6-131.5 -64.4 128.1 -7.4 16.9 -17.8 12 16 A P G >> S+ 0 0 62 0, 0.0 4,-3.3 0, 0.0 3,-1.6 0.889 107.9 52.8 -49.8 -46.1 -7.4 20.6 -19.0 13 17 A K G 34 S+ 0 0 131 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.701 108.0 55.4 -65.7 -16.1 -8.7 19.7 -22.5 14 18 A L G <4 S+ 0 0 2 -3,-1.2 -1,-0.3 2,-0.1 -3,-0.1 0.340 124.0 19.3 -98.6 2.3 -11.5 17.8 -20.7 15 19 A I T X> S+ 0 0 0 -3,-1.6 4,-1.4 -4,-0.2 3,-1.1 0.537 104.3 78.5-136.2 -32.3 -12.8 20.7 -18.7 16 20 A Q H 3X S+ 0 0 61 -4,-3.3 4,-2.8 1,-0.2 3,-0.4 0.861 87.6 59.7 -52.9 -46.6 -11.5 24.0 -20.3 17 21 A P H 3> S+ 0 0 64 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.798 110.0 42.8 -57.8 -28.6 -14.1 24.1 -23.2 18 22 A L H <> S+ 0 0 2 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.723 110.9 53.5 -91.7 -18.5 -17.0 24.3 -20.7 19 23 A L H X S+ 0 0 1 -4,-1.4 4,-2.8 -3,-0.4 5,-0.2 0.871 110.7 49.6 -70.3 -41.4 -15.3 26.7 -18.4 20 24 A D H X S+ 0 0 91 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.915 111.8 47.6 -56.5 -47.4 -14.8 28.9 -21.5 21 25 A A H X S+ 0 0 30 -4,-1.4 4,-1.6 -5,-0.2 -2,-0.2 0.883 112.3 49.9 -65.5 -39.4 -18.5 28.4 -22.3 22 26 A F H X S+ 0 0 4 -4,-1.9 4,-3.2 2,-0.2 5,-0.4 0.944 112.0 46.6 -60.0 -52.7 -19.5 29.3 -18.7 23 27 A A H X S+ 0 0 33 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.919 113.0 49.8 -57.9 -45.4 -17.3 32.5 -18.7 24 28 A K H < S+ 0 0 196 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 118.3 40.3 -63.0 -31.0 -18.8 33.5 -22.1 25 29 A D H < S+ 0 0 125 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.856 127.8 28.8 -82.5 -38.9 -22.3 32.9 -20.8 26 30 A S H < S- 0 0 46 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.762 91.3-126.1 -97.3 -32.9 -21.9 34.3 -17.3 27 31 A G < + 0 0 68 -4,-2.7 2,-0.6 -5,-0.4 -4,-0.2 0.541 69.3 131.5 86.8 8.6 -19.3 37.0 -17.5 28 32 A I - 0 0 18 -6,-0.4 -1,-0.3 -5,-0.2 -25,-0.2 -0.867 54.9-136.8-102.2 117.7 -17.5 35.2 -14.7 29 33 A K E -a 3 0A 126 -27,-1.9 -25,-1.7 -2,-0.6 2,-0.7 -0.513 13.1-144.5 -70.2 133.3 -13.8 34.5 -15.1 30 34 A V E -a 4 0A 23 -2,-0.2 2,-0.2 -27,-0.2 -25,-0.2 -0.897 8.9-159.2-104.6 106.5 -12.7 31.0 -14.1 31 35 A N E -a 5 0A 39 -27,-3.2 -25,-3.1 -2,-0.7 2,-0.4 -0.619 20.2-152.2 -79.1 150.8 -9.2 30.9 -12.5 32 36 A T E -a 6 0A 53 -2,-0.2 2,-0.4 -27,-0.2 -25,-0.2 -0.970 26.8-177.0-143.1 130.5 -7.9 27.5 -12.7 33 37 A V E -a 7 0A 32 -27,-2.9 -25,-2.5 -2,-0.4 2,-0.4 -0.959 14.5-164.5-130.4 114.2 -5.5 25.2 -10.8 34 38 A F E -a 8 0A 58 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.803 9.1-175.6 -99.1 143.9 -4.8 21.8 -12.2 35 39 A V - 0 0 21 -27,-2.2 3,-0.1 -2,-0.4 4,-0.1 -0.973 30.8-143.4-141.8 140.1 -3.2 19.1 -10.1 36 40 A K S S- 0 0 192 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.879 82.0 -46.1 -69.9 -36.7 -2.0 15.6 -10.8 37 41 A D S S+ 0 0 120 -3,-0.1 -1,-0.3 -29,-0.1 -29,-0.0 -0.904 103.1 85.1-174.9-176.9 -3.1 14.5 -7.3 38 42 A G > + 0 0 26 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 0.798 43.0 153.0 70.7 31.7 -2.9 15.7 -3.7 39 43 A L H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.865 73.1 50.2 -61.4 -38.6 -5.9 18.0 -3.9 40 44 A L H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.875 109.4 52.0 -68.1 -35.5 -6.6 17.6 -0.2 41 45 A E H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.903 111.6 45.4 -68.6 -41.0 -3.0 18.5 0.7 42 46 A R H X S+ 0 0 104 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.925 114.9 46.4 -70.0 -42.6 -2.9 21.7 -1.4 43 47 A V H X S+ 0 0 4 -4,-2.0 4,-0.9 2,-0.2 3,-0.2 0.926 117.0 43.3 -64.0 -47.7 -6.3 22.9 -0.1 44 48 A R H < S+ 0 0 106 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.873 111.4 54.7 -67.3 -35.9 -5.5 22.2 3.6 45 49 A A H < S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.792 105.9 52.9 -67.4 -27.0 -2.0 23.6 3.3 46 50 A E H >< S+ 0 0 59 -4,-1.3 3,-0.8 -3,-0.2 -1,-0.2 0.705 94.2 179.4 -80.0 -22.7 -3.4 26.9 1.9 47 51 A G G >< - 0 0 14 -4,-0.9 3,-1.9 -3,-0.4 -1,-0.2 -0.097 50.7 -10.3 66.0-152.1 -5.7 27.1 4.9 48 52 A D G 3 S+ 0 0 104 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.724 135.2 51.7 -52.6 -32.2 -8.2 29.9 5.8 49 53 A K G < S+ 0 0 187 -3,-0.8 -1,-0.3 192,-0.0 -2,-0.2 0.293 76.4 135.5 -96.8 5.2 -6.9 32.2 3.0 50 54 A S < - 0 0 8 -3,-1.9 -7,-0.0 -7,-0.2 -3,-0.0 -0.342 50.7-146.3 -53.9 130.5 -7.1 29.6 0.2 51 55 A P + 0 0 62 0, 0.0 -46,-0.3 0, 0.0 192,-0.2 0.571 56.6 128.8 -72.1 -13.2 -8.6 31.1 -3.0 52 56 A A + 0 0 1 1,-0.1 -46,-0.1 189,-0.1 191,-0.1 -0.169 22.5 162.1 -52.8 130.4 -10.3 27.7 -3.9 53 57 A D + 0 0 0 -48,-1.7 185,-1.8 1,-0.4 2,-0.4 0.700 66.7 29.7-111.2 -50.7 -14.0 28.0 -4.7 54 58 A V E -bC 6 237A 0 -49,-2.4 -47,-2.7 183,-0.2 2,-0.5 -0.940 63.0-160.8-118.2 136.9 -14.8 24.7 -6.5 55 59 A L E -bC 7 236A 0 181,-3.0 181,-2.0 -2,-0.4 2,-0.5 -0.982 14.2-171.9-118.7 121.6 -13.0 21.4 -6.0 56 60 A M E +bC 8 235A 0 -49,-2.8 -47,-1.6 -2,-0.5 -46,-0.4 -0.957 6.1 176.3-124.8 127.3 -13.4 18.9 -8.8 57 61 A T E - C 0 234A 1 177,-2.4 177,-1.9 -2,-0.5 3,-0.1 -0.687 32.8-140.1-116.8 168.8 -12.4 15.3 -8.9 58 62 A V S S+ 0 0 9 175,-0.2 2,-0.3 -2,-0.2 175,-0.2 -0.163 87.6 56.5-116.8 37.8 -12.7 12.4 -11.4 59 63 A D S > S- 0 0 2 175,-0.1 4,-1.8 1,-0.1 175,-0.1 -0.918 71.5-138.3-165.8 135.5 -13.3 9.8 -8.6 60 64 A I H > S+ 0 0 1 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.932 106.7 55.6 -64.4 -46.2 -15.9 9.5 -5.9 61 65 A G H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.950 108.4 46.8 -45.6 -60.8 -13.2 8.4 -3.4 62 66 A N H > S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.869 111.8 53.1 -48.6 -42.5 -11.1 11.5 -4.1 63 67 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.872 109.1 47.5 -63.9 -41.2 -14.2 13.6 -3.6 64 68 A I H X S+ 0 0 14 -4,-2.4 4,-2.8 -3,-0.4 5,-0.3 0.763 102.3 62.4 -78.6 -26.1 -15.0 12.0 -0.3 65 69 A D H X S+ 0 0 39 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.870 108.2 46.2 -54.9 -38.7 -11.5 12.5 1.0 66 70 A L H <>S+ 0 0 2 -4,-1.1 5,-1.7 -5,-0.2 6,-0.4 0.932 115.6 43.0 -73.6 -47.5 -12.2 16.2 0.5 67 71 A V H ><5S+ 0 0 29 -4,-1.8 3,-1.4 1,-0.2 5,-0.4 0.964 122.0 39.0 -60.5 -56.1 -15.6 16.2 2.2 68 72 A N H 3<5S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.622 108.2 66.2 -72.0 -14.3 -14.5 13.9 5.1 69 73 A G T 3<5S- 0 0 34 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.458 111.3-119.8 -84.0 -4.5 -11.2 15.8 5.2 70 74 A G T < 5S+ 0 0 51 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.602 82.8 112.6 82.5 12.7 -13.0 19.0 6.3 71 75 A V < + 0 0 0 -5,-1.7 168,-2.5 168,-0.1 169,-0.3 0.301 64.3 71.4-102.9 11.3 -12.1 21.2 3.4 72 76 A T E -D 238 0A 24 -6,-0.4 2,-0.3 -5,-0.4 166,-0.2 -0.715 59.5-154.1-117.1 170.5 -15.6 21.5 1.9 73 77 A Q E -D 237 0A 59 164,-2.3 164,-0.7 -2,-0.2 167,-0.0 -0.960 33.9 -88.9-137.8 159.1 -18.9 23.2 2.8 74 78 A K - 0 0 88 -2,-0.3 2,-0.4 162,-0.1 20,-0.2 -0.318 35.1-135.0 -71.0 149.8 -22.6 22.4 1.9 75 79 A I - 0 0 4 18,-2.7 2,-0.6 17,-0.2 20,-0.1 -0.868 8.9-160.0-105.3 135.4 -24.2 23.8 -1.3 76 80 A Q + 0 0 139 -2,-0.4 2,-0.3 4,-0.0 17,-0.0 -0.914 34.7 140.7-117.5 102.8 -27.8 25.2 -1.3 77 81 A S > - 0 0 13 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.881 41.9-161.1-154.1 111.0 -29.1 25.2 -4.8 78 82 A Q H > S+ 0 0 170 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.795 97.1 54.4 -56.5 -34.5 -32.6 24.4 -6.2 79 83 A T H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.941 111.9 40.3 -69.7 -50.8 -31.1 23.8 -9.7 80 84 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.869 115.8 54.6 -63.4 -38.1 -28.5 21.2 -8.6 81 85 A D H < S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.844 113.7 38.9 -64.8 -39.0 -31.1 19.7 -6.2 82 86 A S H < S+ 0 0 93 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.851 123.4 40.5 -82.2 -32.4 -33.8 19.2 -8.9 83 87 A V H < S+ 0 0 25 -4,-2.2 191,-0.2 -5,-0.2 -2,-0.2 0.907 98.0 72.7 -84.4 -47.2 -31.3 18.1 -11.7 84 88 