==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 19-SEP-12 4H6I . COMPND 2 MOLECULE: FIBRINOGEN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR B.L.GARCIA,B.V.GEISBRECHT . 231 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A E 0 0 225 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.2 3.8 51.8 10.3 2 10 A S + 0 0 93 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.622 360.0 177.3 -87.0 143.8 3.7 49.9 13.6 3 11 A Q - 0 0 160 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.998 10.6-166.3-148.4 143.2 1.0 47.2 14.2 4 12 A F - 0 0 172 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.987 9.0-164.2-136.5 125.9 0.1 44.8 16.9 5 13 A H - 0 0 171 -2,-0.4 2,-0.2 1,-0.0 49,-0.1 -0.808 29.1-146.1 -94.5 151.8 -2.1 41.7 17.2 6 14 A D - 0 0 122 -2,-0.3 2,-1.4 48,-0.1 -1,-0.0 -0.522 22.4 -83.2-121.7 177.2 -2.9 40.7 20.8 7 15 A K + 0 0 124 -2,-0.2 2,-0.8 2,-0.1 -2,-0.0 -0.456 57.9 142.7 -95.0 67.6 -3.5 37.6 22.9 8 16 A R - 0 0 178 -2,-1.4 2,-0.7 2,-0.0 -2,-0.0 -0.921 37.1-161.4 -92.5 105.7 -7.1 36.7 22.5 9 17 A I + 0 0 43 -2,-0.8 -2,-0.1 1,-0.1 45,-0.0 -0.831 36.5 143.6-102.3 108.9 -6.8 32.9 22.6 10 18 A A + 0 0 69 -2,-0.7 2,-0.5 2,-0.0 -1,-0.1 -0.010 38.1 122.0-128.0 24.0 -9.7 30.8 21.2 11 19 A E - 0 0 40 2,-0.0 2,-0.9 3,-0.0 3,-0.2 -0.775 49.4-155.4 -95.7 132.6 -7.6 28.1 19.6 12 20 A E > + 0 0 111 -2,-0.5 4,-0.6 1,-0.2 -2,-0.0 -0.864 34.1 151.3-100.4 90.1 -7.9 24.5 20.4 13 21 A L H > S+ 0 0 2 -2,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.375 74.6 76.3 -84.4 -8.4 -4.5 23.1 19.5 14 22 A R H > S+ 0 0 139 2,-0.2 4,-1.0 -3,-0.2 -1,-0.1 0.944 90.9 50.8 -54.5 -47.4 -5.8 20.9 22.3 15 23 A T H > S+ 0 0 41 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.901 114.1 42.1 -65.8 -42.3 -8.0 19.4 19.6 16 24 A L H >< S+ 0 0 25 -4,-0.6 3,-1.1 1,-0.2 4,-0.5 0.903 115.3 47.9 -66.4 -46.7 -5.1 18.9 17.2 17 25 A L H 3< S+ 0 0 39 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.532 99.9 71.1 -75.7 -3.9 -2.6 17.6 19.9 18 26 A N H 3< S+ 0 0 105 -4,-1.0 -1,-0.3 -3,-0.3 3,-0.2 0.813 109.8 31.0 -79.3 -30.8 -5.4 15.3 21.1 19 27 A K S XX S+ 0 0 94 -3,-1.1 4,-2.6 -4,-0.6 3,-1.1 0.404 89.7 104.2-108.4 1.2 -4.9 13.3 17.9 20 28 A S T 34 S+ 0 0 0 -4,-0.5 4,-0.5 1,-0.3 -1,-0.2 0.636 85.0 47.2 -57.3 -12.8 -1.2 14.0 17.7 21 29 A N T 3> S+ 0 0 103 -3,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.691 108.1 51.0-104.7 -24.6 -0.7 10.5 19.0 22 30 A V H <> S+ 0 0 97 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.833 112.6 48.4 -79.9 -36.0 -3.1 8.6 16.7 23 31 A Y H X S+ 0 0 42 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.863 108.4 54.5 -72.9 -35.0 -1.5 10.4 13.7 24 32 A A H 4 S+ 0 0 8 -4,-0.5 4,-0.3 -5,-0.3 -2,-0.2 0.911 108.3 50.0 -59.9 -44.3 1.9 9.4 15.2 25 33 A L H >< S+ 0 0 95 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.922 110.2 49.1 -59.3 -48.8 0.7 5.8 15.2 26 34 A A H >< S+ 0 0 38 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.743 102.2 60.4 -68.8 -25.8 -0.5 6.0 11.6 27 35 A A G >< S+ 0 0 2 -4,-1.8 3,-2.3 1,-0.2 8,-0.3 0.550 79.8 92.5 -69.7 -8.3 2.8 7.5 10.3 28 36 A G G < S+ 0 0 9 -3,-1.2 -1,-0.2 -4,-0.3 156,-0.1 0.398 83.0 52.6 -72.3 2.3 4.5 4.3 11.6 29 37 A S G < S+ 0 0 82 -3,-0.8 -1,-0.3 2,-0.1 2,-0.2 0.078 107.6 70.7-113.8 17.4 4.0 2.8 8.1 30 38 A L S < S- 0 0 31 -3,-2.3 -3,-0.0 1,-0.2 5,-0.0 -0.588 100.8 -60.4-126.4 178.2 5.7 5.7 6.5 31 39 A N >> - 0 0 97 -2,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.420 53.1-113.7 -55.7 140.5 9.1 7.3 6.2 32 40 A P H 3> S+ 0 0 57 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.728 109.3 80.9 -47.0 -28.4 10.5 8.3 9.6 33 41 A Y H 3> S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.855 89.3 51.2 -42.2 -45.9 10.1 11.9 8.4 34 42 A Y H <> S+ 0 0 54 -3,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.957 114.1 39.4 -69.6 -49.9 6.4 11.9 9.3 35 43 A K H >X S+ 0 0 33 -4,-0.6 4,-2.8 -8,-0.3 3,-1.3 0.974 115.5 53.7 -59.4 -54.8 6.6 10.7 12.9 36 44 A R H 3X S+ 0 0 130 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.821 107.4 52.0 -48.2 -33.5 9.7 12.8 13.5 37 45 A T H 3< S+ 0 0 12 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.750 111.0 46.6 -84.4 -22.7 7.8 15.8 12.3 38 46 A I H XX S+ 0 0 0 -3,-1.3 4,-2.2 -4,-1.3 3,-1.7 0.914 109.9 53.7 -75.6 -49.1 5.0 15.1 14.7 39 47 A M H 3X S+ 0 0 80 -4,-2.8 4,-1.0 1,-0.3 -2,-0.2 0.867 113.0 44.6 -48.4 -40.6 7.5 14.5 17.6 40 48 A M H 3< S+ 0 0 88 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.3 0.293 112.8 48.7 -97.1 14.0 9.0 17.9 16.9 41 49 A N H <> S+ 0 0 13 -3,-1.7 4,-2.3 2,-0.1 -2,-0.2 0.570 103.0 60.9-117.2 -27.3 5.8 19.9 16.5 42 50 A E H X S+ 0 0 21 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.925 103.9 53.0 -59.9 -48.0 4.3 18.5 19.7 43 51 A Y H X S+ 0 0 156 -4,-1.0 4,-2.5 -5,-0.2 5,-0.3 0.948 110.5 43.9 -50.9 -63.9 7.2 20.1 21.5 44 52 A R H > S+ 0 0 148 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.918 113.4 52.1 -44.9 -53.5 6.7 23.6 20.1 45 53 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.918 111.2 47.0 -56.5 -46.2 2.9 23.4 20.6 46 54 A K H X S+ 0 0 116 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.934 114.2 44.7 -63.2 -48.7 3.3 22.4 24.3 47 55 A A H X S+ 0 0 44 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.962 112.4 54.6 -59.2 -47.2 5.9 25.1 25.2 48 56 A A H <>S+ 0 0 5 -4,-2.8 5,-1.0 1,-0.3 4,-0.3 0.806 108.1 48.0 -57.0 -38.8 3.8 27.6 23.3 49 57 A L H <5S+ 0 0 83 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.846 110.9 53.1 -67.0 -37.3 0.7 26.8 25.3 50 58 A K H <5S+ 0 0 186 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.889 116.2 35.7 -67.3 -42.3 2.7 27.1 28.5 51 59 A K T <5S- 0 0 181 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.432 