==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/SIDEROPHORE 31-AUG-12 4B8Y . COMPND 2 MOLECULE: FHUD2; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS NC . AUTHOR E.MALITO,M.J.BOTTOMLEY,G.SPRAGGON . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 4 1 2 2 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 2 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 . 1 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 226 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 -33.2 4.7 -14.5 2 27 A K - 0 0 192 2,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.057 360.0-127.4 158.6 89.1 -31.3 7.5 -12.7 3 28 A A - 0 0 69 1,-0.1 2,-0.2 16,-0.0 0, 0.0 -0.221 36.9-105.3 -51.1 134.0 -30.5 7.3 -9.0 4 29 A E - 0 0 130 15,-0.1 16,-2.7 17,-0.1 17,-0.5 -0.475 42.9-153.2 -65.0 132.6 -31.7 10.5 -7.2 5 30 A T E -A 19 0A 76 14,-0.3 2,-0.3 -2,-0.2 12,-0.1 -0.750 10.1-154.1-111.8 155.0 -28.7 12.7 -6.4 6 31 A K E -A 18 0A 48 12,-3.2 12,-2.6 -2,-0.3 2,-0.3 -0.905 26.6-107.9-121.9 154.6 -28.0 15.3 -3.8 7 32 A S E -A 17 0A 89 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.604 34.1-170.6 -79.0 139.3 -25.7 18.3 -3.9 8 33 A Y E -A 16 0A 28 8,-2.2 8,-2.5 -2,-0.3 2,-0.7 -0.980 17.5-143.2-136.9 123.3 -22.5 18.0 -1.8 9 34 A K E -A 15 0A 152 -2,-0.4 6,-0.3 6,-0.2 5,-0.1 -0.770 25.9-149.6 -84.7 115.9 -20.1 20.8 -1.0 10 35 A M > - 0 0 14 4,-3.4 3,-2.0 -2,-0.7 93,-0.1 -0.188 30.4 -94.2 -80.2 171.6 -16.6 19.3 -1.0 11 36 A D T 3 S+ 0 0 26 91,-0.7 92,-0.1 1,-0.3 -1,-0.1 0.742 124.3 57.5 -55.3 -28.7 -13.6 20.5 1.1 12 37 A D T 3 S- 0 0 99 90,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.352 120.6-107.1 -87.0 6.3 -12.3 22.7 -1.8 13 38 A G S < S+ 0 0 44 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.251 80.0 128.9 87.6 -12.9 -15.6 24.6 -1.9 14 39 A K - 0 0 139 -5,-0.1 -4,-3.4 1,-0.0 2,-0.4 -0.524 53.5-135.9 -75.8 141.9 -16.8 22.9 -5.1 15 40 A T E -A 9 0A 97 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.797 23.9-175.4 -97.8 140.5 -20.3 21.3 -5.1 16 41 A V E -A 8 0A 32 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.7 -0.946 27.6-117.7-133.7 153.1 -20.7 17.9 -6.7 17 42 A D E +A 7 0A 95 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.833 40.8 169.1 -95.4 117.3 -23.8 15.7 -7.4 18 43 A I E -A 6 0A 0 -12,-2.6 -12,-3.2 -2,-0.7 63,-0.1 -0.822 42.3 -82.8-121.8 162.7 -23.6 12.4 -5.5 19 44 A P E -A 5 0A 7 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.419 25.7-138.9 -66.1 138.8 -26.2 9.7 -4.9 20 45 A K S S+ 0 0 99 -16,-2.7 -15,-0.1 1,-0.3 -17,-0.0 0.886 105.2 22.2 -54.3 -41.6 -28.6 10.3 -2.1 21 46 A D S S- 0 0 99 -17,-0.5 -1,-0.3 -3,-0.0 100,-0.1 -0.706 87.5-153.0-131.2 81.7 -28.1 6.6 -1.3 22 47 A P - 0 0 9 0, 0.0 20,-0.4 0, 0.0 3,-0.2 -0.314 13.3-177.4 -63.6 132.4 -24.8 5.3 -2.7 23 48 A K S S+ 0 0 124 1,-0.2 2,-0.3 18,-0.1 0, 0.0 0.619 71.0 35.1-101.5 -22.4 -25.0 1.6 -3.4 24 49 A R S S- 0 0 92 19,-0.1 56,-2.1 2,-0.0 57,-1.1 -0.732 