A V S < S- 0 0 1 -4,-2.4 189,-0.1 -5,-0.2 5,-0.1 -0.607 88.0-112.9 -81.5 123.9 -28.8 15.8 -10.0 85 89 A P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 12,-0.2 -0.188 19.8-123.4 -54.7 142.8 -30.2 12.3 -9.1 86 90 A A G > S+ 0 0 76 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.649 111.9 58.9 -66.5 -17.6 -30.4 11.6 -5.4 87 91 A N G 3 S+ 0 0 121 1,-0.2 208,-0.5 208,-0.0 209,-0.3 0.461 106.0 50.6 -84.8 -1.8 -28.2 8.5 -5.8 88 92 A L G < S+ 0 0 15 -3,-2.2 9,-2.2 206,-0.1 2,-0.3 -0.147 104.4 59.0-128.6 37.0 -25.4 10.7 -7.3 89 93 A R B < S-E 96 0A 57 -3,-0.5 7,-0.2 7,-0.2 2,-0.2 -0.949 79.7-101.6-155.4 164.8 -25.1 13.5 -4.7 90 94 A G > - 0 0 6 5,-3.1 3,-1.1 -2,-0.3 5,-0.2 -0.633 49.8 -86.8 -91.0 154.9 -24.3 14.0 -1.0 91 95 A A G > S+ 0 0 79 1,-0.2 3,-1.0 -2,-0.2 -1,-0.1 -0.313 110.3 5.5 -57.0 141.7 -27.0 14.7 1.7 92 96 A E G 3 S- 0 0 152 1,-0.2 -1,-0.2 2,-0.1 -17,-0.2 0.800 133.8 -60.5 45.2 40.2 -27.9 18.4 2.1 93 97 A G G < S+ 0 0 4 -3,-1.1 -18,-2.7 -19,-0.2 -1,-0.2 0.822 89.8 143.6 65.9 36.8 -25.7 19.4 -0.9 94 98 A S S < S- 0 0 20 -3,-1.0 2,-0.3 1,-0.3 143,-0.2 0.797 75.6 -11.1 -78.1 -27.7 -22.4 18.2 0.5 95 99 A W - 0 0 17 -5,-0.2 -5,-3.1 141,-0.1 2,-0.3 -0.957 63.4-151.9-162.9 158.3 -21.2 17.1 -3.0 96 100 A Y E -EF 89 235A 3 139,-2.1 139,-2.3 -2,-0.3 2,-0.3 -1.000 17.0-127.9-138.3 138.7 -22.6 16.5 -6.6 97 101 A A E - F 0 234A 0 -9,-2.2 137,-0.3 -2,-0.3 3,-0.1 -0.629 20.5-177.4 -75.1 141.6 -21.8 14.3 -9.5 98 102 A L E + 0 0 0 135,-3.2 174,-0.7 1,-0.4 2,-0.3 0.660 66.6 3.1-110.8 -29.3 -21.4 16.3 -12.8 99 103 A S E -GF 271 233A 0 134,-1.4 134,-1.8 172,-0.2 -1,-0.4 -0.957 66.0-130.2-148.9 162.8 -20.8 13.4 -15.2 100 104 A L E +GF 270 232A 26 170,-3.4 170,-2.4 -2,-0.3 2,-0.3 -0.858 21.4 177.9-115.6 157.3 -20.6 9.6 -15.3 101 105 A R E - F 0 231A 1 130,-2.1 130,-2.8 -2,-0.3 2,-0.4 -0.982 15.9-142.1-152.6 153.1 -18.0 7.2 -16.7 102 106 A D E - F 0 230A 0 -2,-0.3 92,-1.9 128,-0.3 2,-0.7 -0.943 13.7-133.3-123.2 143.5 -17.4 3.5 -16.8 103 107 A R E +H 193 0B 2 126,-1.7 126,-0.4 -2,-0.4 90,-0.2 -0.875 44.7 165.4 -94.6 115.2 -14.2 1.4 -16.5 104 108 A V E -H 192 0B 0 88,-2.9 88,-2.4 -2,-0.7 2,-0.6 -0.532 39.2 -86.5-124.7-178.3 -14.4 -1.1 -19.4 105 109 A L E -HI 191 219B 0 114,-3.3 114,-2.3 86,-0.2 2,-0.4 -0.863 28.3-147.2-100.8 122.3 -12.2 -3.5 -21.4 106 110 A Y E -HI 190 218B 0 84,-3.1 84,-1.2 -2,-0.6 2,-0.4 -0.749 26.4-170.0 -79.6 130.1 -10.2 -2.3 -24.3 107 111 A V E -HI 189 217B 0 110,-2.3 110,-2.3 -2,-0.4 82,-0.2 -0.993 32.1-106.1-131.2 135.1 -10.1 -5.1 -26.8 108 112 A E E > - I 0 216B 53 80,-2.3 3,-2.1 -2,-0.4 108,-0.2 -0.391 43.7-119.6 -51.0 126.7 -8.2 -5.6 -30.0 109 113 A K T 3 S+ 0 0 96 106,-2.4 -1,-0.1 1,-0.3 107,-0.1 0.677 106.8 43.9 -51.7 -27.6 -10.9 -5.1 -32.6 110 114 A D T 3 S+ 0 0 111 105,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.349 83.6 115.7-103.1 3.2 -10.7 -8.6 -34.2 111 115 A L S < S- 0 0 36 -3,-2.1 2,-0.8 77,-0.1 -4,-0.0 -0.577 72.2-119.5 -73.4 132.2 -10.4 -10.7 -31.0 112 116 A K + 0 0 180 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 -0.695 65.2 124.2 -71.8 109.3 -13.4 -13.0 -30.4 113 117 A L + 0 0 30 -2,-0.8 -2,-0.1 -6,-0.0 3,-0.1 -0.631 21.2 163.5-171.1 107.3 -14.9 -11.8 -27.1 114 118 A D S S+ 0 0 158 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.715 70.8 33.4 -96.4 -29.8 -18.5 -10.7 -26.7 115 119 A S + 0 0 90 104,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.858 58.1 178.9-130.1 159.2 -18.7 -10.8 -22.9 116 120 A F - 0 0 8 104,-0.4 106,-1.3 -2,-0.3 2,-0.4 -0.947 14.6-155.6-159.6 139.0 -16.5 -10.2 -19.9 117 121 A R B > -l 222 0C 138 -2,-0.3 3,-1.7 104,-0.3 4,-0.4 -0.919 32.9-120.6-108.7 146.5 -16.7 -10.4 -16.1 118 122 A Y G > S+ 0 0 1 104,-2.2 3,-1.4 -2,-0.4 4,-0.2 0.842 115.0 60.4 -53.5 -34.8 -14.3 -8.3 -14.1 119 123 A G G > S+ 0 0 38 103,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.774 88.7 73.2 -61.8 -29.5 -13.1 -11.5 -12.5 120 124 A D G