102.8-134.3 -88.1 0.7 4.1 30.5 27.8 52 60 A N T 5 + 0 0 68 -4,-0.3 2,-0.3 -5,-0.3 -3,-0.2 0.728 43.2 165.9 49.1 32.1 0.8 31.5 26.1 53 61 A D >< - 0 0 60 -5,-1.0 4,-1.1 -6,-0.2 -1,-0.2 -0.586 30.0-150.7 -75.2 133.0 2.7 33.1 23.2 54 62 A F H > S+ 0 0 70 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.955 88.9 49.3 -68.3 -51.3 0.3 33.8 20.3 55 63 A V H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.828 110.3 49.5 -65.1 -35.2 2.7 33.5 17.3 56 64 A S H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.869 111.4 51.4 -70.7 -34.4 4.2 30.1 18.4 57 65 A M H X S+ 0 0 0 -4,-1.1 4,-2.0 -9,-0.2 -2,-0.2 0.922 110.8 47.0 -66.8 -44.7 0.7 28.8 18.9 58 66 A A H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.893 112.7 50.5 -65.5 -42.0 -0.4 29.9 15.4 59 67 A D H >X S+ 0 0 98 -4,-2.2 4,-1.8 -5,-0.2 3,-1.1 0.969 110.8 46.1 -56.1 -77.2 2.7 28.4 13.9 60 68 A A H 3X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.742 111.3 55.3 -38.5 -35.0 2.4 25.1 15.5 61 69 A K H 3X S+ 0 0 83 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.969 109.5 44.2 -65.8 -51.8 -1.3 25.0 14.5 62 70 A V H + 0 0 111 -2,-0.5 4,-0.6 1,-0.2 -2,-0.0 -0.864 34.1 151.3-100.4 90.1 25.1 5.5 32.6 91 21 B L H > S+ 0 0 1 -2,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.374 74.6 76.3 -84.3 -8.5 22.3 7.7 33.6 92 22 B R H > S+ 0 0 138 2,-0.2 4,-1.0 -3,-0.2 -1,-0.1 0.944 90.9 50.8 -54.6 -47.3 21.0 5.6 30.7 93 23 B T H > S+ 0 0 40 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.901 114.1 42.1 -65.8 -42.2 20.8 2.9 33.4 94 24 B L H >< S+ 0 0 28 -4,-0.6 3,-1.1 1,-0.2 4,-0.5 0.903 115.3 47.9 -66.4 -46.7 18.9 5.2 35.8 95 25 B L H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.531 99.9 71.1 -75.7 -3.9 16.5 6.6 33.1 96 26 B N H 3< S+ 0 0 106 -4,-1.0 -1,-0.3 -3,-0.3 3,-0.2 0.813 109.8 31.0 -79.3 -30.8 16.0 3.1 31.9 97 27 B K S XX S+ 0 0 95 -3,-1.1 4,-2.6 -4,-0.6 3,-1.1 0.404 89.7 104.2-108.4 1.2 14.0 2.5 35.1 98 28 B S T 34 S+ 0 0 0 -4,-0.5 4,-0.5 1,-0.3 -1,-0.2 0.635 85.0 47.2 -57.2 -12.8 12.7 6.0 35.3 99 29 B N T 3> S+ 0 0 104 -3,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.691 108.1 51.0-104.8 -24.7 9.4 4.8 34.1 100 30 B V H <> S+ 0 0 96 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.833 112.6 48.4 -79.9 -35.9 9.0 1.8 36.3 101 31 B Y H X S+ 0 0 42 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.863 108.4 54.5 -73.0 -34.9 9.7 4.0 39.3 102 32 B A H 4 S+ 0 0 12 -4,-0.5 4,-0.3 -5,-0.3 -2,-0.2 0.911 108.3 50.0 -59.9 -44.4 7.2 6.5 37.9 103 33 B L H >< S+ 0 0 137 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.922 110.2 49.1 -59.2 -48.8 4.7 3.6 37.8 104 34 B A H >< S+ 0 0 40 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.743 102.2 60.4 -68.8 -25.8 5.4 2.6 41.4 105 35 B A G >< S+ 0 0 2 -4,-1.8 3,-2.3 1,-0.2 8,-0.3 0.548 79.8 92.5 -69.5 -8.4 5.1 6.2 42.8 106 36 B G G < S+ 0 0 61 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.398 83.0 52.6 -72.3 2.4 1.5 6.1 41.5 107 37 B S G < S+ 0 0 107 -3,-0.8 -1,-0.3 2,-0.1 2,-0.2 0.078 107.6 70.6-113.9 17.4 0.4 4.9 44.9 108 38 B L S < S- 0 0 44 -3,-2.3 -3,-0.0 1,-0.2 5,-0.0 -0.587 100.8 -60.4-126.4 178.1 2.1 7.8 46.5 109 39 B N >> - 0 0 96 -2,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.421 53.1-113.7 -55.7 140.5 1.8 11.6 46.9 110 40 B P H 3> S+ 0 0 91 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.728 109.3 80.9 -46.9 -28.5 1.9 13.3 43.4 111 41 B Y H 3> S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.856 89.3 51.2 -42.2 -45.9 5.3 14.8 44.7 112 42 B Y H <> S+ 0 0 53 -3,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.957 114.1 39.4 -69.6 -50.0 7.2 11.6 43.8 113 43 B K H >X S+ 0 0 108 -4,-0.6 4,-2.8 -8,-0.3 3,-1.3 0.974 115.5 53.7 -59.4 -54.9 6.0 11.1 40.2 114 44 B R H 3X S+ 0 0 128 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.822 107.4 52.0 -48.3 -33.3 6.2 14.9 39.6 115 45 B T H 3< S+ 0 0 11 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.750 111.0 46.6 -84.5 -22.7 9.8 14.8 40.8 116 46 B I H XX S+ 0 0 0 -3,-1.3 4,-2.2 -4,-1.3 3,-1.7 0.914 109.9 53.7 -75.7 -49.1 10.6 12.0 38.4 117 47 B M H 3X S+ 0 0 88 -4,-2.8 4,-1.0 1,-0.3 -2,-0.2 0.867 113.0 44.5 -48.4 -40.6 8.8 13.8 35.5 118 48 B M H 3< S+ 0 0 88 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.3 0.293 112.8 48.8 -97.1 13.9 11.0 16.9 36.2 119 49 B N H <> S+ 0 0 14 -3,-1.7 4,-2.3 2,-0.1 -2,-0.2 0.569 103.0 60.9-117.2 -27.3 14.3 15.0 36.6 120 50 B E H X S+ 0 0 21 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.925 103.9 53.0 -59.9 -48.0 13.9 13.0 33.4 121 51 B Y H X S+ 0 0 155 -4,-1.0 4,-2.5 -5,-0.2 5,-0.3 0.948 110.5 43.9 -51.0 -63.9 13.8 16.4 31.6 122 52 B R H > S+ 0 0 150 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.918 113.4 52.1 -45.0 -53.4 17.1 17.7 33.0 123 53 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.919 111.2 47.0 -56.5 -46.2 18.8 14.3 32.5 124 54 B K H X S+ 0 0 117 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.934 114.2 44.7 -63.3 -48.7 17.7 14.2 28.8 125 55 B A H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.962 112.4 54.6 -59.2 -47.2 18.7 17.8 27.9 126 56 B A H <>S+ 0 0 5 -4,-2.8 5,-1.0 1,-0.3 4,-0.3 0.807 108.1 48.0 -57.1 -38.7 22.0 17.2 29.8 127 57 B L H <5S+ 0 0 82 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.846 110.9 53.1 -67.1 -37.2 22.8 14.1 27.7 128 58 B K H <5S+ 0 0 188 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.889 116.2 35.7 -67.3 -42.3 22.0 16.0 24.6 129 59 B K T <5S- 0 0 179 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.433 102.8-134.3 -88.2 0.8 24.3 19.0 25.3 130 60 B N T 5 + 0 0 69 -4,-0.3 2,-0.3 -5,-0.3 -3,-0.2 0.729 43.2 165.9 49.1 32.0 26.9 16.6 26.9 131 61 B D >< - 0 0 60 -5,-1.0 4,-1.1 -6,-0.2 -1,-0.2 -0.586 30.0-150.7 -75.2 133.0 27.3 19.0 29.9 132 62 B F H > S+ 0 0 71 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.955 88.9 49.3 -68.3 -51.3 29.1 17.3 32.8 133 63 B V H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.828 110.3 49.5 -65.1 -35.1 27.6 19.2 35.7 134 64 B S H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 111.4 51.4 -70.7 -34.4 24.0 18.8 34.6 135 65 B M H X S+ 0 0 0 -4,-1.1 4,-2.0 -9,-0.2 -2,-0.2 0.922 111.6 45.5 -66.7 -44.7 24.5 15.1 34.2 136 66 B A H X S+ 0 0 29 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.893 112.7 52.2 -65.1 -41.4 26.0 14.7 37.7 137 67 B D H X S+ 0 0 108 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.948 112.0 44.4 -59.5 -51.9 23.2 16.8 39.2 138 68 B A H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.858 111.3 55.4 -60.7 -35.4 20.5 14.7 37.6 139 69 B K H X S+ 0 0 83 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.969 109.7 44.2 -65.9 -51.7 22.3 11.5 38.5 140 70 B V H X S+ 0 0 84 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.929 112.7 54.4 -54.6 -47.4 22.4 12.3 42.2 141 71 B A H X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 110.7 44.4 -53.1 -49.1 18.8 13.5 42.0 142 72 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.870 111.2 50.6 -69.5 -42.6 17.6 10.2 40.5 143 73 B E H X S+ 0 0 95 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.924 112.4 50.7 -61.3 -39.4 19.5 7.8 42.9 144 74 B K H X S+ 0 0 112 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.948 112.6 42.9 -61.2 -54.0 18.1 9.8 45.8 145 75 B I H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.816 113.3 52.8 -65.0 -32.2 14.5 9.7 44.7 146 76 B Y H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.878 109.6 49.8 -67.6 -35.9 14.8 6.0 43.7 147 77 B K H X S+ 0 0 140 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.937 110.7 49.2 -70.6 -43.7 16.2 5.3 47.2 148 78 B E H X S+ 0 0 54 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.959 113.1 47.1 -55.1 -54.9 13.3 7.2 48.8 149 79 B I H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.944 111.1 50.6 -51.9 -57.5 10.7 5.3 46.8 150 80 B D H X S+ 0 0 68 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.916 112.5 48.7 -41.0 -55.2 12.3 1.9 47.5 151 81 B E H X S+ 0 0 120 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.912 111.7 47.0 -54.3 -56.6 12.3 2.7 51.2 152 82 B I H < S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 116.7 45.2 -50.0 -45.3 8.7 3.8 51.3 153 83 B I H < S+ 0 0 84 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.824 112.7 47.4 -78.6 -30.4 7.6 0.7 49.4 154 84 B N H < 0 0 131 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.798 360.0 360.0 -81.4 -32.0 9.5 -1.9 51.2 155 85 B R < 0 0 249 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.920 360.0 360.0 46.5 360.0 8.6 -0.7 54.7 156 !