==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON BINDING PROTEIN 12-AUG-13 4M7O . COMPND 2 MOLECULE: IRON-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR K.TAN,H.LI,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.9 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 . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 1 1 1 2 1 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 37 A K 0 0 143 0, 0.0 3,-0.1 0, 0.0 111,-0.1 0.000 360.0 360.0 360.0 -47.3 48.6 24.1 43.2 2 38 A K + 0 0 106 109,-0.4 2,-0.4 1,-0.3 110,-0.1 0.969 360.0 22.6 -79.0 -56.6 47.9 20.3 43.4 3 39 A Y + 0 0 36 108,-0.2 -1,-0.3 1,-0.1 3,-0.2 -0.925 61.4 179.7-110.1 140.8 48.0 19.3 39.7 4 40 A H S S+ 0 0 115 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.604 73.9 42.7-113.1 -19.9 49.9 21.5 37.3 5 41 A R S S+ 0 0 109 21,-0.1 57,-1.9 2,-0.0 58,-1.4 -0.698 72.4 175.1-135.3 79.8 49.5 19.7 34.0 6 42 A I E -ab 26 63A 0 19,-3.0 21,-2.9 -2,-0.3 22,-1.4 -0.679 18.3-158.6 -92.6 136.3 46.0 18.5 33.5 7 43 A I E -ab 28 64A 0 56,-3.1 58,-3.0 -2,-0.3 2,-0.5 -0.976 10.7-161.8-109.5 121.9 44.6 16.9 30.4 8 44 A S E - b 0 65A 0 20,-2.8 22,-0.2 -2,-0.5 38,-0.2 -0.918 8.6-174.3-107.8 126.4 40.8 17.1 30.1 9 45 A L + 0 0 1 56,-2.2 57,-0.1 -2,-0.5 39,-0.1 0.336 64.7 44.8-107.4 4.4 39.1 14.7 27.7 10 46 A I S > S- 0 0 30 55,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.993 79.0-122.4-147.0 142.0 35.5 15.7 27.7 11 47 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.875 109.1 56.9 -58.7 -38.2 34.0 19.2 27.5 12 48 A S H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 107.9 49.8 -56.5 -44.3 32.0 19.0 30.7 13 49 A N H > S+ 0 0 1 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.925 110.9 49.5 -54.2 -47.7 35.2 18.2 32.6 14 50 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.913 109.7 50.7 -62.9 -41.4 36.9 21.2 30.9 15 51 A E H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.901 111.7 47.8 -63.1 -40.8 34.1 23.5 31.8 16 52 A I H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.899 108.7 53.6 -67.8 -43.9 34.2 22.5 35.5 17 53 A L H <>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-0.3 0.899 109.9 48.3 -56.9 -43.5 38.0 22.8 35.7 18 54 A Y H ><5S+ 0 0 73 -4,-2.0 3,-1.6 1,-0.2 5,-0.4 0.906 109.4 52.3 -65.0 -40.6 37.7 26.4 34.4 19 55 A R H 3<5S+ 0 0 106 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.713 103.6 59.0 -71.4 -17.1 34.9 27.2 36.9 20 56 A L T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.523 120.6-110.5 -85.8 -5.7 37.1 25.9 39.7 21 57 A G T < 5S+ 0 0 52 -3,-1.6 3,-0.3 -4,-0.3 -3,-0.2 0.545 93.6 103.0 92.1 9.8 39.7 28.5 38.8 22 58 A I > < + 0 0 10 -5,-2.0 3,-1.9 1,-0.2 -4,-0.2 0.067 31.4 116.6-116.4 27.2 42.3 26.1 37.4 23 59 A G G > S+ 0 0 5 -5,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.831 74.0 63.1 -58.9 -31.5 41.9 26.5 33.6 24 60 A E G 3 S+ 0 0 124 