X S+ 0 0 30 -3,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.672 78.2 74.7 -58.8 -22.4 -12.1 -12.8 -15.9 121 125 A L G < S+ 0 0 1 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.714 94.1 53.0 -68.8 -18.0 -9.1 -10.4 -16.0 122 126 A A G < S+ 0 0 22 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.565 80.9 121.2 -88.0 -11.8 -7.4 -12.8 -13.5 123 127 A D X - 0 0 61 -3,-1.3 3,-2.5 -4,-0.3 -3,-0.0 -0.339 68.4-131.4 -64.4 125.6 -7.9 -15.8 -15.7 124 128 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.713 101.4 74.6 -48.0 -27.7 -4.6 -17.6 -16.6 125 129 A K G 3 S+ 0 0 141 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.742 91.8 56.7 -61.7 -21.7 -5.6 -17.7 -20.3 126 130 A W G X S+ 0 0 19 -3,-2.5 3,-2.3 -6,-0.2 4,-0.4 0.185 78.3 146.5 -90.4 14.9 -4.9 -13.9 -20.4 127 131 A K T < S+ 0 0 144 -3,-2.0 39,-0.2 1,-0.3 40,-0.1 -0.301 75.3 1.6 -62.5 130.0 -1.3 -14.4 -19.2 128 132 A G T 3 S+ 0 0 39 37,-0.4 -1,-0.3 39,-0.1 39,-0.2 0.573 115.8 91.4 70.8 12.4 1.1 -11.9 -20.8 129 133 A K < + 0 0 85 -3,-2.3 59,-2.2 37,-0.8 60,-1.9 0.421 58.4 95.4-119.6 1.6 -1.9 -10.2 -22.5 130 134 A V E -jk 167 189B 0 36,-1.9 38,-3.0 -4,-0.4 39,-0.6 -0.797 45.2-168.2-106.6 134.6 -3.2 -7.5 -20.2 131 135 A a E + k 0 190B 0 58,-2.0 60,-0.9 -2,-0.4 2,-0.3 -0.946 19.2 152.0-113.3 142.8 -2.5 -3.7 -20.1 132 136 A I - 0 0 5 -2,-0.4 40,-0.9 38,-0.2 3,-0.1 -0.954 38.6-116.0-160.7 150.2 -3.4 -1.4 -17.3 133 137 A R - 0 0 38 58,-0.4 39,-0.1 -2,-0.3 41,-0.1 -0.182 69.0 -42.8 -74.4 178.3 -2.2 1.8 -15.7 134 138 A S > - 0 0 30 39,-0.5 3,-1.2 1,-0.2 6,-0.3 -0.097 48.9-135.6 -42.5 134.1 -0.9 2.0 -12.1 135 139 A G T 3 S+ 0 0 2 1,-0.2 -1,-0.2 36,-0.2 9,-0.1 0.662 103.8 61.3 -67.9 -16.0 -3.1 0.0 -9.7 136 140 A Q T 3 S+ 0 0 64 4,-0.1 -1,-0.2 173,-0.1 -2,-0.1 0.464 75.7 110.5 -90.5 -6.4 -2.9 3.0 -7.3 137 141 A H S X> S- 0 0 49 -3,-1.2 4,-2.3 1,-0.1 3,-1.3 -0.512 81.2-117.0 -67.0 138.4 -4.6 5.5 -9.7 138 142 A P H 3> S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.786 112.7 61.7 -50.0 -36.5 -8.1 6.5 -8.4 139 143 A Y H 3> S+ 0 0 14 1,-0.2 4,-1.0 2,-0.2 -36,-0.1 0.901 114.2 36.7 -54.3 -42.6 -9.9 5.0 -11.4 140 144 A N H <> S+ 0 0 4 -3,-1.3 4,-3.2 -6,-0.3 5,-0.3 0.911 112.5 54.2 -78.8 -46.8 -8.4 1.6 -10.4 141 145 A T H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.912 109.9 50.8 -57.8 -40.5 -8.6 1.9 -6.6 142 146 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.885 111.2 47.6 -57.7 -43.1 -12.3 2.7 -7.0 143 147 A L H X S+ 0 0 2 -4,-1.0 4,-1.9 -5,-0.2 -2,-0.2 0.946 114.2 46.3 -64.1 -48.6 -12.8 -0.4 -9.2 144 148 A V H X S+ 0 0 5 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.856 110.3 55.5 -58.0 -38.7 -10.9 -2.5 -6.6 145 149 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.878 106.7 48.7 -65.6 -39.7 -13.0 -0.9 -3.9 146 150 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.866 108.9 53.9 -64.5 -39.6 -16.2 -2.0 -5.6 147 151 A M H X S+ 0 0 4 -4,-1.9 4,-3.3 2,-0.2 5,-0.5 0.888 106.6 51.7 -64.0 -38.5 -14.8 -5.5 -6.0 148 152 A I H X S+ 0 0 10 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.935 108.8 51.9 -59.6 -45.9 -14.2 -5.5 -2.2 149 153 A A H < S+ 0 0 28 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.811 119.4 35.3 -58.9 -32.5 -17.8 -4.4 -1.7 150 154 A H H < S+ 0 0 68 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.871 135.3 14.9 -89.2 -41.3 -19.0 -7.4 -3.9 151 155 A D H X S- 0 0 78 -4,-3.3 4,-0.5 1,-0.2 -3,-0.2 0.463 101.0-113.0-119.9 -6.8 -16.6 -10.2 -3.2 152 156 A G H X - 0 0 30 -4,-2.0 4,-1.4 -5,-0.5 -1,-0.2 -0.021 38.0 -75.2 88.4 164.0 -14.7 -9.3 0.1 153 157 A A H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.750 125.3 57.8 -68.1 -27.5 -11.0 -8.6 0.6 154 158 A E H > S+ 0 0 180 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.950 110.6 41.0 -70.9 -47.9 -9.8 -12.2 0.3 155 159 A A H X S+ 0 0 46 -4,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.784 114.4 54.3 -67.7 -30.8 -11.2 -12.7 -3.2 156 160 A T H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.902 106.7 49.4 -73.6 -43.2 -10.1 -9.2 -4.3 157 161 A E H X S+ 0 0 33 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 110.8 51.6 -59.9 -42.2 -6.5 -9.8 -3.3 158 162 A K H X S+ 0 0 165 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.904 110.2 48.8 -60.5 -42.7 -6.6 -13.1 -5.2 159 163 A W H X S+ 0 0 14 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.916 109.0 52.5 -63.9 -45.7 -7.9 -11.2 -8.3 160 164 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.887 109.9 48.7 -56.4 -43.9 -5.2 -8.5 -8.0 161 165 A R H X S+ 0 0 118 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.889 112.6 47.9 -63.8 -42.2 -2.5 -11.2 -7.9 162 166 A G H X S+ 0 0 18 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.894 113.2 48.2 -65.4 -42.7 -4.0 -13.0 -10.9 163 167 A V H X S+ 0 0 0 -4,-3.1 4,-0.7 2,-0.2 3,-0.5 0.932 110.8 50.6 -61.4 -47.1 -4.2 -9.6 -12.8 164 168 A K H >< S+ 0 0 77 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.853 109.6 51.2 -58.3 -39.1 -0.6 -8.8 -11.9 165 169 A A H 3< S+ 0 0 54 -4,-1.8 -37,-0.4 1,-0.2 -1,-0.2 0.750 109.4 52.0 -70.6 -26.5 0.5 -12.2 -13.2 166 170 A N H 3< S+ 0 0 5 -4,-1.1 -36,-1.9 -3,-0.5 -37,-0.8 0.572 82.4 120.5 -83.0 -12.2 -1.4 -11.5 -16.5 167 171 A L B << -j 130 0B 28 -4,-0.7 -36,-0.2 -3,-0.6 -39,-0.1 -0.260 50.4-157.9 -63.7 137.6 0.2 -8.1 -17.2 168 172 A A S S- 0 0 37 -38,-3.0 2,-0.3 1,-0.2 -37,-0.1 0.731 78.7 -1.2 -85.7 -25.9 2.2 -7.7 -20.4 169 173 A R S S- 0 0 52 -39,-0.6 -37,-0.2 -37,-0.1 -1,-0.2 -0.931 102.9 -53.2-149.8 173.3 4.2 -4.8 -19.1 170 174 A K - 0 0 107 -2,-0.3 2,-1.3 1,-0.1 -38,-0.2 -0.084 57.8-106.1 -47.0 141.8 4.5 -2.7 -15.9 171 175 A A S S+ 0 0 1 143,-0.4 2,-0.3 145,-0.3 -38,-0.2 -0.639 80.4 103.7 -72.1 96.2 1.3 -1.1 -14.5 172 176 A A + 0 0 39 -2,-1.3 -40,-0.1 -40,-0.9 2,-0.1 -0.930 37.1 58.3-161.8-179.1 2.0 2.5 -15.5 173 177 A G S S- 0 0 43 -2,-0.3 -39,-0.5 -40,-0.1 2,-0.2 -0.389 82.7 -61.9 83.4-164.2 1.1 5.3 -18.0 174 178 A G - 0 0 19 -41,-0.1 4,-0.3 -2,-0.1 3,-0.2 -0.478 51.4 -91.2-108.3-175.5 -2.4 6.6 -18.6 175 179 A D S >> S+ 0 0 3 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.831 122.4 58.8 -65.9 -34.2 -5.7 5.0 -19.8 176 180 A R H >> S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.838 92.3 68.5 -65.1 -34.8 -4.9 5.9 -23.5 177 181 A D H 3> S+ 0 0 33 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.660 89.2 65.3 -58.0 -19.9 -1.6 3.9 -23.3 178 182 A V H <> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.3 -1,-0.2 0.941 105.3 42.1 -67.0 -49.0 -3.8 0.8 -23.1 179 183 A A H S+ 0 0 8 -4,-2.3 5,-2.6 1,-0.2 6,-1.1 0.773 110.0 55.1 -73.1 -26.4 -0.1 -0.9 -26.5 182 186 A I H ><5S+ 0 0 6 -4,-1.8 3,-0.8 4,-0.2 -1,-0.2 0.920 110.8 45.5 -66.2 -46.4 -3.0 -2.9 -27.9 183 187 A L H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.4 54.3 -59.0 -40.2 -2.2 -1.4 -31.4 184 188 A G T 3<5S- 0 0 61 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.593 115.5-119.4 -72.2 -9.3 1.5 -2.1 -30.7 185 189 A G T < 5S+ 0 0 57 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.650 80.2 122.6 80.1 17.1 0.6 -5.8 -30.1 186 190 A I S > -H 103 0B 4 -2,-0.3 3,-1.0 -90,-0.2 4,-0.6 -0.516 31.6-142.2 -78.6 133.5 -12.3 4.4 -19.2 194 198 A A H >> S+ 0 0 0 -92,-1.9 4,-1.5 -2,-0.3 3,-0.6 0.785 93.7 70.9 -68.1 -28.2 -14.6 4.3 -22.2 195 199 A Y H 3> S+ 0 0 2 -93,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.821 93.0 58.1 -60.0 -31.2 -14.8 8.0 -22.7 196 200 A Y H <> S+ 0 0 10 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.865 101.4 55.7 -63.7 -38.3 -11.1 8.0 -23.8 197 201 A V H < S+ 0 0 2 -4,-3.1 3,-1.4 1,-0.2 13,-0.2 0.889 110.7 54.4 -69.7 -43.5 -9.4 8.8 -29.5 201 205 A K H 3< S+ 0 0 43 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.681 112.7 45.3 -68.3 -19.4 -11.8 7.5 -32.2 202 206 A N T 3< S+ 0 0 67 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.344 