70.2-174.3-143.1 89.0 -21.4 0.8 -4.7 25 50 A I E -bc 43 81B 0 17,-3.1 19,-2.2 -2,-0.3 20,-1.2 -0.716 14.4-157.1 -96.6 130.0 -18.6 2.7 -3.1 26 51 A A E -bc 45 82B 0 55,-2.5 57,-2.5 -2,-0.4 2,-1.1 -0.924 11.5-160.7 -98.5 113.6 -15.0 2.5 -4.2 27 52 A V E +bc 46 83B 0 18,-3.3 20,-1.8 -2,-0.7 57,-0.1 -0.754 24.4 160.6-100.5 89.6 -12.8 3.6 -1.2 28 53 A V + 0 0 2 55,-1.5 56,-0.2 -2,-1.1 -1,-0.2 0.849 65.8 63.8 -76.6 -35.2 -9.5 4.5 -2.7 29 54 A A S > S- 0 0 0 54,-1.8 3,-1.5 -3,-0.2 4,-0.2 -0.804 76.7-155.9 -92.6 111.2 -8.4 6.5 0.3 30 55 A P G >> S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.665 80.3 79.3 -76.4 -10.0 -8.2 4.0 3.1 31 56 A T G 34 S+ 0 0 7 1,-0.2 4,-0.4 2,-0.1 225,-0.3 0.860 98.8 46.6 -52.1 -35.9 -8.6 6.5 6.0 32 57 A Y G <> S+ 0 0 0 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.407 88.2 88.7 -92.2 2.1 -12.4 6.4 5.1 33 58 A A H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.947 88.3 43.0 -70.2 -51.3 -12.9 2.6 4.8 34 59 A G H X S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.2 -1,-0.2 0.864 113.7 52.5 -64.9 -37.7 -13.7 1.6 8.4 35 60 A G H > S+ 0 0 1 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.871 112.0 44.2 -66.2 -39.0 -16.0 4.5 8.9 36 61 A L H <>S+ 0 0 0 -4,-1.6 5,-2.1 2,-0.2 -2,-0.2 0.854 113.6 51.4 -74.2 -36.6 -18.1 3.8 5.9 37 62 A K H ><5S+ 0 0 81 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.915 105.3 56.4 -61.4 -43.2 -18.1 0.1 6.7 38 63 A K H 3<5S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 104.8 53.7 -57.4 -34.7 -19.3 1.0 10.3 39 64 A L T 3<5S- 0 0 7 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.297 119.9-108.8 -85.9 8.7 -22.3 2.8 8.7 40 65 A G T < 5 + 0 0 56 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.667 61.2 161.6 78.0 16.5 -23.3 -0.2 6.6 41 66 A A < - 0 0 17 -5,-2.1 2,-0.9 1,-0.1 -1,-0.2 -0.405 44.3-118.6 -71.7 143.5 -22.2 1.2 3.3 42 67 A N - 0 0 89 -20,-0.4 -17,-3.1 -2,-0.1 2,-0.5 -0.784 31.3-167.4 -88.3 109.5 -21.7 -1.2 0.4 43 68 A I E +b 25 0B 12 -2,-0.9 -17,-0.2 -19,-0.2 3,-0.1 -0.867 14.3 179.0-102.4 121.3 -18.0 -1.0 -0.5 44 69 A V E S+ 0 0 14 -19,-2.2 20,-0.5 -2,-0.5 2,-0.3 0.499 72.5 21.8-104.8 -8.0 -17.2 -2.7 -3.9 45 70 A A E -bd 26 64B 0 -20,-1.2 -18,-3.3 18,-0.1 2,-0.3 -0.939 66.1-178.0-157.1 139.6 -13.4 -1.8 -3.9 46 71 A V E -bd 27 65B 0 18,-2.6 20,-1.9 -2,-0.3 -18,-0.2 -0.992 38.2 -93.6-143.7 145.6 -11.0 -0.8 -1.1 47 72 A N E > - d 0 66B 8 -20,-1.8 3,-2.0 -2,-0.3 20,-0.2 -0.360 34.8-128.2 -57.8 129.5 -7.4 0.2 -0.9 48 73 A Q G > S+ 0 0 112 18,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.645 97.0 85.6 -56.4 -19.3 -5.3 -2.9 -0.3 49 74 A Q G > S+ 0 0 45 17,-0.3 3,-2.3 1,-0.3 -1,-0.3 0.799 71.1 75.1 -54.7 -27.7 -3.6 -1.1 2.7 50 75 A V G X S+ 0 0 0 -3,-2.0 3,-1.9 1,-0.3 7,-0.3 0.806 80.9 72.1 -55.4 -25.2 -6.5 -2.2 4.9 51 76 A D G < S+ 0 0 62 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.530 84.2 67.3 -69.0 -6.0 -4.9 -5.7 4.9 52 77 A Q G < S+ 0 0 118 -3,-2.3 2,-0.4 