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.472 95.3 60.5 -73.2 -0.9 45.4 27.8 33.5 25 61 A D G < S+ 0 0 38 -3,-1.9 -19,-3.0 -8,-0.1 2,-0.5 0.352 81.8 102.2-105.3 5.6 46.6 24.4 34.7 26 62 A I E < +a 6 0A 10 -3,-1.5 -19,-0.2 -21,-0.2 3,-0.1 -0.783 39.4 173.5 -95.9 125.6 45.2 22.5 31.7 27 63 A V E + 0 0 27 -21,-2.9 17,-3.3 -2,-0.5 2,-0.3 0.603 67.8 26.9-104.3 -17.4 47.7 21.5 29.0 28 64 A G E +ac 7 44A 0 -22,-1.4 -20,-2.8 15,-0.3 -1,-0.3 -0.999 56.3 175.7-147.9 145.5 45.4 19.5 26.8 29 65 A V E - c 0 45A 0 15,-2.9 17,-2.4 -2,-0.3 -20,-0.2 -0.784 39.8 -85.0-134.4-178.7 41.7 19.3 25.9 30 66 A S E > - c 0 46A 2 -2,-0.3 3,-1.6 15,-0.2 17,-0.2 -0.486 37.0-109.6 -89.4 165.4 39.7 17.2 23.5 31 67 A T T 3 S+ 0 0 51 15,-2.2 16,-0.1 1,-0.3 -1,-0.1 0.599 117.9 52.0 -68.3 -11.8 39.2 18.1 19.8 32 68 A V T 3 S+ 0 0 98 14,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.279 73.7 127.9-109.5 10.4 35.5 18.8 20.6 33 69 A D < + 0 0 4 -3,-1.6 7,-0.2 1,-0.1 -4,-0.1 -0.522 23.1 164.9 -67.5 131.2 36.0 21.2 23.5 34 70 A D + 0 0 82 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.255 33.2 110.3-133.5 3.6 34.0 24.4 22.7 35 71 A Y + 0 0 101 2,-0.1 -1,-0.2 3,-0.1 2,-0.2 -0.983 62.8 22.6-153.0 136.0 33.7 26.3 26.0 36 72 A P S > S- 0 0 33 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.536 104.2 -81.4 -79.4-168.8 34.8 28.7 27.2 37 73 A K T 3 S+ 0 0 169 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.0 -0.295 114.4 2.1 -55.4 132.2 35.8 31.0 24.3 38 74 A D T > S+ 0 0 90 -4,-0.1 3,-1.0 1,-0.1 -1,-0.3 0.722 81.6 148.6 64.3 24.0 39.2 30.1 22.9 39 75 A V T < + 0 0 4 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.842 69.2 54.4 -57.8 -31.0 39.6 27.1 25.3 40 76 A K T > S+ 0 0 66 -4,-0.2 3,-1.4 -7,-0.2 -1,-0.2 0.709 83.7 102.2 -78.9 -22.0 41.6 25.2 22.7 41 77 A K T < S+ 0 0 101 -3,-1.0 3,-0.1 1,-0.3 0, 0.0 -0.431 90.7 13.1 -68.9 133.0 44.2 28.0 22.1 42 78 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.743 112.9 99.8 72.6 23.8 47.5 27.4 23.9 43 79 A K S < S- 0 0 37 -3,-1.4 -1,-0.3 -15,-0.0 -15,-0.3 -0.964 76.8-110.2-134.9 154.6 46.6 23.7 24.5 44 80 A K E -c 28 0A 108 -17,-3.3 -15,-2.9 -2,-0.3 2,-0.5 -0.613 34.3-140.7 -74.1 142.3 47.2 20.3 23.1 45 81 A Q E -c 29 0A 98 -2,-0.3 2,-0.4 -17,-0.2 -15,-0.2 -0.931 16.9-167.7-110.4 130.9 44.2 18.7 21.4 46 82 A F E -c 30 0A 7 -17,-2.4 -15,-2.2 -2,-0.5 2,-0.9 -0.931 22.6-134.5-119.9 139.1 43.4 15.1 21.7 47 83 A D > - 0 0 66 -2,-0.4 3,-1.0 3,-0.3 -17,-0.1 -0.831 17.0-159.5 -86.9 107.2 40.9 12.9 19.9 48 84 A A T 3 S+ 0 0 14 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.703 91.3 49.1 -62.7 -20.7 39.2 11.0 22.7 49 85 A X T 3 S+ 0 0 129 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.677 124.7 28.2 -90.6 -19.4 38.1 8.3 20.2 50 86 A N S < S- 0 0 122 -3,-1.0 -3,-0.3 2,-0.0 -1,-0.2 -0.445 86.5-169.3-138.3 59.6 41.5 8.0 18.6 51 87 A L - 0 0 18 -3,-0.4 2,-1.0 -5,-0.1 3,-0.1 -0.312 