==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 14-DEC-09 3L1N . COMPND 2 MOLECULE: CELL WALL ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM MARNEFFEI; . AUTHOR S.LIAO,E.T.TUNG,W.ZHENG,K.CHONG,Y.XU,M.BARTLAM,Z.RAO,K.Y.YUE . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 79.4 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 1 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 6 A E 0 0 228 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.7 15.3 24.4 62.9 2 7 A A - 0 0 82 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.171 360.0 -73.0 -64.6 155.7 12.4 23.2 60.7 3 8 A T - 0 0 103 1,-0.1 2,-0.2 3,-0.0 -1,-0.2 -0.181 55.4-155.2 -46.3 132.9 12.0 24.4 57.1 4 9 A K - 0 0 162 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.629 34.1 -65.5-109.1 170.0 10.9 28.0 56.9 5 10 A V S S- 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.313 72.7 -88.5 -54.2 135.2 9.0 29.9 54.3 6 11 A Q - 0 0 168 1,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.161 41.7-111.8 -51.4 132.7 11.1 30.2 51.1 7 12 A R - 0 0 48 -3,-0.1 2,-1.1 1,-0.1 -1,-0.1 -0.479 27.2-120.6 -63.4 134.1 13.5 33.1 50.9 8 13 A D + 0 0 113 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.709 40.8 167.5 -77.2 101.0 12.5 35.6 48.2 9 14 A I >> + 0 0 11 -2,-1.1 4,-1.5 1,-0.2 3,-0.9 0.124 35.7 119.1-102.0 19.5 15.6 35.5 46.0 10 15 A S H 3> + 0 0 36 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.794 65.2 64.2 -57.4 -33.1 13.9 37.4 43.1 11 16 A A H 3> S+ 0 0 21 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.904 104.4 47.0 -59.2 -40.1 16.4 40.3 43.3 12 17 A F H <> S+ 0 0 34 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.916 112.8 48.6 -65.8 -44.5 19.2 37.9 42.3 13 18 A K H X S+ 0 0 111 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.888 109.7 53.1 -63.2 -38.8 17.1 36.4 39.4 14 19 A K H X S+ 0 0 135 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.901 108.8 48.4 -65.1 -42.8 16.2 39.9 38.2 15 20 A V H X S+ 0 0 19 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.947 112.3 49.5 -61.0 -47.2 19.9 41.0 38.0 16 21 A X H X S+ 0 0 117 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.916 113.2 46.3 -57.6 -44.8 20.8 37.8 36.1 17 22 A Q H X S+ 0 0 99 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.887 111.5 51.3 -66.9 -40.3 17.9 38.3 33.7 18 23 A N H X S+ 0 0 71 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.938 114.2 43.0 -63.4 -46.4 18.8 42.0 33.1 19 24 A I H X S+ 0 0 51 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.930 112.8 54.0 -64.7 -43.5 22.4 41.2 32.4 20 25 A S H X S+ 0 0 63 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.912 109.1 47.8 -57.1 -45.8 21.4 38.2 30.2 21 26 A L H X S+ 0 0 101 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.894 111.9 49.7 -63.2 -40.6 19.1 40.4 28.1 22 27 A A H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.898 112.0 47.8 -66.0 -40.6 21.8 43.1 27.7 23 28 A V H X S+ 0 0 54 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.920 112.0 50.5 -64.2 -43.6 24.4 40.4 26.6 24 29 A N H X S+ 0 0 94 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.917 107.2 52.6 -61.7 -44.2 21.9 38.9 24.2 25 30 A K H X S+ 0 0 105 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.919 111.7 47.8 -58.0 -43.4 21.1 42.3 22.6 26 31 A F H X S+ 0 0 66 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.938 110.9 50.0 -61.9 -48.2 24.8 42.8 22.1 27 32 A N H X S+ 0 0 69 