==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 26-FEB-04 1SI0 . COMPND 2 MOLECULE: IRON BINDING PROTEIN FBPA; . SOURCE 2 ORGANISM_SCIENTIFIC: MANNHEIMIA HAEMOLYTICA; . AUTHOR S.R.SHOULDICE,R.J.SKENE,D.R.DOUGAN,G.SNELL,D.E.MCREE, . 316 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.1 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 . 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 1 0 2 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 2 1 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 1 A A 0 0 119 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.9 12.3 98.3 18.3 2 2 A N + 0 0 85 25,-0.1 27,-2.5 2,-0.0 2,-0.3 -0.766 360.0 113.4-119.4 78.8 11.9 95.0 20.1 3 3 A E E -a 29 0A 58 -2,-0.4 2,-0.3 25,-0.2 27,-0.2 -0.873 52.7-146.3-145.3 168.7 13.8 92.8 17.7 4 4 A V E -a 30 0A 0 25,-2.1 27,-2.7 -2,-0.3 2,-0.6 -0.981 19.1-138.0-144.7 136.2 16.9 90.7 17.2 5 5 A N E -a 31 0A 23 -2,-0.3 48,-2.5 46,-0.3 49,-2.2 -0.866 21.5-167.4-104.1 114.3 18.7 90.3 13.9 6 6 A V E -ab 32 54A 1 25,-3.6 27,-2.3 -2,-0.6 2,-0.6 -0.862 15.2-164.4-107.8 129.8 19.8 86.7 13.0 7 7 A Y E -ab 33 55A 10 47,-2.9 49,-2.5 -2,-0.5 2,-0.5 -0.979 26.5-162.8-106.7 118.5 22.2 85.7 10.3 8 8 A S E +ab 34 56A 0 25,-3.1 27,-1.9 -2,-0.6 49,-0.2 -0.912 38.2 176.4-119.5 121.4 21.6 81.9 9.9 9 9 A Y + 0 0 12 47,-3.0 48,-0.2 -2,-0.5 2,-0.2 0.540 68.5 98.1 -81.5 -15.4 23.6 79.2 8.3 10 10 A R S S- 0 0 6 46,-0.4 25,-0.2 1,-0.1 5,-0.1 -0.496 87.5-107.3 -70.0 147.1 20.9 76.8 9.6 11 11 A Q > - 0 0 59 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.483 27.9-116.8 -71.9 143.1 18.3 75.8 7.1 12 12 A P G >> S+ 0 0 51 0, 0.0 4,-2.9 0, 0.0 3,-1.7 0.894 113.1 55.0 -48.2 -46.0 14.9 77.5 7.7 13 13 A Y G 34 S+ 0 0 69 1,-0.3 -3,-0.0 2,-0.2 -2,-0.0 0.719 110.2 47.9 -66.4 -17.7 13.1 74.1 8.4 14 14 A L G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 2,-0.1 252,-0.1 0.333 126.0 22.9-102.3 3.0 15.7 73.3 11.1 15 15 A I T X> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.5 3,-0.5 0.570 99.7 78.7-137.2 -29.1 15.6 76.6 12.9 16 16 A E H 3X S+ 0 0 72 -4,-2.9 4,-3.0 -5,-0.3 5,-0.3 0.863 91.4 58.0 -56.5 -39.6 12.3 78.5 12.3 17 17 A P H 3> S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.922 110.3 43.7 -55.6 -42.8 10.4 76.3 14.8 18 18 A M H <> S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.895 115.6 48.2 -67.9 -41.9 12.7 77.3 17.6 19 19 A L H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.871 110.0 51.3 -68.9 -38.0 12.7 81.0 16.5 20 20 A K H X S+ 0 0 120 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.897 