199,-0.2 -1,-0.3 0.531 86.1 89.6 -86.9 -8.8 -2.1 -4.3 7.2 53 78 A S <> - 0 0 4 -3,-1.9 4,-1.5 -4,-0.2 5,-0.2 -0.778 67.1-150.9 -95.9 131.4 -4.6 -3.9 10.0 54 79 A K T 4 S+ 0 0 141 -2,-0.4 4,-0.2 1,-0.2 -1,-0.1 0.660 103.7 41.2 -63.8 -17.9 -5.4 -6.6 12.6 55 80 A V T > S+ 0 0 21 -5,-0.1 4,-0.5 2,-0.1 -1,-0.2 0.858 118.6 37.6 -97.8 -46.8 -8.8 -4.9 12.8 56 81 A L H > S+ 0 0 0 -6,-0.2 4,-1.0 1,-0.2 -2,-0.1 0.728 97.2 74.7 -86.9 -22.3 -9.8 -4.0 9.2 57 82 A K H >< S+ 0 0 115 -4,-1.5 3,-1.2 -7,-0.3 -1,-0.2 0.946 100.0 45.1 -58.7 -48.5 -8.5 -7.0 7.2 58 83 A D H >4 S+ 0 0 111 1,-0.3 3,-1.0 -5,-0.2 -1,-0.2 0.821 107.7 60.7 -63.5 -32.2 -11.2 -9.4 8.4 59 84 A K H 3< S+ 0 0 63 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.669 107.4 44.1 -70.1 -19.5 -13.8 -6.6 7.7 60 85 A F T X< S+ 0 0 2 -3,-1.2 3,-1.7 -4,-1.0 -1,-0.2 0.058 74.8 141.1-116.4 26.3 -12.9 -6.4 4.0 61 86 A K T < S+ 0 0 140 -3,-1.0 3,-0.1 1,-0.2 -3,-0.0 -0.481 75.2 20.5 -65.1 133.5 -12.7 -10.1 3.1 62 87 A G T 3 S+ 0 0 89 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.474 96.5 120.6 86.8 -0.2 -14.2 -10.7 -0.4 63 88 A V S < S- 0 0 30 -3,-1.7 -1,-0.3 1,-0.0 -18,-0.1 -0.877 73.8-106.7 -98.7 126.4 -13.8 -7.0 -1.3 64 89 A T E -d 45 0B 46 -2,-0.5 -18,-2.6 -20,-0.5 2,-0.4 -0.247 34.9-140.7 -46.4 126.7 -11.7 -6.2 -4.4 65 90 A K E -d 46 0B 54 -20,-0.2 2,-0.3 -17,-0.1 -18,-0.2 -0.749 20.5-173.5 -96.1 139.5 -8.4 -4.8 -3.3 66 91 A I E -d 47 0B 1 -20,-1.9 -18,-3.0 -2,-0.4 -17,-0.3 -0.957 12.9-147.0-131.5 150.6 -6.8 -1.9 -5.2 67 92 A G > - 0 0 22 -2,-0.3 3,-1.5 -20,-0.2 2,-0.0 -0.566 48.9 -65.0-103.0 176.2 -3.4 -0.1 -5.1 68 93 A D T 3 S+ 0 0 130 1,-0.2 -1,-0.1 -2,-0.2 3,-0.0 -0.350 120.0 18.1 -62.5 138.6 -2.8 3.6 -5.8 69 94 A G T 3 S+ 0 0 34 1,-0.1 2,-2.0 -3,-0.1 3,-0.3 0.367 79.5 132.7 85.5 -4.6 -3.4 4.5 -9.5 70 95 A D <> + 0 0 53 -3,-1.5 4,-1.8 1,-0.2 5,-0.1 -0.430 14.0 153.4 -86.0 72.6 -5.6 1.5 -10.5 71 96 A V H > + 0 0 26 -2,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.852 69.5 58.2 -65.3 -36.5 -8.4 3.3 -12.2 72 97 A E H > S+ 0 0 156 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.928 106.7 46.7 -62.7 -45.6 -9.1 0.3 -14.4 73 98 A K H > S+ 0 0 112 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.897 114.0 48.5 -62.3 -41.4 -9.8 -2.0 -11.4 74 99 A V H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.945 110.5 51.1 -62.9 -47.0 -12.0 0.7 -9.8 75 100 A A H >< S+ 0 0 31 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.900 102.7 60.7 -55.5 -45.5 -13.9 1.2 -13.1 76 101 A K H 3< S+ 0 0 165 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.721 96.7 59.4 -55.2 -26.1 -14.5 -2.6 -13.4 77 102 A E T << S- 0 0 44 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.404 103.0-134.8 -85.1 5.7 -16.4 -2.6 -10.1 78 103 A K < - 0 0 170 -3,-2.2 -3,-0.1 -4,-0.1 -2,-0.1 0.889 31.9-167.4 41.4 59.7 -18.9 -0.0 -11.6 79 104 A P - 0 0 11 0, 0.0 -54,-0.2 0, 0.0 3,-0.1 -0.363 26.3-156.6 -77.1 156.1 -18.9 2.3 -8.5 80 105 A D S S+ 0 0 38 -56,-2.1 2,-0.3 1,-0.3 -55,-0.2 0.366 84.7 27.3-107.3 0.8 -21.5 5.0 -8.0 81 106 A L E -c 25 0B 0 -57,-1.1 -55,-2.5 17,-0.1 2,-0.4 -0.943 67.1-162.4-160.6 135.8 -19.2 7.0 -5.7 82 107 A I E -ce 26 100B 0 17,-2.1 19,-2.9 -2,-0.3 2,-0.5 -0.988 6.5-154.6-126.7 133.7 -15.4 7.1 -5.4 83 108 A I E +ce 27 101B 0 -57,-2.5 -54,-1.8 -2,-0.4 -55,-1.5 -0.955 24.7 157.0-112.1 123.2 -13.5 8.4 -2.3 84 109 A V E - e 0 102B 0 17,-2.3 19,-2.7 -2,-0.5 2,-0.2 -0.892 40.1-103.5-135.7 160.6 -9.9 9.8 -2.7 85 110 A Y E > - e 0 103B 37 -2,-0.3 3,-1.9 17,-0.2 19,-0.2 -0.555 33.1-114.1 -75.8 156.1 -7.6 12.1 -0.8 86 111 A S T 3 S+ 0 0 48 17,-2.5 18,-0.1 1,-0.3 -1,-0.1 0.682 117.9 59.0 -57.4 -18.4 -6.9 15.7 -2.1 87 112 A T T 3 S+ 0 0 78 16,-0.3 -1,-0.3 4,-0.0 2,-0.3 0.447 75.8 122.1 -93.7 -1.7 -3.3 14.5 -2.7 88 113 A D X - 0 0 25 -3,-1.9 3,-0.9 1,-0.1 -4,-0.0 -0.467 51.8-155.4 -66.3 124.5 -4.4 11.7 -5.2 89 114 A K T 3 S+ 0 0 204 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.568 87.8 59.4 -80.3 -8.3 -2.7 12.3 -8.6 90 115 A D T 3> + 0 0 37 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 0.156 65.3 119.6-106.7 21.0 -5.4 10.4 -10.5 91 116 A I H <> S+ 0 0 32 -3,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.891 73.7 51.1 -55.0 -46.3 -8.4 12.5 -9.5 92 117 A K H > S+ 0 0 155 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.919 110.4 51.0 -59.5 -38.9 -9.4 13.6 -13.0 93 118 A K H >> S+ 0 0 115 -3,-0.2 3,-0.7 1,-0.2 4,-0.6 0.939 109.6 48.9 -64.2 -47.3 -9.3 9.9 -14.1 94 119 A Y H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-1.5 0.901 104.1 62.0 -53.6 -43.0 -11.6 8.9 -11.2 95 120 A Q H 3< S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 98.2 55.3 -57.0 -31.8 -14.0 11.7 -12.1 96 121 A K H << S+ 0 0 159 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.701 110.7 48.4 -74.9 -18.0 -14.7 10.2 -15.6 97 122 A V H << S- 0 0 51 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.909 126.5 -28.9 -86.1 -49.2 -15.7 7.0 -13.8 98 123 A A S < S- 0 0 9 -4,-1.8 -1,-0.3 -18,-0.0 -17,-0.1 -0.965 85.5 -60.4-160.8 161.7 -18.1 8.1 -11.0 99 124 A P - 0 0 52 0, 0.0 -17,-2.1 0, 0.0 2,-0.6 -0.337 60.1-150.1 -49.3 129.2 -18.8 11.2 -8.8 100 125 A T E -e 82 0B 7 -19,-0.2 2,-0.7 -5,-0.1 -17,-0.2 -0.943 8.4-150.8-117.5 116.3 -15.5 11.5 -6.9 101 126 A V E -e 83 0B 3 -19,-2.9 -17,-2.3 -2,-0.6 2,-0.7 -0.773 12.2-157.5 -86.3 118.2 -15.5 12.9 -3.3 102 127 A V E -e 84 0B 20 -2,-0.7 -91,-0.7 -19,-0.2 2,-0.5 -0.864 9.1-163.8-102.3 110.8 -12.1 14.5 -2.8 103 128 A V E -e 85 0B 1 -19,-2.7 -17,-2.5 -2,-0.7 2,-0.8 -0.850 16.7-145.0-103.5 128.2 -11.3 14.7 1.0 104 129 A D > - 0 0 55 -2,-0.5 3,-2.5 -19,-0.2 4,-0.3 -0.832 19.1-150.0 -87.2 106.8 -8.6 17.0 2.3 105 130 A Y G > S+ 0 0 31 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.862 90.1 51.4 -53.1 -43.9 -7.3 14.8 5.1 106 131 A N G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.489 92.1 77.0 -79.1 1.3 -6.3 17.5 7.4 107 