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.908 109.4 51.6 -58.9 -43.1 25.3 39.3 20.6 28 33 A V H X S+ 0 0 58 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.945 117.1 39.9 -57.3 -47.7 22.4 39.8 18.2 29 34 A D H X S+ 0 0 33 -4,-2.0 4,-0.8 -5,-0.2 3,-0.3 0.915 114.2 50.2 -70.8 -45.1 23.9 43.1 17.0 30 35 A I H >< S+ 0 0 61 -4,-3.3 3,-0.7 1,-0.2 -1,-0.2 0.903 108.6 52.5 -66.3 -37.4 27.6 42.2 16.9 31 36 A E H 3< S+ 0 0 149 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.809 114.0 44.2 -67.3 -27.1 27.0 39.0 14.9 32 37 A R H 3< S+ 0 0 172 -4,-0.9 2,-0.4 -3,-0.3 -1,-0.2 0.486 87.9 110.8 -92.9 -5.4 25.1 41.1 12.3 33 38 A Y << + 0 0 83 -4,-0.8 3,-0.1 -3,-0.7 5,-0.0 -0.577 33.1 166.0 -74.4 125.5 27.7 43.9 12.3 34 39 A V - 0 0 148 1,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.777 57.3 -63.9-104.9 -41.1 29.5 44.0 9.0 35 40 A G S S+ 0 0 45 2,-0.1 -1,-0.5 0, 0.0 2,-0.1 -0.951 86.2 70.6 168.5 179.4 31.2 47.3 9.1 36 41 A G S S+ 0 0 59 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.372 89.3 15.0 80.7-161.9 30.5 51.0 9.2 37 42 A D - 0 0 122 1,-0.1 3,-0.2 -2,-0.1 -2,-0.1 -0.163 53.9-176.4 -58.1 130.2 29.1 53.0 12.1 38 43 A A >> + 0 0 28 1,-0.1 4,-1.9 2,-0.1 3,-1.1 0.131 44.3 118.8-114.6 19.1 29.3 51.1 15.4 39 44 A S H 3> S+ 0 0 73 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.858 76.0 56.2 -53.0 -38.8 27.5 53.6 17.7 40 45 A H H 3> S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.810 104.8 52.0 -67.1 -29.7 24.8 51.0 18.4 41 46 A L H <> S+ 0 0 15 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.888 109.7 48.6 -72.0 -40.3 27.4 48.5 19.5 42 47 A L H X S+ 0 0 114 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.915 110.7 51.7 -64.2 -40.8 28.9 51.0 22.0 43 48 A A H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.916 107.9 51.6 -59.7 -43.7 25.3 51.8 23.2 44 49 A D H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.904 109.9 50.4 -57.8 -42.0 24.8 48.0 23.7 45 50 A G H X S+ 0 0 32 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.902 109.1 50.8 -61.5 -43.7 28.0 48.0 25.7 46 51 A N H X S+ 0 0 103 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.903 108.3 51.7 -62.2 -41.5 26.8 50.9 27.8 47 52 A V H X S+ 0 0 83 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.903 110.6 49.5 -60.5 -41.3 23.5 49.1 28.5 48 53 A L H X S+ 0 0 46 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.916 110.0 49.5 -66.2 -44.3 25.5 46.1 29.7 49 54 A I H X S+ 0 0 90 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.936 112.5 48.8 -57.9 -45.4 27.8 48.2 32.0 50 55 A K H X S+ 0 0 120 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.887 109.4 51.7 -63.4 -39.6 24.7 49.8 33.4 51 56 A A H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.901 111.9 47.9 -62.2 -41.1 23.0 46.4 34.0 52 57 A T H X S+ 0 0 68 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.950 115.3 42.9 -63.6 -50.6 26.2 45.2 35.8 53 58 A L H X S+ 0 0 103 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.875 110.0 56.5 -68.1 -37.0 26.4 48.3 38.0 54 59 A D H X S+ 0 0 52 -4,-3.0 4,-3.1 -5,-0.2 -1,-0.2 0.865 104.6 55.4 -58.5 -35.0 22.6 48.2 38.6 55 60 A G H X S+ 0 0 6 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.884 102.0 55.2 -63.3 -40.7 23.3 44.7 39.9 56 61 A V H < S+ 0 0 102 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.900 115.3 39.5 -58.2 -42.1 25.8 46.0 42.4 57 62 A Q H >< S+ 0 0 128 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.911 