110.8 49.0 -66.0 -39.8 8.9 81.1 16.2 21 21 A N H X S+ 0 0 40 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.894 110.4 51.9 -64.6 -39.6 8.6 79.7 19.7 22 22 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.4 0.930 109.8 48.9 -60.6 -46.5 11.1 82.3 20.9 23 23 A E H X S+ 0 0 51 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.914 114.1 45.7 -59.4 -45.8 9.1 85.1 19.3 24 24 A K H < S+ 0 0 168 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.918 117.3 43.0 -64.1 -44.5 5.8 83.8 20.9 25 25 A D H < S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.771 128.4 25.2 -77.5 -28.8 7.3 83.2 24.4 26 26 A T H < S- 0 0 54 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.625 91.5-128.7-110.0 -21.1 9.4 86.5 24.6 27 27 A G < + 0 0 50 -4,-2.2 2,-0.4 -5,-0.4 -4,-0.2 0.458 62.5 137.2 79.1 3.3 7.6 88.9 22.3 28 28 A I - 0 0 5 -6,-0.4 2,-0.4 -5,-0.1 -1,-0.3 -0.708 53.9-128.4 -86.9 129.1 10.9 89.7 20.6 29 29 A K E -a 3 0A 116 -27,-2.5 -25,-2.1 -2,-0.4 2,-0.6 -0.610 16.8-144.0 -78.4 129.2 10.7 89.9 16.8 30 30 A V E -a 4 0A 12 -2,-0.4 2,-0.5 -27,-0.2 -25,-0.2 -0.860 12.2-169.6 -95.0 122.0 13.2 87.8 14.9 31 31 A N E -a 5 0A 54 -27,-2.7 -25,-3.6 -2,-0.6 2,-0.4 -0.969 20.3-175.4-102.6 126.4 14.5 89.3 11.7 32 32 A I E -a 6 0A 48 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.975 23.4-170.6-132.6 135.8 16.5 86.6 9.9 33 33 A I E -a 7 0A 53 -27,-2.3 -25,-3.1 -2,-0.4 2,-0.4 -0.971 18.0-152.3-115.5 144.0 18.6 86.2 6.8 34 34 A F E +a 8 0A 69 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.900 22.6 153.3-114.7 142.4 19.6 82.8 5.6 35 35 A A - 0 0 28 -27,-1.9 3,-0.1 -2,-0.4 -2,-0.0 -0.974 40.8-145.5-155.6 163.8 22.7 81.7 3.6 36 36 A D S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.2 -27,-0.1 0.502 90.0 9.6-101.1 -13.3 25.0 78.7 3.0 37 37 A K S S+ 0 0 70 2,-0.0 -1,-0.2 1,-0.0 0, 0.0 -0.980 105.3 42.4-157.0 161.8 28.0 81.0 2.6 38 38 A G > + 0 0 45 -2,-0.3 4,-1.5 -3,-0.1 5,-0.1 0.403 69.0 113.9 84.6 -1.0 29.3 84.5 2.9 39 39 A L H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.840 77.2 50.8 -74.3 -32.6 27.8 85.5 6.3 40 40 A V H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 113.7 45.0 -68.3 -45.5 31.1 85.8 8.1 41 41 A D H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.823 110.3 57.0 -65.0 -31.5 32.5 88.1 5.4 42 42 A R H X S+ 0 0 103 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.929 107.7 45.7 -66.0 -45.9 29.3 90.0 5.4 43 43 A V H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.899 113.8 50.9 -62.7 -40.6 29.6 90.8 9.1 44 44 A K H < S+ 0 0 135 