132 A K G < S+ 0 0 122 -3,-2.5 2,-0.4 1,-0.1 -1,-0.3 0.598 92.7 54.3 -83.9 -10.3 -9.6 19.4 7.2 108 133 A H S < S- 0 0 25 -3,-1.4 -1,-0.1 -4,-0.3 2,-0.1 -0.975 70.8-143.3-132.9 121.9 -11.4 17.0 9.6 109 134 A K > - 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I 0 200C 3 -11,-0.5 32,-0.3 -2,-0.3 -11,-0.2 -0.926 9.8-130.7-138.5 153.9 2.6 13.2 15.5 169 194 A G > - 0 0 5 30,-2.5 3,-0.5 -2,-0.3 -1,-0.1 0.123 59.4 -70.6 -80.8-152.8 0.1 15.7 16.8 170 195 A D T 3 S+ 0 0 48 1,-0.2 11,-0.2 10,-0.1 10,-0.1 0.389 123.1 37.9 -92.0 3.0 -3.3 14.6 18.0 171 196 A N T 3 S+ 0 0 14 28,-0.3 -1,-0.2 5,-0.1 -63,-0.1 -0.063 82.3 90.2-150.3 42.8 -4.9 13.6 14.7 172 197 A W S < S- 0 0 41 1,-0.5 -1,-0.1 -3,-0.5 -2,-0.1 -0.124 89.9-113.2-127.7 36.3 -2.4 11.9 12.3 173 198 A G S > S+ 0 0 1 1,-0.1 3,-1.6 -3,-0.1 -1,-0.5 -0.205 79.0 115.5 68.7-158.7 -3.1 8.3 13.4 174 199 A R T 3 S- 0 0 19 79,-1.8 80,-0.2 1,-0.3 -1,-0.1 0.616 115.4 -60.9 65.7 17.3 -0.6 6.1 15.3 175 200 A G T >> S+ 0 0 0 78,-0.8 4,-2.7 80,-0.3 3,-0.5 0.400 107.0 125.3 96.9 -0.2 -3.0 6.2 18.2 176 201 A G H <>> + 0 0 0 -3,-1.6 4,-2.7 1,-0.2 5,-0.6 0.858 66.6 58.0 -64.0 -37.1 -2.8 9.9 18.7 177 202 A E H 3>>S+ 0 0 0 2,-0.2 5,-2.5 1,-0.2 4,-1.0 0.874 114.4 38.2 -60.1 -36.4 -6.5 10.5 18.5 178 203 A V H <4>S+ 0 0 0 -3,-0.5 5,-3.1 3,-0.2 6,-0.3 0.928 119.4 46.8 -83.3 -44.3 -7.1 8.1 21.4 179 204 A L H <5S+ 0 0 0 -4,-2.7 6,-2.3 1,-0.2 -2,-0.2 0.932 127.5 22.8 -57.3 -49.2 -4.1 9.2 23.5 180 205 A Y H <5S+ 0 0 21 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.686 134.8 23.8-104.0 -22.8 -4.5 12.9 23.2 181 206 A Q T < - 0 0 16 -33,-1.4 4,-2.3 -2,-0.2 3,-0.2 -0.363 39.6-127.1 -57.8 132.3 4.9 16.0 25.5 189 214 A P H > S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.793 104.0 46.2 -63.3 -34.1 5.3 19.8 25.1 190 215 A E H > S+ 0 0 62 20,-0.3 4,-2.4 2,-0.2 5,-0.2 0.872 111.8 54.0 -76.7 -31.8 8.1 19.9 22.5 191 216 A Q H > S+ 0 0 0 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 109.6 48.1 -59.9 -44.2 6.2 17.3 20.5 192 217 A Q H X S+ 0 0 96 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.903 112.2 48.1 -61.5 -45.4 3.2 19.5 20.5 193 218 A K H < S+ 0 0 135 -4,-1.9 3,-0.4 -5,-0.2 4,-0.4 0.909 113.8 46.6 -63.1 -43.9 5.1 22.6 19.5 194 219 A L H < S+ 0 0 70 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.899 120.2 37.4 -67.7 -41.9 6.9 20.8 16.6 195 220 A T H X S+ 0 0 4 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.406 88.5 102.8 -90.4 -1.7 3.7 19.1 15.2 196 221 A A T < S+ 0 0 59 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 0.853 88.1 31.5 -53.6 -43.9 1.4 22.1 15.9 197 222 A K T 4 S+ 0 0 210 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.932 132.0 27.6 -83.0 -45.7 1.1 23.4 12.3 198 223 A A T 4 S- 0 0 45 -4,-0.4 -2,-0.2 2,-0.2 -3,-0.1 0.782 93.9-127.6 -88.7 -32.1 1.5 20.3 10.2 199 224 A G S < S+ 0 0 18 -4,-2.2 -30,-2.5 -7,-0.1 -28,-0.3 0.354 86.2 44.7 95.6 -1.6 0.1 17.7 12.6 200 225 A W E -I 168 0C 