* 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 0.0 157 9 C E 0 0 227 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.1 46.8 -22.6 16.4 158 10 C S + 0 0 94 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.621 360.0 177.3 -87.0 143.8 45.1 -21.8 13.1 159 11 C Q - 0 0 162 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.998 10.6-166.3-148.4 143.2 41.4 -22.7 12.5 160 12 C F - 0 0 175 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.987 9.1-164.2-136.5 125.9 38.9 -22.3 9.7 161 13 C H - 0 0 168 -2,-0.4 2,-0.2 1,-0.0 49,-0.1 -0.809 29.1-146.1 -94.5 151.9 35.1 -22.7 9.4 162 14 C D - 0 0 121 -2,-0.3 2,-1.4 48,-0.1 -1,-0.0 -0.522 22.4 -83.1-121.8 177.2 33.8 -22.8 5.8 163 15 C K + 0 0 121 -2,-0.2 2,-0.8 2,-0.1 -2,-0.0 -0.457 57.9 142.8 -95.1 67.7 30.9 -21.8 3.7 164 16 C R - 0 0 180 -2,-1.4 2,-0.7 2,-0.0 -2,-0.0 -0.922 37.1-161.4 -92.4 105.5 28.3 -24.5 4.0 165 17 C I + 0 0 43 -2,-0.8 -2,-0.1 1,-0.1 45,-0.0 -0.832 36.5 143.6-102.1 108.9 25.2 -22.2 4.0 166 18 C A + 0 0 70 -2,-0.7 2,-0.5 2,-0.0 -1,-0.1 -0.009 38.1 122.0-128.1 24.0 21.9 -23.7 5.3 167 19 C E - 0 0 39 2,-0.0 2,-0.9 3,-0.0 3,-0.2 -0.775 49.4-155.4 -95.6 132.6 20.6 -20.6 6.9 168 20 C E > + 0 0 112 -2,-0.5 4,-0.6 1,-0.2 -2,-0.0 -0.864 34.2 151.2-100.3 90.1 17.3 -19.0 6.1 169 21 C L H > S+ 0 0 2 -2,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.374 74.6 76.3 -84.4 -8.4 17.8 -15.4 7.1 170 22 C R H > S+ 0 0 140 2,-0.2 4,-1.0 -3,-0.2 -1,-0.1 0.944 90.9 50.8 -54.5 -47.4 15.3 -15.4 4.2 171 23 C T H > S+ 0 0 40 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.901 114.1 42.1 -65.8 -42.2 12.9 -16.6 6.9 172 24 C L H >< S+ 0 0 26 -4,-0.6 3,-1.1 1,-0.2 4,-0.5 0.903 115.3 47.9 -66.5 -46.7 13.8 -13.8 9.3 173 25 C L H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.533 99.9 71.1 -75.7 -3.8 14.0 -11.0 6.6 174 26 C N H 3< S+ 0 0 105 -4,-1.0 -1,-0.3 -3,-0.3 3,-0.2 0.813 109.8 31.0 -79.3 -30.7 10.6 -12.3 5.4 175 27 C K S XX S+ 0 0 97 -3,-1.1 4,-2.6 -4,-0.6 3,-1.1 0.404 89.7 104.2-108.5 1.2 9.1 -10.9 8.6 176 28 C S T 34 S+ 0 0 0 -4,-0.5 4,-0.5 1,-0.3 -1,-0.2 0.636 85.0 47.1 -57.3 -12.9 11.6 -8.0 8.8 177 29 C N T 3> S+ 0 0 104 -3,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.692 108.0 51.0-104.6 -24.7 8.8 -5.8 7.6 178 30 C V H <> S+ 0 0 96 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.833 112.6 48.4 -79.8 -36.0 6.0 -6.9 9.8 179 31 C Y H X S+ 0 0 40 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.863 108.4 54.5 -73.0 -34.9 8.3 -6.4 12.8 180 32 C A H 4 S+ 0 0 9 -4,-0.5 4,-0.3 -5,-0.3 -2,-0.2 0.911 108.3 50.0 -59.9 -44.3 9.1 -3.0 11.4 181 33 C L H >< S+ 0 0 99 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.922 110.2 49.1 -59.4 -48.7 5.4 -2.2 11.3 182 34 C A H >< S+ 0 0 39 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.743 102.2 60.4 -68.8 -25.8 4.9 -3.4 14.9 183 35 C A G >< S+ 0 0 2 -4,-1.8 3,-2.3 1,-0.2 8,-0.3 