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.935 113.0 43.1 -63.5 -48.5 33.2 91.7 8.6 45 45 A Q H < S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.0 55.3 -68.4 -34.4 32.6 94.1 5.7 46 46 A E H >< S+ 0 0 39 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.2 0.824 88.1 166.9 -67.5 -31.3 29.5 95.7 7.5 47 47 A G G >< - 0 0 28 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 -0.207 61.7 -4.1 61.5-135.8 31.9 96.4 10.4 48 48 A E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.698 136.8 55.9 -66.8 -19.6 30.7 98.7 13.2 49 49 A L G < S+ 0 0 163 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.331 77.0 126.3 -93.4 5.5 27.5 99.4 11.2 50 50 A S < - 0 0 7 -3,-1.7 -7,-0.1 -7,-0.2 -8,-0.0 -0.473 49.8-156.2 -65.1 129.8 26.6 95.7 10.9 51 51 A P + 0 0 55 0, 0.0 -46,-0.3 0, 0.0 -1,-0.1 0.503 51.9 127.9 -80.2 -4.0 23.0 95.1 12.2 52 52 A A + 0 0 0 1,-0.2 -46,-0.2 188,-0.1 187,-0.1 -0.286 25.0 165.7 -60.1 130.3 23.9 91.4 13.0 53 53 A D + 0 0 0 -48,-2.5 184,-2.1 1,-0.3 2,-0.4 0.776 65.9 22.8-101.5 -51.9 23.0 90.3 16.5 54 54 A V E -bC 6 236A 0 -49,-2.2 -47,-2.9 182,-0.2 2,-0.6 -0.975 58.7-159.6-129.3 128.8 23.2 86.6 16.4 55 55 A L E -bC 7 235A 2 180,-2.7 180,-1.7 -2,-0.4 2,-0.5 -0.960 13.0-158.0-108.8 118.0 25.1 84.3 14.0 56 56 A L E -bC 8 234A 2 -49,-2.5 -47,-3.0 -2,-0.6 -46,-0.4 -0.876 15.5-170.3 -99.2 125.2 23.7 80.7 13.9 57 57 A T E - C 0 233A 0 176,-2.2 176,-1.5 -2,-0.5 3,-0.1 -0.700 31.2-159.0-113.9 161.0 26.1 78.1 12.7 58 58 A V S S+ 0 0 17 -2,-0.2 2,-0.3 174,-0.2 174,-0.1 0.156 80.8 50.1-114.8 14.2 26.0 74.5 11.7 59 59 A D > - 0 0 0 1,-0.1 4,-1.7 171,-0.1 3,-0.2 -0.984 68.1-137.5-158.6 134.1 29.7 73.9 12.2 60 60 A I H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.861 106.1 60.1 -58.8 -37.2 32.4 74.5 14.8 61 61 A S H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 104.5 48.6 -64.8 -35.5 34.9 75.6 12.1 62 62 A R H > S+ 0 0 39 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 109.2 53.8 -67.5 -42.2 32.5 78.5 11.1 63 63 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.937 110.7 45.9 -53.5 -48.6 32.2 79.5 14.8 64 64 A M H X S+ 0 0 23 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.843 107.3 57.4 -70.0 -32.4 35.9 79.7 15.1 65 65 A E H X S+ 0 0 77 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.940 111.7 43.4 -58.3 -46.3 36.3 81.6 11.8 66 66 A I H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 6,-0.3 0.939 117.5 44.1 -64.5 -48.1 33.9 84.2 13.3 67 67 A V H ><5S+ 0 0 13 -4,-2.5 3,-1.7 1,-0.2 5,-0.3 0.917 112.8 50.8 -67.8 -44.0 35.6 84.3 16.7 68 