19.1-138.8 -67.6 128.2 44.0 8.9 21.4 52 88 A N > - 0 0 85 1,-0.2 4,-1.7 -2,-0.1 3,-0.2 -0.754 16.1-166.7 -83.0 100.2 47.6 9.3 20.4 53 89 A K H > S+ 0 0 50 -2,-1.0 4,-2.2 1,-0.2 5,-0.2 0.865 84.8 49.9 -57.1 -43.0 49.4 7.6 23.3 54 90 A E H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 110.3 50.8 -66.0 -34.8 52.9 9.0 22.5 55 91 A E H > S+ 0 0 79 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.812 108.6 52.7 -73.2 -29.8 51.5 12.5 22.3 56 92 A L H < S+ 0 0 0 -4,-1.7 4,-0.3 2,-0.2 3,-0.2 0.919 111.6 44.8 -68.9 -46.1 49.8 12.1 25.6 57 93 A I H >< S+ 0 0 60 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.896 109.8 56.7 -61.6 -41.2 53.1 11.0 27.2 58 94 A K H 3< S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 98.7 59.9 -64.2 -29.5 54.9 13.9 25.5 59 95 A A T 3< S- 0 0 7 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.601 99.1-143.8 -76.0 -10.8 52.5 16.4 27.1 60 96 A K < - 0 0 106 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.870 26.4-173.9 48.8 54.4 53.8 15.1 30.5 61 97 A P - 0 0 10 0, 0.0 -55,-0.2 0, 0.0 -1,-0.1 -0.395 28.4-163.2 -76.4 151.2 50.4 15.4 32.3 62 98 A D S S+ 0 0 48 -57,-1.9 25,-1.0 1,-0.3 2,-0.3 0.474 84.0 31.2-104.1 -10.7 50.1 14.8 36.1 63 99 A L E -bd 6 87A 0 -58,-1.4 -56,-3.1 23,-0.1 2,-0.6 -0.964 58.4-169.7-145.8 129.3 46.3 14.4 35.8 64 100 A I E -bd 7 88A 0 23,-2.7 25,-2.5 -2,-0.3 2,-1.0 -0.953 14.6-161.6-115.3 112.8 44.1 13.1 32.9 65 101 A L E +bd 8 89A 0 -58,-3.0 -56,-2.2 -2,-0.6 -55,-0.4 -0.789 23.5 161.1-101.4 100.9 40.6 13.8 33.7 66 102 A A E - d 0 90A 0 23,-3.4 25,-3.1 -2,-1.0 2,-0.3 -0.328 33.0-106.7-109.0-168.9 38.3 11.6 31.6 67 103 A H E > - d 0 91A 7 23,-0.3 3,-2.3 -2,-0.1 4,-0.3 -0.909 19.7-121.0-127.4 147.7 34.7 10.5 31.8 68 104 A E G > S+ 0 0 89 23,-3.2 3,-1.7 -2,-0.3 4,-0.3 0.855 112.1 65.4 -53.0 -35.6 33.0 7.2 32.6 69 105 A S G 3 S+ 0 0 67 22,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.640 100.4 53.0 -63.5 -11.2 31.4 7.2 29.1 70 106 A Q G X>>S+ 0 0 17 -3,-2.3 5,-1.6 1,-0.1 4,-1.3 0.385 73.9 100.2-106.7 -1.7 35.0 6.8 27.7 71 107 A K T <45S+ 0 0 106 -3,-1.7 4,-0.2 -4,-0.3 5,-0.1 0.883 85.7 48.1 -52.0 -40.5 36.2 3.8 29.7 72 108 A N T 345S+ 0 0 148 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.586 126.6 22.7 -82.9 -11.3 35.6 1.4 26.7 73 109 A S T X45S+ 0 0 33 -3,-1.1 3,-0.6 -4,-0.0 4,-0.4 0.707 133.6 31.5-115.6 -60.1 37.2 3.5 24.0 74 110 A A T >X5S+ 0 0 1 -4,-1.3 4,-2.7 1,-0.2 3,-1.4 0.810 107.6 74.4 -66.1 -30.0 39.8 5.9 25.7 75 111 A G H 3> S+ 0 0 31 -3,-1.4 3,-1.3 -4,-0.4 4,-0.9 0.849 113.8 59.0 -93.2 -41.6 45.0 3.9 25.7 78 114 A L H 3X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.3 5,-0.2 0.775 90.3 72.7 -62.7 -27.4 44.8 5.5 29.1 79 115 A K H 3X S+ 0 0 81 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.3 0.857 96.2 53.0 -54.6 -36.2 45.7 2.2 30.8 80 116 A S H <> S+ 0 0 52 -3,-1.3 4,-1.2 -4,-0.2 -1,-0.2 0.927 