90.7 120.4 -99.4 0.6 -12.8 11.1 -32.9 203 207 A A S < S- 0 0 20 -3,-1.4 3,-0.1 1,-0.2 -3,-0.1 -0.209 81.0 -71.6 -66.7 157.6 -9.2 12.4 -33.0 204 208 A E > - 0 0 146 1,-0.1 3,-1.6 2,-0.1 6,-0.4 -0.234 60.9-104.6 -46.1 124.6 -7.7 14.0 -36.0 205 209 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.314 104.8 27.3 -57.4 139.3 -7.1 11.4 -38.7 206 210 A G T 3 S+ 0 0 58 1,-0.4 2,-0.1 -3,-0.1 -2,-0.1 0.080 93.5 117.8 94.0 -22.7 -3.4 10.3 -39.1 207 211 A T S <> S- 0 0 46 -3,-1.6 4,-1.8 1,-0.1 -1,-0.4 -0.396 76.6-117.4 -73.9 155.1 -2.5 11.2 -35.4 208 212 A D H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 115.5 58.0 -52.3 -49.6 -1.4 8.5 -33.0 209 213 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 106.2 49.4 -50.8 -42.5 -4.4 9.0 -30.9 210 214 A R H > S+ 0 0 66 -6,-0.4 4,-2.2 -3,-0.2 -1,-0.2 0.914 110.1 49.5 -64.8 -45.7 -6.7 8.2 -33.9 211 215 A K H X S+ 0 0 110 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.889 109.2 52.2 -60.9 -44.5 -4.8 5.0 -34.7 212 216 A W H >X S+ 0 0 47 -4,-2.7 3,-1.1 1,-0.2 4,-0.5 0.954 110.7 49.8 -53.1 -51.3 -5.0 3.9 -31.1 213 217 A G H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.864 109.5 48.6 -58.6 -42.7 -8.8 4.5 -31.2 214 218 A D H 3< S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.583 102.4 66.0 -77.0 -8.8 -9.4 2.6 -34.5 215 219 A A H << S+ 0 0 8 -3,-1.1 -106,-2.4 -4,-0.8 2,-0.2 0.675 101.7 51.7 -80.0 -19.6 -7.3 -0.4 -33.1 216 220 A I E << -I 108 0B 2 -3,-0.9 2,-0.3 -4,-0.5 -108,-0.2 -0.729 56.0-158.1-126.5 161.6 -9.8 -1.3 -30.4 217 221 A K E -I 107 0B 56 -110,-2.3 -110,-2.3 -2,-0.2 2,-0.4 -0.868 31.7-109.8-128.6 166.7 -13.4 -2.0 -29.5 218 222 A V E -I 106 0B 21 -2,-0.3 2,-0.4 -112,-0.2 -112,-0.2 -0.834 26.2-177.3-104.5 131.6 -15.2 -1.7 -26.1 219 223 A V E -I 105 0B 11 -114,-2.3 -114,-3.3 -2,-0.4 -104,-0.1 -0.995 17.7-146.9-122.7 125.4 -16.4 -4.5 -24.0 220 224 A R - 0 0 37 -2,-0.4 -104,-0.4 -116,-0.2 -116,-0.1 -0.808 14.7-152.0 -92.2 112.1 -18.2 -3.7 -20.8 221 225 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.416 6.6-152.2 -75.1 161.5 -17.5 -6.2 -18.0 222 226 A T B -l 117 0C 52 -106,-1.3 -104,-2.2 6,-0.2 2,-0.4 -0.842 25.9 -99.1-120.8 164.9 -20.0 -6.9 -15.2 223 227 A F 0 0 7 4,-1.0 -106,-0.0 -2,-0.3 5,-0.0 -0.766 360.0 360.0 -84.6 131.3 -19.5 -8.1 -11.7 224 228 A A 0 0 114 -2,-0.4 -1,-0.1 2,-0.0 -107,-0.0 0.811 360.0 360.0 -56.9 360.0 -20.2 -11.8 -11.4 225 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 226 233 A G 0 0 76 0, 0.0 2,-0.2 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 123.1 -23.8 -7.3 -11.3 227 234 A G - 0 0 2 -5,-0.1 -4,-1.0 1,-0.0 63,-0.2 -0.634 360.0 -60.3-128.6-170.8 -23.4 -4.4 -13.8 228 235 A T B -m 290 0D 3 61,-3.5 63,-2.1 -2,-0.2 2,-0.2 -0.553 57.5-107.8 -77.6 138.0 -20.6 -2.4 -15.3 229 236 A H - 0 0 3 -126,-0.4 -126,-1.7 -8,-0.3 2,-0.4 -0.493 41.2-171.8 -68.8 129.1 -18.5 -0.4 -12.8 230 237 A V E - F 0 102A 9 -128,-0.2 -128,-0.3 -2,-0.2 2,-0.2 -0.963 8.8-179.4-124.9 142.0 -19.2 3.4 -13.1 231 238 A N E - F 0 101A 6 -130,-2.8 -130,-2.1 -2,-0.4 2,-0.3 -0.671 16.7-129.9-125.3-177.0 -17.4 6.3 -11.5 232 239 A I E - F 0 100A 0 -132,-0.2 2,-0.4 -2,-0.2 -132,-0.2 -0.850 13.9-130.6-130.3 162.3 -18.1 10.1 -11.6 233 240 A S E + F 0 99A 0 -134,-1.8 -135,-3.2 -2,-0.3 -134,-1.4 -0.940 49.8 171.7-100.3 141.1 -16.6 13.5 -12.1 234 241 A G E -CF 57 97A 0 -177,-1.9 -177,-2.4 -2,-0.4 2,-0.3 -0.964 23.3-151.1-149.7 163.1 -17.8 15.5 -9.1 235 242 A A E -CF 56 96A 0 -139,-2.3 -139,-2.1 -2,-0.3 2,-0.3 -0.970 7.4-175.1-140.3 150.9 -17.4 18.7 -7.3 236 243 A A E -C 55 0A 0 -181,-2.0 -181,-3.0 -2,-0.3 2,-0.4 -0.948 33.4-113.2-133.1 157.5 -17.7 20.2 -3.8 237 244 A V E -CD 54 73A 0 -164,-0.7 -164,-2.3 -2,-0.3 -183,-0.2 -0.796 40.7-108.3 -91.3 133.4 -17.4 23.9 -2.8 238 245 A A E > - D 0 72A 4 -185,-1.8 3,-1.7 -2,-0.4 -166,-0.3 -0.288 23.1-116.9 -63.6 146.8 -14.4 24.6 -0.7 239 246 A A T 3 S+ 0 0 26 -168,-2.5 -167,-0.1 1,-0.3 -1,-0.1 