112.8 54.6 -73.8 -43.8 23.2 48.4 43.7 58 63 A S H 3< S+ 0 0 59 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.804 115.1 38.9 -60.8 -32.1 20.3 45.9 43.6 59 64 A L T >< S+ 0 0 50 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.404 85.5 100.0-101.1 3.6 22.1 43.3 45.6 60 65 A Q T < S+ 0 0 145 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.707 89.0 41.7 -61.9 -23.2 23.7 45.7 48.1 61 66 A N T 3 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.245 88.1 111.9-108.4 5.7 21.0 44.9 50.7 62 67 A E < - 0 0 49 -3,-1.6 3,-0.1 1,-0.0 -3,-0.0 -0.719 64.9-128.6 -88.2 126.2 20.7 41.1 50.3 63 68 A P - 0 0 78 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.274 44.2 -78.9 -61.0 158.6 21.9 38.9 53.1 64 69 A P - 0 0 122 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.225 51.5-110.1 -56.4 151.2 24.4 36.1 52.1 65 70 A L - 0 0 62 -3,-0.1 2,-0.1 1,-0.1 -3,-0.0 -0.654 23.1-134.1 -84.3 137.8 22.8 33.0 50.5 66 71 A S > - 0 0 52 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.363 36.2 -96.9 -75.0 169.0 22.7 29.7 52.4 67 72 A S H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.918 127.6 45.7 -51.4 -47.7 23.7 26.5 50.6 68 73 A X H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 111.9 50.0 -66.0 -43.6 20.1 25.8 49.8 69 74 A E H > S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.882 109.3 52.5 -63.5 -39.1 19.3 29.3 48.7 70 75 A A H X S+ 0 0 33 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.898 109.2 49.1 -64.2 -40.4 22.3 29.3 46.4 71 76 A L H X S+ 0 0 52 -4,-1.9 4,-3.0 1,-0.2 8,-0.4 0.892 103.5 59.9 -65.7 -38.5 21.2 26.1 44.7 72 77 A A H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 114.9 38.0 -55.7 -32.0 17.7 27.6 44.3 73 78 A L H < S+ 0 0 25 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.909 125.6 33.6 -81.0 -48.7 19.5 30.2 42.2 74 79 A V H < S+ 0 0 128 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.772 134.5 19.6 -83.5 -34.7 22.1 28.1 40.4 75 80 A G X + 0 0 20 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 -0.520 65.6 168.4-140.1 68.4 20.2 24.8 39.9 76 81 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.788 78.9 51.7 -60.8 -30.7 16.5 25.4 40.3 77 82 A V H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 111.9 47.0 -70.8 -41.7 15.5 22.0 38.9 78 83 A Q H > S+ 0 0 94 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.910 111.2 52.5 -63.3 -42.6 17.8 20.2 41.4 79 84 A D H X S+ 0 0 23 -4,-2.6 4,-2.4 -8,-0.4 -2,-0.2 0.937 110.0 48.2 -56.4 -48.2 16.4 22.5 44.2 80 85 A L H X S+ 0 0 105 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.931 111.5 49.3 -62.3 -46.1 12.9 21.5 43.3 81 86 A S H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.939 110.8 51.1 -56.4 -47.6 13.7 17.8 43.2 82 87 A N H X S+ 0 0 65 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.897 111.0 47.7 -57.5 -42.6 15.5 18.1 46.6 83 88 A Q H X S+ 0 0 57 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.869 110.9 51.1 -71.3 -35.1 12.5 19.8 48.2 84 89 A I H X S+ 0 0 51 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 110.4 49.0 -62.5 -45.6 10.0 17.2 46.7 85 90 A X H X S+ 0 0 56 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.890 110.5 51.2 -63.9 -37.7 12.2 14.4 48.1 86 91 A L H X S+ 0 0 64 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.918 107.0 54.2 -61.5 -43.8 12.2 16.1 51.5 87 92 A A H X S+ 0 0 55 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.900 107.5 50.9 -57.6 -43.0 