60 -32,-0.3 2,-0.3 -6,-0.2 -32,-0.3 -0.974 65.6-172.5-162.8 157.3 3.2 15.5 12.1 201 226 A A E -I 167 0C 10 -34,-2.9 -34,-2.8 -2,-0.3 2,-0.4 -0.964 27.8-118.4-163.9 146.0 7.0 15.9 12.0 202 227 A E E -I 166 0C 68 -2,-0.3 2,-0.5 -36,-0.2 -36,-0.2 -0.681 34.5-148.9 -77.2 136.2 10.3 14.4 11.4 203 228 A V - 0 0 2 -38,-2.8 2,-0.6 -2,-0.4 -38,-0.4 -0.912 18.5-119.4-111.6 129.4 12.5 14.4 14.5 204 229 A K > - 0 0 117 -2,-0.5 3,-2.9 1,-0.2 -38,-0.0 -0.571 28.2-140.5 -65.3 113.6 16.3 14.7 14.4 205 230 A Q G > S+ 0 0 74 -2,-0.6 3,-1.0 1,-0.3 4,-0.2 0.695 98.3 59.1 -58.9 -24.1 17.0 11.3 16.1 206 231 A E G 3 S+ 0 0 168 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.559 104.8 53.3 -79.8 -6.5 20.0 12.8 18.1 207 232 A E G X S+ 0 0 83 -3,-2.9 3,-1.3 1,-0.1 4,-0.5 0.128 72.8 114.4-106.6 15.8 17.5 15.2 19.6 208 233 A I G X> + 0 0 0 -3,-1.0 3,-1.9 1,-0.3 4,-0.5 0.867 67.1 63.0 -62.2 -34.8 15.0 12.5 20.8 209 234 A E G >4 S+ 0 0 144 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.813 95.6 62.7 -58.9 -27.3 15.5 13.3 24.5 210 235 A K G <4 S+ 0 0 92 -3,-1.3 -20,-0.3 1,-0.2 -1,-0.3 0.766 111.8 35.9 -64.3 -27.7 14.1 16.8 23.8 211 236 A Y G <4 S+ 0 0 18 -3,-1.9 2,-0.5 -4,-0.5 -1,-0.2 0.262 91.2 110.9-113.3 3.8 10.8 15.1 22.8 212 237 A A << - 0 0 21 -3,-0.7 26,-0.1 -4,-0.5 4,-0.1 -0.732 46.0-172.2 -93.2 123.7 10.6 12.2 25.2 213 238 A G - 0 0 9 -2,-0.5 26,-0.4 2,-0.4 -58,-0.2 -0.041 45.7 -74.0-100.4-157.8 8.0 12.4 28.0 214 239 A D S S+ 0 0 78 -60,-0.5 2,-0.3 1,-0.1 -59,-0.2 0.793 121.2 23.0 -71.4 -28.7 7.1 10.5 31.1 215 240 A Y E S-g 155 0C 12 -61,-1.6 -59,-2.6 2,-0.0 -2,-0.4 -0.961 74.3-152.9-135.1 149.1 5.7 7.6 29.0 216 241 A I E -gj 156 245C 0 28,-2.2 30,-3.2 -2,-0.3 2,-0.5 -0.994 3.2-161.4-130.0 126.4 6.5 6.8 25.4 217 242 A V E -gj 157 246C 0 -61,-2.7 -59,-2.4 -2,-0.4 2,-0.4 -0.910 17.1-175.4-102.3 127.4 4.3 5.0 22.9 218 243 A S E -gj 158 247C 0 28,-2.6 30,-2.1 -2,-0.5 2,-0.9 -0.996 29.0-138.2-128.8 135.2 6.3 3.6 20.0 219 244 A T S S+ 0 0 6 -61,-2.0 31,-0.7 -2,-0.4 -59,-0.1 0.011 74.4 108.3 -84.1 35.6 4.7 1.9 16.9 220 245 A S B > +K 249 0D 8 -2,-0.9 3,-1.9 29,-0.1 -1,-0.2 0.283 36.5 138.2 -98.8 8.2 7.5 -0.8 17.0 221 246 A E T 3 S+ 0 0 62 27,-1.7 29,-0.3 -3,-0.4 27,-0.0 -0.325 77.6 8.1 -61.4 131.9 5.4 -3.8 18.2 222 247 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 27,-0.1 -2,-0.1 0.586 110.7 106.5 76.7 11.5 6.3 -7.0 16.3 223 248 A K S < S- 0 0 115 -3,-1.9 -1,-0.3 1,-0.1 2,-0.1 -0.781 80.2 -94.0-115.7 159.9 9.2 -5.4 14.5 224 249 A P - 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.446 67.1 -76.3 -65.2 148.8 12.9 -5.6 14.8 225 250 A T - 0 0 95 -2,-0.1 5,-0.1 1,-0.1 -4,-0.0 -0.281 56.9-128.9 -50.1 115.9 14.3 -2.9 17.1 226 251 A P >> - 0 0 11 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.262 22.1-104.3 -64.7 157.1 14.2 0.4 15.0 227 252 A G G >4 S+ 0 0 37 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.890 121.1 55.3 -43.7 -45.9 17.3 2.6 14.7 228 253 A Y