107.5 49.2 -62.8 -47.3 49.2 2.8 29.5 81 117 A L H ><>S+ 0 0 2 -4,-0.9 5,-2.0 1,-0.2 3,-0.8 0.936 109.4 52.4 -60.0 -47.5 49.5 6.3 31.0 82 118 A K H ><5S+ 0 0 145 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.879 104.5 56.5 -52.9 -42.3 48.3 5.0 34.3 83 119 A D H 3<5S+ 0 0 149 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 103.3 54.7 -63.4 -28.8 51.0 2.3 34.2 84 120 A K T <<5S- 0 0 108 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.420 128.5-101.3 -83.6 0.4 53.6 5.1 33.8 85 121 A G T < 5S+ 0 0 64 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.594 72.4 145.6 92.1 12.1 52.1 6.7 37.0 86 122 A V < - 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0 0 20 -31,-2.4 -31,-0.5 -2,-0.2 2,-0.1 -0.977 20.0-117.5-133.3 146.8 9.3 1.4 21.8 186 222 A S > - 0 0 65 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.382 23.0-117.8 -80.3 162.4 6.9 0.5 19.0 187 223 A K H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 117.8 55.2 -63.6 -39.2 4.9 3.1 17.1 188 224 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 106.4 52.0 -59.3 -42.6 1.7 1.4 18.3 189 225 A S H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 109.7 46.9 -62.1 -45.4 3.0 1.9 21.9 190 226 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.921 111.2 52.2 -62.5 -45.4 3.7 5.6 21.5 191 227 A I H < S+ 0 0 45 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.913 109.6 49.6 -59.0 -42.6 0.3 6.2 19.8 192 228 A K H < S+ 0 0 188 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 107.1 53.6 -65.3 -38.5 -1.5 4.5 22.7 193 229 A R H < S- 0 0 79 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.736 93.9-157.2 -67.7 -23.2 0.4 6.6 25.3 194 230 A N < - 0 0 61 -4,-1.3 -51,-0.2 -3,-0.4 -3,-0.1 0.894 8.7-155.2 47.3 62.2 -0.8 9.6 23.4 195 231 A P - 0 0 0 0, 0.0 29,-2.4 0, 0.0 30,-0.2 -0.218 16.1-142.9 -64.7 154.6 1.8 12.2 24.5 196 232 A D S S+ 0 0 32 -53,-2.5 2,-0.3 1,-0.2 -52,-0.2 0.637 87.1 29.4 -89.8 -18.8 0.9 15.9 24.5 197 233 A I E -f 144 0B 0 -54,-1.5 -52,-2.7 31,-0.1 2,-0.5 -0.999 65.6-155.7-143.6 135.5 4.4 16.9 23.3 198 234 A L E -fi 145 230B 0 31,-2.7 33,-2.8 -2,-0.3 2,-0.4 -0.955 13.7-177.2-109.4 131.1 7.1 15.1 21.2 199 235 A I E -fi 146 231B 0 -54,-2.7 -52,-3.0 -2,-0.5 2,-0.4 -0.951 11.0-157.9-130.0 115.8 10.7 16.1 21.7 200 236 A S E -fi 147 232B 0 31,-2.3 33,-3.0 -2,-0.4 3,-0.3 -0.752 2.6-166.6 -86.9 135.2 13.5 14.5 19.6 201 237 A T + 0 0 10 -54,-2.8 34,-1.9 -2,-0.4 35,-0.3 0.132 62.8 98.1-107.3 21.3 16.9 14.8 21.2 202 238 A E B S-K 234 0D 67 -55,-0.3 32,-0.2 32,-0.2 -1,-0.2 0.461 94.1-114.6 -92.5 -1.2 18.9 13.8 18.1 203 239 A G + 0 0 41 30,-1.9 31,-0.2 -3,-0.3 2,-0.2 0.771 63.1 150.0 76.6 26.2 19.8 17.4 17.1 204 240 A K - 0 0 88 29,-0.3 -1,-0.2 1,-0.1 -4,-0.1 -0.501 56.2 -92.5 -82.9 159.9 17.8 17.3 13.9 205 241 A S > - 0 0 55 -2,-0.2 4,-1.8 1,-0.1 3,-0.2 -0.373 35.7-116.9 -66.5 153.2 16.3 20.5 12.5 206 242 A K