68 A N H 3<5S+ 0 0 125 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.0 58.5 -64.7 -27.3 39.2 84.3 15.3 69 69 A A T 3<5S- 0 0 39 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.289 116.5-115.6 -84.0 9.2 38.2 87.3 13.1 70 70 A D T < 5S+ 0 0 87 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.859 80.1 126.7 58.1 40.0 37.2 89.3 16.2 71 71 A L < + 0 0 19 -5,-2.1 167,-2.3 -6,-0.1 168,-0.2 0.365 55.1 69.3-106.2 2.0 33.6 89.4 15.1 72 72 A A B -K 237 0B 3 -6,-0.3 2,-0.3 -5,-0.3 165,-0.2 -0.553 66.8-143.2-106.2 173.9 32.1 88.0 18.3 73 73 A Q - 0 0 40 163,-1.3 163,-0.4 21,-0.3 2,-0.2 -0.983 27.7 -99.2-136.1 157.0 31.8 89.3 21.8 74 74 A K - 0 0 123 -2,-0.3 2,-0.5 161,-0.1 20,-0.2 -0.518 32.8-161.2 -73.0 132.6 32.1 87.6 25.2 75 75 A I - 0 0 8 18,-2.6 2,-0.8 -2,-0.2 20,-0.1 -0.983 5.0-165.7-119.7 120.3 28.8 86.8 26.8 76 76 A D + 0 0 128 -2,-0.5 2,-0.4 4,-0.0 3,-0.1 -0.892 25.6 157.5-108.3 97.7 28.7 86.1 30.6 77 77 A S > - 0 0 9 -2,-0.8 4,-2.1 1,-0.1 5,-0.1 -0.991 39.6-156.7-128.5 126.4 25.4 84.5 31.3 78 78 A K H > S+ 0 0 126 -2,-0.4 4,-1.8 2,-0.2 5,-0.2 0.775 100.2 57.5 -67.8 -27.1 24.6 82.3 34.3 79 79 A V H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.938 108.6 43.3 -68.1 -48.1 21.8 80.8 32.2 80 80 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.889 111.9 55.2 -64.7 -37.9 24.2 79.7 29.5 81 81 A E H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.908 115.0 38.7 -60.1 -42.9 26.7 78.4 32.1 82 82 A K H < S+ 0 0 161 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.900 121.6 41.5 -74.3 -44.8 24.0 76.2 33.6 83 83 A N H < S+ 0 0 17 -4,-2.7 190,-0.4 -5,-0.2 -2,-0.2 0.836 109.2 56.9 -79.0 -35.4 22.3 75.0 30.5 84 84 A I S < S- 0 0 0 -4,-2.5 -1,-0.1 -5,-0.2 188,-0.1 -0.882 85.7-126.4-104.6 116.9 25.3 74.4 28.2 85 85 A P > - 0 0 12 0, 0.0 3,-2.3 0, 0.0 12,-0.2 -0.253 27.1-112.2 -56.4 149.6 27.9 72.0 29.5 86 86 A A G > S+ 0 0 66 1,-0.3 3,-1.3 2,-0.2 -4,-0.0 0.770 114.4 62.7 -59.6 -29.0 31.4 73.4 29.5 87 87 A Q G 3 S+ 0 0 121 1,-0.3 -1,-0.3 3,-0.0 207,-0.2 0.586 103.4 51.7 -73.1 -8.3 32.6 71.0 26.7 88 88 A F G < S+ 0 0 40 -3,-2.3 9,-2.9 9,-0.1 2,-0.3 0.123 106.9 55.0-116.3 19.1 30.1 72.6 24.3 89 89 A R B < S-D 96 0A 39 -3,-1.3 7,-0.2 7,-0.2 2,-0.1 -0.987 92.8 -86.4-146.5 159.3 30.9 76.3 24.8 90 90 A D > - 0 0 12 5,-2.6 3,-1.7 -2,-0.3 -2,-0.1 -0.381 24.8-141.6 -60.6 132.3 34.0 78.5 24.6 91 91 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.794 108.5 51.6 -62.9 -25.4 36.0 78.6 27.7 92 92 A N T 3 S- 0 0 69 3,-0.0 -1,-0.3 -18,-0.0 -2,-0.1 0.153 115.1-119.5 -98.9 14.9 36.4 