0.808 113.0 29.9 -53.6 -41.8 -14.8 25.4 3.1 240 247 A H T 3 S+ 0 0 91 -169,-0.3 -1,-0.3 -193,-0.1 -2,-0.1 -0.030 82.6 167.6-111.3 31.1 -13.5 29.0 2.9 241 248 A A X - 0 0 14 -3,-1.7 3,-0.7 -188,-0.2 -188,-0.2 -0.217 26.3-157.3 -47.3 117.9 -14.5 29.8 -0.7 242 249 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.721 92.7 39.4 -70.8 -19.4 -14.1 33.5 -1.3 243 250 A N T 3> + 0 0 30 -192,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.372 68.4 152.7-126.0 55.3 -16.6 33.3 -4.2 244 251 A K H <> S+ 0 0 53 -3,-0.7 4,-2.6 1,-0.2 5,-0.2 0.850 73.5 51.2 -53.7 -45.0 -19.3 30.9 -3.0 245 252 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 113.9 43.9 -61.3 -46.8 -22.2 32.4 -5.1 246 253 A N H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.805 111.2 56.3 -65.1 -33.2 -20.1 32.2 -8.3 247 254 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.924 109.1 45.0 -62.9 -48.3 -18.9 28.7 -7.3 248 255 A V H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.906 110.4 56.2 -60.8 -43.2 -22.6 27.6 -7.1 249 256 A K H X S+ 0 0 113 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.858 106.7 49.2 -56.9 -38.9 -23.3 29.3 -10.4 250 257 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.897 112.9 46.5 -66.8 -41.8 -20.5 27.3 -12.1 251 258 A L H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.883 112.6 49.6 -69.8 -38.8 -21.8 24.1 -10.8 252 259 A E H >< S+ 0 0 47 -4,-2.7 3,-0.6 1,-0.2 4,-0.3 0.871 111.0 50.6 -66.5 -39.0 -25.4 24.9 -11.7 253 260 A Y H >< S+ 0 0 36 -4,-1.9 3,-1.1 -5,-0.2 6,-0.5 0.880 104.9 57.8 -63.9 -38.3 -24.2 25.8 -15.2 254 261 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.633 106.2 48.4 -71.5 -16.6 -22.3 22.5 -15.5 255 262 A V T << S+ 0 0 0 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.404 90.5 108.5-101.2 0.0 -25.5 20.5 -14.9 256 263 A S S <> S- 0 0 26 -3,-1.1 4,-2.5 -4,-0.3 5,-0.2 -0.248 85.5-106.2 -65.5 161.6 -27.5 22.5 -17.5 257 264 A E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.901 117.5 51.9 -58.9 -48.2 -28.5 20.9 -20.8 258 265 A P H > S+ 0 0 83 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.931 115.4 41.8 -52.4 -46.3 -25.9 22.9 -22.9 259 266 A A H > S+ 0 0 0 -6,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.865 112.1 52.6 -73.4 -38.8 -23.0 21.8 -20.6 260 267 A Q H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.805 106.2 56.1 -65.8 -29.3 -24.2 18.3 -20.2 261 268 A T H X S+ 0 0 36 -4,-2.0 4,-3.6 2,-0.2 5,-0.4 0.881 106.3 50.6 -63.7 -41.7 -24.3 18.1 -24.1 262 269 A L H X>S+ 0 0 54 -4,-1.4 4,-2.3 2,-0.2 5,-1.7 0.897 106.8 53.3 -63.2 -39.8 -20.6 19.1 -23.9 263 270 A Y H <5S+ 0 0 0 -4,-2.1 6,-2.5 3,-0.2 5,-0.3 0.929 117.9 38.4 -59.2 -44.1 -20.0 16.3 -21.4 264 271 A A H <5S+ 0 0 0 -4,-2.1 15,-0.5 4,-0.2 4,-0.4 0.943 128.9 27.4 -65.6 -53.5 -21.6 13.9 -23.9 265 272 A Q H <5S+ 0 0 99 -4,-3.6 -3,-0.2 2,-0.1 -2,-0.2 0.662 132.1 30.9 -99.0 -18.9 -20.3 15.3 -27.3 266 273 A A T <5S+ 0 0 36 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.707 132.3 29.7-106.9 -32.9 -17.0 16.9 -26.3 267 274 A N S S- 0 0 78 -175,-0.2 3,-0.5 -17,-0.1 -189,-0.1 -0.643 84.3-122.4 -84.8 140.3 -29.1 15.0 -16.5 274 281 A A T 3 S+ 0 0 87 -2,-0.3 3,-0.1 -191,-0.2 -1,-0.1 -0.285 86.4 39.0 -76.4 163.3 -31.8 13.2 -18.5 275 282 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.637 78.5 131.0 73.4 15.5 -32.7 13.9 -22.1 276 283 A V < - 0 0 18 -3,-0.5 2,-0.3 -5,-0.1 -1,-0.2 -0.897 55.6-129.5-100.2 126.3 -29.2 14.6 -23.3 277 284 A K - 0 0 170 -2,-0.5 -13,-0.1 -3,-0.1 -12,-0.1 -0.553 20.8-129.6 -77.2 135.6 -28.1 12.7 -26.5 278 285 A L - 0 0 71 -2,-0.3 -13,-0.1 1,-0.1 -8,-0.1 -0.356 32.0 -87.8 -77.7 160.4 -24.9 10.7 -26.4 279 286 A D > - 0 0 20 -15,-0.5 4,-2.7 -10,-0.3 5,-0.2 -0.403 39.2-118.5 -62.0 147.0 -22.1 11.0 -29.0 280 287 A A H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.865 113.0 47.9 -61.2 -41.1 -22.6 8.6 -31.9 281 288 A V H 4 S+ 0 0 35 