H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 114.9 53.7 -60.5 -44.0 12.7 21.0 13.6 207 243 A S H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 107.1 52.8 -60.9 -33.7 11.3 20.7 10.0 208 244 A D H > S+ 0 0 91 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 110.3 45.2 -69.7 -42.5 13.1 17.4 9.6 209 245 A Y H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.889 111.4 54.9 -68.5 -37.2 11.6 15.8 12.7 210 246 A I H X S+ 0 0 36 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.900 108.2 48.8 -60.4 -41.0 8.2 17.2 11.7 211 247 A E H X S+ 0 0 90 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.893 109.6 51.3 -69.6 -38.1 8.6 15.5 8.3 212 248 A X H >X S+ 0 0 56 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.929 109.1 51.3 -59.5 -47.0 9.5 12.2 9.9 213 249 A I H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.3 6,-0.2 0.896 106.2 54.8 -57.8 -41.7 6.5 12.4 12.2 214 250 A K H 3< S+ 0 0 133 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.787 106.2 52.1 -64.1 -27.3 4.2 13.0 9.2 215 251 A K H << S+ 0 0 176 -4,-1.2 2,-0.6 -3,-0.6 -1,-0.3 0.584 87.7 99.4 -87.8 -7.8 5.5 9.8 7.5 216 252 A R S X< S- 0 0 20 -3,-1.1 3,-1.2 -4,-0.7 4,-0.4 -0.691 79.1-122.7 -80.1 121.4 4.8 7.7 10.6 217 253 A G T 3 S+ 0 0 57 -2,-0.6 -2,-0.1 1,-0.2 -1,-0.1 -0.339 89.9 9.8 -62.6 137.3 1.5 5.8 10.2 218 254 A G T > S+ 0 0 39 1,-0.1 3,-1.4 -2,-0.0 4,-0.5 0.204 92.4 108.1 83.4 -16.9 -1.1 6.5 12.9 219 255 A F G X + 0 0 0 -3,-1.2 3,-0.5 1,-0.3 6,-0.3 0.765 59.6 82.7 -67.9 -22.1 0.8 9.4 14.5 220 256 A D G 3 S+ 0 0 120 -4,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.786 88.6 54.1 -44.2 -36.7 -1.9 11.7 13.0 221 257 A K G < S+ 0 0 167 -3,-1.4 -1,-0.2 4,-0.1 -2,-0.2 0.913 81.6 110.5 -69.0 -46.3 -4.1 10.9 16.0 222 258 A I S <> S- 0 0 1 -3,-0.5 4,-2.3 -4,-0.5 3,-0.5 0.117 73.0-125.3 -43.7 135.8 -1.7 11.8 18.8 223 259 A N H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -27,-0.2 0.926 110.7 52.4 -41.1 -58.2 -2.4 14.9 21.0 224 260 A A H 4>S+ 0 0 0 -29,-2.4 5,-2.9 1,-0.2 -1,-0.2 0.834 109.8 46.1 -52.3 -43.7 1.1 16.3 20.2 225 261 A V H >45S+ 0 0 27 -3,-0.5 3,-0.9 -6,-0.3 -1,-0.2 0.913 112.9 49.6 -70.8 -40.8 0.7 16.1 16.5 226 262 A K H 3<5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.832 117.4 40.8 -64.5 -35.3 -2.8 17.6 16.4 227 263 A N T 3<5S- 0 0 105 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.321 110.9-121.3 -96.7 5.9 -1.6 20.5 18.6 228 264 A T T < 5 + 0 0 101 -3,-0.9 2,-0.5 -4,-0.2 -3,-0.2 0.931 59.7 148.9 53.9 50.9 1.7 20.9 16.7 229 265 A R < + 0 0 41 -5,-2.9 -31,-2.7 -6,-0.1 2,-0.5 -0.598 20.5 135.8-110.3 65.5 3.8 20.4 19.8 230 266 A I E +i 198 0B 9 -2,-0.5 2,-0.3 -33,-0.2 -31,-0.2 -0.971 26.6 165.2-116.7 113.7 6.7 18.8 17.9 231 267 A E E -i 199 0B 10 -33,-2.8 -31,-2.3 -2,-0.5 2,-0.4 -0.855 24.1-147.0-130.5 162.5 10.1 20.0 19.0 232 268 A T E +i 200 0B 29 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.971 