G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.647 107.7 47.2 -72.6 -16.4 15.8 5.1 17.2 229 254 A E G <4 S+ 0 0 13 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.392 104.9 63.5 -96.3 1.0 15.2 2.5 19.9 230 255 A S S << S+ 0 0 61 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.484 79.6 100.0-105.4 -5.0 18.8 1.1 19.6 231 256 A T S > S- 0 0 36 -4,-0.4 4,-1.7 -3,-0.1 5,-0.1 -0.264 79.5-120.6 -79.6 166.2 20.8 4.1 20.6 232 257 A N H > S+ 0 0 118 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.769 116.5 62.3 -71.8 -26.8 22.5 4.8 23.9 233 258 A M H 4 S+ 0 0 62 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.921 104.5 45.2 -61.5 -44.3 20.3 7.9 23.9 234 259 A W H >4 S+ 0 0 16 1,-0.2 3,-1.4 2,-0.2 6,-0.2 0.919 109.4 55.9 -64.6 -44.1 17.2 5.7 23.9 235 260 A K H 3< S+ 0 0 117 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 110.0 46.5 -61.4 -24.6 18.6 3.5 26.6 236 261 A N T 3< S+ 0 0 89 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.384 79.1 120.0-104.3 2.2 19.1 6.5 28.9 237 262 A L S <> S- 0 0 9 -3,-1.4 4,-2.8 -4,-0.4 5,-0.2 -0.462 70.5-127.3 -59.6 138.1 15.7 8.2 28.4 238 263 A K H > S+ 0 0 169 1,-0.2 4,-2.3 2,-0.2 6,-0.2 0.891 110.8 55.3 -57.2 -42.2 14.0 8.4 31.8 239 264 A A H 4>S+ 0 0 3 -26,-0.4 5,-3.1 2,-0.2 4,-0.5 0.906 110.5 45.5 -58.6 -40.7 10.9 6.7 30.3 240 265 A T H >45S+ 0 0 35 -6,-0.2 3,-1.5 1,-0.2 -2,-0.2 0.964 113.0 48.9 -66.7 -51.3 13.1 3.8 29.1 241 266 A K H 3<5S+ 0 0 139 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.809 112.7 50.2 -56.2 -32.4 14.9 3.5 32.5 242 267 A E T 3<5S- 0 0 134 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.505 114.0-113.7 -85.9 -6.9 11.5 3.6 34.3 243 268 A G T < 5S+ 0 0 50 -3,-1.5 -3,-0.2 -4,-0.5 34,-0.2 0.808 73.4 136.1 77.3 31.0 9.9 0.8 32.2 244 269 A H < + 0 0 30 -5,-3.1 -28,-2.2 -6,-0.2 2,-0.5 -0.132 25.5 121.6-104.5 30.5 7.4 3.3 30.7 245 270 A I E -j 216 0C 38 -30,-0.2 2,-0.4 -5,-0.2 -28,-0.2 -0.854 40.3-168.3 -97.7 132.0 7.6 2.3 27.1 246 271 A V E -j 217 0C 4 -30,-3.2 -28,-2.6 -2,-0.5 2,-0.4 -0.982 7.5-157.7-115.3 129.5 4.3 1.1 25.4 247 272 A K E -j 218 0C 94 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.924 11.9-176.1-110.7 139.3 4.6 -0.6 22.0 248 273 A V - 0 0 0 -30,-2.1 -27,-1.7 -2,-0.4 2,-0.7 -0.871 34.4 -95.2-133.6 162.7 1.8 -0.8 19.4 249 274 A D B > -K 220 0D 25 -2,-0.3 4,-2.8 1,-0.2 3,-0.5 -0.659 28.5-159.1 -86.4 112.2 1.1 -2.3 16.1 250 275 A A H > S+ 0 0 26 -2,-0.7 4,-1.1 -31,-0.7 -76,-0.2 0.884 87.8 54.4 -60.5 -44.7 1.9 0.2 13.3 251 276 A G H 4 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.862 117.5 36.9 -60.2 -33.9 -0.3 -1.4 10.6 252 277 A T H >4 S+ 0 0 0 -3,-0.5 3,-1.1 1,-0.2 -2,-0.2 0.917 115.3 52.0 -83.2 -43.9 -3.3 -1.3 12.8 253 278 A Y H 3< S+ 0 0 0 -4,-2.8 -79,-1.8 1,-0.3 -78,-0.8 0.503 85.4 84.9 -76.6 -6.4 -2.8 2.0 14.6 254 279 A W T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 -81,-0.2 -2,-0.1 0.846 84.7 71.7 -61.2 -33.9 -2.3 3.9 11.4 