82.3 26.8 93 93 A D S < S+ 0 0 45 -3,-1.7 -18,-2.6 2,-0.2 -2,-0.1 0.642 80.3 114.1 66.8 22.3 32.6 82.9 26.4 94 94 A Q S S+ 0 0 31 -20,-0.2 142,-0.3 1,-0.2 2,-0.3 0.548 76.4 28.9-102.7 -10.4 32.5 83.9 22.7 95 95 A W - 0 0 1 140,-0.1 -5,-2.6 -20,-0.1 2,-0.4 -0.992 62.5-160.3-148.0 156.6 30.6 81.0 21.3 96 96 A F E -DE 89 234A 3 138,-2.2 138,-1.6 -2,-0.3 2,-0.3 -0.998 14.5-136.3-142.3 128.6 28.1 78.5 22.4 97 97 A G E + E 0 233A 0 -9,-2.9 136,-0.3 -2,-0.4 3,-0.1 -0.668 17.8 179.4 -83.2 140.6 27.0 75.1 21.2 98 98 A L E + 0 0 1 134,-2.9 173,-1.1 1,-0.4 174,-0.3 0.667 66.8 2.0-112.4 -32.2 23.3 74.4 21.1 99 99 A T E -FE 270 232A 0 133,-1.3 133,-1.6 171,-0.2 -1,-0.4 -0.966 61.3-137.4-143.6 163.4 23.2 70.9 19.7 100 100 A T E -FE 269 231A 7 169,-2.6 169,-2.3 -2,-0.3 2,-0.3 -0.895 19.0-173.6-116.1 160.3 25.5 68.2 18.6 101 101 A R E - E 0 230A 1 129,-2.3 129,-2.2 -2,-0.3 2,-0.4 -0.965 18.2-130.2-145.3 153.8 25.2 66.0 15.6 102 102 A A E - E 0 229A 0 -2,-0.3 95,-2.8 127,-0.2 2,-0.9 -0.897 11.7-138.3-106.9 139.4 27.1 63.0 14.3 103 103 A R E +GE 196 228A 2 125,-2.3 125,-0.6 -2,-0.4 93,-0.3 -0.884 42.9 179.1 -96.1 107.0 28.4 62.7 10.7 104 104 A V E -G 195 0A 0 91,-2.7 91,-2.0 -2,-0.9 2,-0.5 -0.342 32.5-111.0-105.9 176.4 27.5 59.2 10.1 105 105 A I E -GH 194 219A 0 114,-2.3 114,-1.5 89,-0.2 2,-0.4 -0.975 26.7-156.2-113.4 118.9 27.7 56.6 7.3 106 106 A Y E -GH 193 218A 1 87,-2.1 87,-2.4 -2,-0.5 2,-0.3 -0.776 13.7-168.7 -90.3 139.6 24.4 55.6 5.7 107 107 A T E -GH 192 217A 0 110,-2.0 110,-2.4 -2,-0.4 2,-0.3 -0.928 30.9 -94.9-126.4 155.1 24.3 52.2 4.0 108 108 A S E >> - H 0 216A 2 83,-2.2 5,-2.8 -2,-0.3 4,-1.8 -0.507 26.4-148.3 -63.5 126.0 21.9 50.4 1.7 109 109 A K T 45S+ 0 0 122 106,-2.6 -1,-0.2 -2,-0.3 107,-0.1 0.926 97.4 36.6 -58.1 -45.8 19.6 48.2 3.8 110 110 A D T 45S+ 0 0 134 105,-0.4 -1,-0.2 1,-0.2 106,-0.1 0.852 125.8 34.5 -79.4 -36.2 19.4 45.7 0.9 111 111 A R T 45S+ 0 0 102 2,-0.1 -2,-0.2 80,-0.1 -1,-0.2 0.550 135.4 9.7-105.3 -10.5 22.9 45.8 -0.5 112 112 A V T <5S- 0 0 44 -4,-1.8 -3,-0.2 79,-0.1 2,-0.2 0.580 76.9-164.9-129.5 -48.2 25.1 46.3 2.5 113 113 A G < - 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0 0 142 -3,-0.1 2,-0.3 -2,-0.1 -66,-0.1 -0.310 51.1-176.8 -89.7 175.4 24.6 54.8 21.7 287 287 A F - 0 0 50 -2,-0.1 2,-0.7 -60,-0.0 -65,-0.1 -0.968 36.3 -83.3-163.3 169.0 28.0 55.1 20.0 288 288 A K - 0 0 112 -2,-0.3 -61,-3.0 -67,-0.2 2,-0.4 -0.767 41.9-150.9 -85.9 116.4 31.5 56.1 20.6 289 289 A S B -l 227 0C 51 -2,-0.7 -61,-0.2 -63,-0.2 -63,-0.1 -0.715 26.4-103.9 -84.4 137.6 32.0 59.8 20.0 290 290 A D - 0 0 20 -63,-2.8 -64,-0.1 -2,-0.4 -61,-0.1 -0.357 23.8-147.2 -53.1 134.6 35.3 61.1 18.9 291 291 A T + 0 0 136 -66,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.438 53.7 130.5 -88.9 -1.2 37.1 62.7 21.8 292 292 A I - 0 0 29 -67,-0.2 2,-0.2 1,-0.1 -63,-0.1 -0.218 67.7-108.0 -51.8 139.2 38.8 65.3 19.7 293 293 A K >> - 0 0 116 1,-0.1 3,-1.0 2,-0.0 4,-1.0 -0.506 22.2-124.5 -69.5 139.4 38.4 68.8 21.1 294 294 A L H >> S+ 0 0 19 1,-0.3 4,-1.8 -207,-0.2 3,-0.9 0.890 111.1 54.1 -53.5 -42.5 36.1 71.0 19.0 295 295 A E H 3> S+ 0 0 40 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.785 101.9 58.8 -65.3 -27.3 38.7 73.7 18.5 296 296 A D H <4 S+ 0 0 48 -3,-1.0 4,-0.5 2,-0.2 -1,-0.3 0.702 103.1 52.6 -78.2 -19.4 41.1 71.1 17.2 297 297 A I H X< S+ 0 0 1 -4,-1.0 3,-1.5 -3,-0.9 4,-0.3 0.950 111.5 45.9 -67.6 -55.8 38.7 70.3 14.4 298 298 A A H >< S+ 0 0 14 -4,-1.8 3,-1.6 1,-0.3 4,-0.5 0.845 102.2 66.3 -57.1 -37.1 38.5 73.9 13.5 299 299 A K T 3< S+ 0 0 121 -4,-2.1 -1,-0.3 1,-0.3 4,-0.2 0.787 107.5 40.8 -52.2 -33.7 42.3 74.3 13.6 300 300 A N T <> S+ 0 0 20 -3,-1.5 4,-2.4 -4,-0.5 -1,-0.3 0.364 85.5 99.5-100.5 3.8 42.6 72.0 10.6 301 301 A Y H <> S+ 0 0 17 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 0.916 83.0 47.8 -60.2 -47.5 39.7 73.3 8.5 302 302 A E H > S+ 0 0 131 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.916 112.9 48.9 -64.9 -39.5 41.7 75.4 6.2 303 303 A A H > S+ 0 0 37 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 111.9 50.0 -63.8 -40.0 44.2 72.6 5.6 304 304 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 108.9 50.9 -65.1 -43.1 41.3 70.2 4.9 305 305 A L H X S+ 0 0 51 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.905 108.1 53.5 -61.3 -40.3 39.7 72.6 2.5 306 306 A K H X S+ 0 0 137 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.901 108.1 50.3 -59.8 -42.5 43.1 72.9 0.7 307 307 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.901 107.3 53.2 -63.3 -41.5 43.2 69.1 0.3 308 308 A V H <>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 4,-0.4 0.911 112.8 44.4 -61.4 -42.1 39.7 69.0 -1.1 309 309 A D H ><5S+ 0 0 83 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.922 111.4 53.8 -65.4 -44.0 40.7 71.6 -3.7 310 310 A E H 3<5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.879 112.5 42.3 -60.2 -41.6 44.1 69.8 -4.4 311 311 A V T 3<5S- 0 0 12 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.503 104.9-131.6 -84.7 -4.2 42.4 66.4 -5.1 312 312 A K T X 5 + 0 0 85 -3,-1.0 3,-1.7 -4,-0.4 -3,-0.2 0.925 35.8 179.5 52.7 51.6 39.6 68.2 -7.1 313 313 A F T 3