14.2 177.3-129.5 149.4 13.8 19.1 18.6 233 269 A V - 0 0 12 -33,-3.0 -30,-1.9 -2,-0.4 2,-1.0 -0.951 38.7-112.6-141.8 156.4 16.7 19.6 20.9 234 270 A D B >> -K 202 0D 77 -2,-0.3 4,-2.6 -32,-0.2 3,-0.7 -0.838 33.1-163.1 -90.2 100.6 20.4 18.6 20.8 235 271 A G H 3> S+ 0 0 1 -34,-1.9 4,-2.1 -2,-1.0 -1,-0.2 0.824 84.3 52.9 -59.1 -39.7 20.4 16.1 23.6 236 272 A D H 34 S+ 0 0 128 -35,-0.3 -1,-0.3 2,-0.2 -34,-0.1 0.844 113.4 45.1 -65.6 -35.7 24.1 16.0 24.1 237 273 A E H X4 S+ 0 0 82 -3,-0.7 3,-1.8 2,-0.2 -2,-0.2 0.976 115.6 43.1 -70.3 -55.8 24.2 19.8 24.4 238 274 A V H 3< S+ 0 0 6 -4,-2.6 -2,-0.2 1,-0.3 10,-0.2 0.826 118.8 44.7 -64.4 -29.2 21.2 20.2 26.8 239 275 A S T 3< S+ 0 0 21 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.224 76.5 138.3 -98.9 15.8 22.2 17.3 29.0 240 276 A R < - 0 0 29 -3,-1.8 2,-2.8 1,-0.1 8,-0.1 -0.456 57.4-132.6 -62.6 119.6 25.8 18.2 29.2 241 277 A P + 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -147,-0.1 -0.250 67.7 105.5 -76.8 59.1 26.7 17.6 32.8 242 278 A G S > S- 0 0 1 -2,-2.8 3,-1.3 -227,-0.1 -230,-0.1 -0.509 90.2 -74.7-122.7-168.3 28.5 20.9 33.3 243 279 A P T 3 S+ 0 0 4 0, 0.0 3,-0.4 0, 0.0 -231,-0.0 0.611 121.3 62.2 -67.0 -12.8 28.0 24.3 35.0 244 280 A R T >> + 0 0 57 1,-0.2 3,-1.3 -4,-0.1 4,-1.1 0.111 61.7 118.0-102.9 24.1 25.6 25.4 32.2 245 281 A I H <> + 0 0 6 -3,-1.3 4,-2.8 1,-0.3 5,-0.2 0.737 66.9 67.9 -57.6 -25.9 22.9 22.8 32.8 246 282 A D H 3> S+ 0 0 26 -3,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.878 97.5 52.4 -63.7 -34.7 20.5 25.6 33.7 247 283 A E H <> S+ 0 0 90 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.929 110.3 47.4 -66.7 -43.0 20.6 26.7 30.0 248 284 A G H X S+ 0 0 7 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.931 112.1 49.6 -61.2 -45.9 19.8 23.1 28.9 249 285 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.867 109.0 53.9 -60.4 -36.7 16.9 22.9 31.4 250 286 A K H X S+ 0 0 104 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.866 104.9 53.3 -66.3 -37.9 15.7 26.3 30.2 251 287 A D H X S+ 0 0 80 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.948 110.5 46.7 -60.4 -49.4 15.6 25.0 26.6 252 288 A L H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.7 0.867 110.1 55.0 -60.1 -39.2 13.5 22.1 27.6 253 289 A R H 3X S+ 0 0 37 -4,-2.1 4,-3.1 1,-0.2 3,-0.5 0.918 105.1 51.2 -60.4 -45.2 11.2 24.4 29.6 254 290 A D H 3< S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.610 109.2 52.0 -73.8 -11.4 10.5 26.6 26.7 255 291 A D H << S+ 0 0 21 -4,-0.7 -1,-0.2 -3,-0.7 3,-0.2 0.701 116.3 39.2 -89.5 -24.2 9.5 23.6 24.6 256 292 A I H < S+ 0 0 1 -4,-1.2 2,-0.6 -3,-0.5 -2,-0.2 0.817 122.0 41.3 -92.7 -37.2 7.1 22.4 27.2 257 293 A Y < 0 0 17 -4,-3.1 -1,-0.3 -5,-0.2 -118,-0.0 -0.845 360.0 360.0-118.9 92.4 5.7 25.7 28.2 258 294 A K 0 0 161 -2,-0.6 -3,-0.1 -3,-0.2 -2,-0.0 0.029 360.0 360.0 -80.5 360.0 5.1 27.9 25.1