255 280 A Y < - 0 0 2 -3,-1.1 -80,-0.3 -4,-0.2 -81,-0.1 -0.281 55.9-167.2 -83.9 169.1 -6.1 4.3 11.1 256 281 A N + 0 0 2 -225,-0.3 -1,-0.1 -83,-0.1 -3,-0.1 0.048 44.9 125.0-144.5 23.1 -8.7 6.4 13.1 257 282 A D S > S- 0 0 1 1,-0.1 4,-3.0 -144,-0.0 5,-0.2 -0.414 77.7 -93.1 -78.2 163.3 -12.1 4.9 12.1 258 283 A P H > S+ 0 0 6 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.808 123.2 47.8 -51.4 -39.9 -14.6 3.6 14.7 259 284 A Y H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.957 115.1 44.3 -67.1 -49.3 -13.4 -0.1 14.6 260 285 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.921 111.6 55.7 -59.6 -41.5 -9.8 0.8 14.9 261 286 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.903 105.6 50.0 -58.2 -46.6 -10.6 3.3 17.6 262 287 A D H X S+ 0 0 64 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.921 113.4 48.0 -59.3 -41.4 -12.4 0.7 19.8 263 288 A F H X S+ 0 0 58 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.943 113.3 44.2 -63.7 -50.7 -9.3 -1.5 19.4 264 289 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.4 0.863 108.6 60.7 -64.0 -36.1 -6.7 1.1 20.2 265 290 A R H X S+ 0 0 41 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.961 113.3 35.5 -51.0 -54.1 -8.9 2.3 23.2 266 291 A K H X S+ 0 0 101 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.945 118.7 50.1 -66.8 -50.6 -8.7 -1.2 24.8 267 292 A D H X S+ 0 0 21 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.927 114.8 42.1 -59.1 -49.3 -5.1 -1.9 23.8 268 293 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.889 112.4 53.5 -66.5 -41.5 -3.7 1.4 25.0 269 294 A K H X S+ 0 0 33 -4,-1.9 4,-2.2 -5,-0.4 5,-0.2 0.947 113.2 44.8 -57.7 -48.2 -5.7 1.4 28.2 270 295 A E H X S+ 0 0 101 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.943 117.9 42.8 -57.2 -52.4 -4.3 -2.1 29.0 271 296 A K H X S+ 0 0 36 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.860 113.8 50.4 -66.5 -40.6 -0.7 -1.2 28.1 272 297 A L H X S+ 0 0 0 -4,-3.2 4,-1.3 2,-0.2 -2,-0.2 0.946 111.1 48.5 -64.1 -48.1 -0.7 2.2 29.8 273 298 A I H < S+ 0 0 52 -4,-2.2 3,-0.3 -5,-0.3 -2,-0.2 0.911 114.6 46.9 -58.9 -42.2 -2.0 0.8 33.1 274 299 A K H >< S+ 0 0 135 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.2 0.870 109.1 53.0 -64.7 -38.9 0.6 -2.0 32.9 275 300 A A H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.729 103.9 59.5 -70.9 -19.0 3.4 0.4 32.1 276 301 A A T 3< 0 0 23 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.314 360.0 360.0 -89.6 5.8 2.4 2.5 35.2 277 302 A K < 0 0 200 -3,-1.4 -3,-0.1 -34,-0.2 -2,-0.0 0.155 360.0 360.0 -84.2 360.0 3.0 -0.4 37.7 278 !* 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 0.0 279 806 B G 0 0 55 0, 0.0 -81,-0.0 0, 0.0 -175,-0.0 0.000 360.0 360.0 360.0 174.4 -0.6 16.1 3.3 280 805 B G 0 0 79 1,-0.3 -193,-0.0 0, 0.0 0, 0.0 -0.219 360.0 360.0 -69.8 129.1 2.4 17.9 1.5 281 804 B G 0 0 98 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.119 360.0 360.0 102.1 360.0 5.6 15.9 2.0