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.934 113.4 47.4 -65.1 -46.0 -19.4 6.6 -31.3 282 289 A V H >4 S+ 0 0 2 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.892 108.7 55.1 -62.6 -40.5 -20.2 6.2 -27.5 283 290 A A H >< S+ 0 0 54 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.844 98.6 65.6 -58.4 -32.6 -23.8 5.2 -28.4 284 291 A S T 3< S+ 0 0 89 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.613 82.5 73.3 -69.8 -14.2 -22.2 2.5 -30.6 285 292 A F T < S- 0 0 34 -3,-1.5 -1,-0.3 -4,-0.4 -65,-0.2 0.578 110.4-114.9 -72.1 -8.6 -20.7 0.7 -27.5 286 293 A G < - 0 0 30 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.1 -0.250 50.1 -35.5 95.7 170.6 -24.3 -0.5 -26.7 287 294 A P - 0 0 132 0, 0.0 2,-0.5 0, 0.0 -4,-0.0 -0.401 62.8-123.5 -65.5 141.2 -26.5 0.4 -23.8 288 295 A L - 0 0 50 -2,-0.1 2,-0.7 -61,-0.0 -2,-0.1 -0.770 16.0-160.0 -93.3 123.8 -24.8 0.8 -20.4 289 296 A K - 0 0 161 -2,-0.5 -61,-3.5 -60,-0.0 2,-0.1 -0.891 22.2-144.9-104.4 104.4 -26.0 -1.4 -17.5 290 297 A V B -m 228 0D 65 -2,-0.7 -61,-0.2 -63,-0.2 2,-0.2 -0.346 18.4-104.3 -76.9 142.3 -24.8 0.3 -14.4 291 298 A D - 0 0 5 -63,-2.1 -1,-0.1 -64,-0.2 -61,-0.1 -0.463 25.5-136.0 -61.5 132.0 -23.6 -1.5 -11.2 292 299 A T S S+ 0 0 126 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.735 74.1 108.3 -64.4 -27.1 -26.4 -1.2 -8.6 293 300 A L S S- 0 0 34 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.332 77.7-117.8 -55.6 121.8 -23.8 -0.4 -5.9 294 301 A P >> - 0 0 68 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.356 15.7-126.5 -62.0 143.7 -24.1 3.3 -4.8 295 302 A V H 3> S+ 0 0 7 -208,-0.5 4,-1.9 1,-0.3 3,-0.1 0.893 111.6 56.8 -60.5 -40.0 -20.9 5.4 -5.6 296 303 A A H 3> S+ 0 0 37 -209,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.801 105.5 53.1 -60.0 -30.7 -20.8 6.5 -1.9 297 304 A E H <> S+ 0 0 73 -3,-0.6 4,-0.6 2,-0.2 3,-0.5 0.866 104.5 53.8 -70.3 -41.0 -20.7 2.8 -1.0 298 305 A I H >< S+ 0 0 5 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.891 102.6 58.9 -56.4 -42.2 -17.7 2.2 -3.3 299 306 A A H >< S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.791 89.8 73.9 -60.3 -30.8 -15.9 5.0 -1.5 300 307 A K H 3< S+ 0 0 136 -4,-0.7 3,-0.4 -3,-0.5 4,-0.2 0.862 103.6 37.2 -45.8 -43.7 -16.2 3.1 1.8 301 308 A Y T S+ 0 0 37 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.832 81.2 48.1 -60.5 -35.6 -11.2 3.0 -1.1 303 310 A K H > S+ 0 0 113 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.937 113.7 45.4 -74.3 -45.7 -8.5 2.9 1.6 304 311 A Q H > S+ 0 0 80 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.903 109.5 57.9 -60.5 -42.5 -8.5 -0.9 1.9 305 312 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.903 107.0 47.6 -49.7 -47.8 -8.4 -1.1 -1.9 306 313 A S H X S+ 0 0 42 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.835 110.1 50.7 -70.1 -36.5 -5.2 0.9 -2.0 307 314 A E H X S+ 0 0 136 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.883 110.0 51.4 -65.8 -40.2 -3.5 -1.2 0.7 308 315 A L H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.896 107.2 52.5 -63.3 -40.7 -4.4 -4.4 -1.2 309 316 A V H <>S+ 0 0 2 -4,-1.9 5,-1.9 1,-0.2 4,-0.3 0.930 114.3 43.4 -61.4 -43.9 -2.9 -3.0 -4.4 310 317 A D H ><5S+ 0 0 118 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.926 107.4 60.2 -64.2 -44.7 0.3 -2.3 -2.5 311 318 A K H 3<5S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.838 107.0 45.5 -54.6 -40.5 0.2 -5.6 -0.7 312 319 A V T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.463 109.7-121.9 -82.6 -1.8 0.4 -7.6 -3.9 313 320 A G T X 5 + 0 0 13 -3,-2.0 3,-1.8 -4,-0.3 -3,-0.2 0.907 45.4 174.9 59.5 45.6 3.2 -5.3 -5.3 314 321 A F T 3 < + 0 0 7 -5,-1.9 -143,-0.4 1,-0.3 -4,-0.1 0.760 69.7 42.5 -57.8 -36.9 0.9 -4.5 -8.3 315 322 A D T 3 0 0 40 -6,-0.2 -1,-0.3 -145,-0.1 -2,-0.1 0.340 360.0 360.0 -94.3 5.3 3.1 -1.9 -10.0 316 323 A N < 0 0 154 -3,-1.8 -145,-0.3 -146,-0.1 0, 0.0 -0.192 360.0 360.0 -74.6 360.0 6.4 -3.8 -9.5