0.548 79.9 92.5 -69.5 -8.4 7.9 -1.3 16.3 184 36 C G G < S+ 0 0 9 -3,-1.2 -1,-0.2 -4,-0.3 -156,-0.1 0.398 83.0 52.6 -72.2 2.2 6.0 1.8 15.0 185 37 C S G < S+ 0 0 81 -3,-0.8 -1,-0.3 2,-0.1 2,-0.2 0.080 107.6 70.7-113.8 17.5 4.4 2.1 18.4 186 38 C L S < S- 0 0 31 -3,-2.3 -3,-0.0 1,-0.2 5,-0.0 -0.587 100.8 -60.4-126.5 178.2 7.8 2.0 20.0 187 39 C N >> - 0 0 96 -2,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.420 53.1-113.8 -55.7 140.5 10.8 4.2 20.4 188 40 C P H 3> S+ 0 0 60 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.728 109.3 80.9 -46.9 -28.4 12.4 4.9 17.0 189 41 C Y H 3> S+ 0 0 88 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.855 89.3 51.2 -42.3 -45.9 15.4 2.8 18.2 190 42 C Y H <> S+ 0 0 52 -3,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.957 114.1 39.3 -69.5 -50.0 13.5 -0.4 17.3 191 43 C K H >X S+ 0 0 37 -4,-0.6 4,-2.8 -8,-0.3 3,-1.3 0.974 115.5 53.7 -59.4 -54.8 12.6 0.4 13.7 192 44 C R H 3X S+ 0 0 129 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.821 107.4 52.0 -48.3 -33.4 15.9 2.1 13.1 193 45 C T H 3< S+ 0 0 12 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.750 111.0 46.6 -84.5 -22.6 17.6 -1.1 14.3 194 46 C I H XX S+ 0 0 0 -3,-1.3 4,-2.2 -4,-1.3 3,-1.7 0.914 109.9 53.7 -75.7 -49.1 15.6 -3.2 11.9 195 47 C M H 3X S+ 0 0 84 -4,-2.8 4,-1.0 1,-0.3 -2,-0.2 0.867 113.0 44.5 -48.5 -40.5 16.3 -0.7 9.0 196 48 C M H 3< S+ 0 0 84 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.3 0.293 112.8 48.8 -97.2 14.1 20.1 -1.1 9.7 197 49 C N H <> S+ 0 0 12 -3,-1.7 4,-2.3 2,-0.1 -2,-0.2 0.570 103.0 60.9-117.3 -27.4 20.1 -4.9 10.1 198 50 C E H X S+ 0 0 21 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.925 103.9 53.0 -59.9 -47.8 18.2 -5.5 6.9 199 51 C Y H X S+ 0 0 171 -4,-1.0 4,-2.5 -5,-0.2 5,-0.3 0.948 110.5 43.9 -51.0 -63.9 21.0 -3.7 5.1 200 52 C R H > S+ 0 0 142 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.917 113.4 52.1 -45.0 -53.5 23.8 -5.9 6.6 201 53 C A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.918 111.2 46.9 -56.4 -46.3 21.8 -9.1 6.0 202 54 C K H X S+ 0 0 114 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.934 114.2 44.7 -63.2 -48.6 21.1 -8.3 2.3 203 55 C A H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.962 112.4 54.6 -59.3 -47.1 24.7 -7.4 1.4 204 56 C A H <>S+ 0 0 6 -4,-2.8 5,-1.0 1,-0.3 4,-0.3 0.806 108.1 48.0 -57.1 -38.8 25.9 -10.4 3.3 205 57 C L H <5S+ 0 0 83 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.846 110.9 53.1 -67.1 -37.3 23.6 -12.7 1.3 206 58 C K H <5S+ 0 0 184 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.888 116.2 35.7 -67.2 -42.3 24.9 -11.1 -1.9 207 59 C K T <5S- 0 0 182 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.432 102.8-134.3 -88.1 0.7 28.6 -11.6 -1.2 208 60 C N T 5 + 0 0 70 -4,-0.3 2,-0.3 -5,-0.3 -3,-0.2 0.729 43.2 165.9 49.1 32.0 27.8 -15.0 0.4 209 61 C D >< - 0 0 62 -5,-1.0 4,-1.1 -6,-0.2 -1,-0.2 -0.586 30.0-150.7 -75.1 133.0 30.1 -14.2 3.4 210 62 C F H > S+ 0 0 72 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.955 88.8 49.3 -68.4 -51.1 29.5 -16.6 6.3 211 63 C V H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.828 110.3 49.5 -65.1 -35.1 30.4 -14.3 9.3 212 64 C S H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 111.4 51.4 -70.7 -34.3 28.3 -11.4 8.2 213 65 C M H X S+ 0 0 0 -4,-1.1 4,-2.0 -9,-0.2 -2,-0.2 0.922 111.6 45.5 -66.8 -44.7 25.3 -13.7 7.7 214 66 C A H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.893 112.7 52.2 -65.0 -41.4 25.7 -15.2 11.2 215 67 C D H X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.948 112.0 44.4 -59.4 -52.0 26.1 -11.8 12.7 216 68 C A H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.859 111.3 55.4 -60.7 -35.4 22.9 -10.4 11.1 217 69 C K H X S+ 0 0 79 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.969 109.7 44.2 -65.8 -51.8 21.0 -13.6 12.0 218 70 C V H X S+ 0 0 87 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.930 112.7 54.4 -54.6 -47.3 21.8 -13.3 15.7 219 71 C A H X S+ 0 0 27 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 110.7 44.4 -53.0 -49.2 21.0 -9.6 15.5 220 72 C L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.870 111.2 50.6 -69.6 -42.4 17.5 -10.2 14.0 221 73 C E H X S+ 0 0 96 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.925 112.4 50.7 -61.3 -39.4 16.5 -13.0 16.4 222 74 C K H X S+ 0 0 114 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.948 112.6 42.9 -61.2 -54.0 17.5 -10.8 19.3 223 75 C I H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.816 113.3 52.8 -65.0 -32.1 15.5 -7.7 18.2 224 76 C Y H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.878 109.6 49.8 -67.6 -36.0 12.5 -9.8 17.2 225 77 C K H X S+ 0 0 142 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.937 110.7 49.2 -70.6 -43.7 12.6 -11.4 20.7 226 78 C E H X S+ 0 0 55 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.959 113.1 47.1 -55.0 -55.1 12.8 -7.9 22.3 227 79 C I H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.944 111.1 50.6 -51.7 -57.4 9.8 -6.7 20.3 228 80 C D H X S+ 0 0 71 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.916 112.4 48.7 -41.1 -55.1 7.7 -9.8 21.0 229 81 C E H X S+ 0 0 122 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.912 111.7 47.0 -54.3 -56.6 8.4 -9.3 24.7 230 82 C I H < S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 116.7 45.2 -49.9 -45.4 7.5 -5.6 24.8 231 83 C I H < S+ 0 0 84 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.824 112.7 47.4 -78.6 -30.3 4.4 -6.2 22.9 232 84 C N H < 0 0 128 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.798 360.0 360.0 -81.4 -32.0 3.0 -9.2 24.7 233 85 C R < 0 0 252 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.920 360.0 360.0 46.7 360.0 3.5 -7.8 28.2