8.4 16.4 51.4 88 93 A I H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.944 113.1 43.5 -62.8 -47.5 8.1 12.7 50.9 89 94 A Q H X S+ 0 0 62 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 112.5 53.2 -66.7 -39.1 10.3 11.8 53.8 90 95 A N H X S+ 0 0 79 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.882 110.9 47.8 -59.0 -41.5 8.7 14.4 56.0 91 96 A L H >< S+ 0 0 47 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.947 110.4 49.6 -66.2 -48.8 5.3 12.9 55.2 92 97 A I H >< S+ 0 0 33 -4,-2.4 3,-1.8 1,-0.3 4,-0.3 0.892 104.8 61.0 -57.6 -38.9 6.4 9.3 55.9 93 98 A D H 3< S+ 0 0 118 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.739 104.9 48.7 -58.1 -27.1 7.8 10.5 59.2 94 99 A K T S+ 0 0 84 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.896 74.6 52.8 -52.6 -46.5 2.5 8.3 59.4 96 101 A E H > S+ 0 0 138 -3,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.961 112.3 40.7 -62.4 -56.0 1.7 7.4 63.0 97 102 A P H > S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.886 114.1 55.5 -60.2 -33.8 0.1 10.7 64.1 98 103 A L H <>S+ 0 0 45 -4,-2.3 5,-2.8 2,-0.2 6,-0.4 0.926 110.2 44.8 -62.6 -43.3 -1.7 10.9 60.7 99 104 A V H ><5S+ 0 0 73 -4,-2.6 3,-1.4 4,-0.2 -1,-0.2 0.914 110.8 54.0 -64.4 -42.0 -3.2 7.5 61.2 100 105 A Q H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.0 51.5 -62.6 -27.3 -4.1 8.4 64.8 101 106 A A T 3<5S- 0 0 62 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.550 120.1-110.9 -84.4 -9.5 -5.9 11.4 63.4 102 107 A G T < 5S+ 0 0 60 -3,-1.4 4,-0.2 -4,-0.4 -3,-0.2 0.601 89.1 110.5 90.9 14.7 -7.9 9.3 61.0 103 108 A F >< + 0 0 100 -5,-2.8 4,-2.5 -6,-0.2 -4,-0.2 0.329 36.7 102.0-106.5 3.7 -6.1 10.6 57.9 104 109 A G H > S+ 0 0 13 -6,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.891 86.8 43.7 -59.1 -44.2 -4.0 7.6 56.7 105 110 A G H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 113.3 51.9 -68.1 -39.9 -6.4 6.6 53.9 106 111 A K H > S+ 0 0 129 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.875 108.4 51.2 -65.2 -39.5 -6.8 10.3 52.7 107 112 A V H X S+ 0 0 22 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.938 109.9 49.5 -61.4 -46.3 -3.1 10.7 52.6 108 113 A E H X S+ 0 0 38 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 112.1 49.3 -59.0 -42.2 -2.7 7.6 50.4 109 114 A N H X S+ 0 0 89 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.935 111.2 48.5 -61.2 -47.7 -5.5 8.9 48.2 110 115 A N H X S+ 0 0 78 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 110.0 52.4 -61.3 -42.2 -3.8 12.3 47.9 111 116 A L H X S+ 0 0 14 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.872 105.7 54.0 -61.9 -39.0 -0.5 10.6 47.1 112 117 A R H X S+ 0 0 110 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.880 109.9 48.2 -62.1 -37.5 -2.1 8.6 44.3 113 118 A Q H X S+ 0 0 111 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.891 110.3 51.0 -66.3 -41.1 -3.4 11.9 42.9 114 119 A Q H X S+ 0 0 102 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.907 109.5 52.5 -60.2 -43.1 0.2 13.4 43.2 115 120 A E H X S+ 0 0 39 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.921 111.3 44.3 -59.4 -47.8 1.5 10.3 41.4 116 121 A E H X S+ 0 0 117 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.899 115.5 47.3 -66.1 -42.7 -0.9 10.7 38.5 117 122 A A H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.927 112.1 49.9 -65.6 -45.1 -0.4 14.5 38.2 118 123 A A H X S+ 0 0 29 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.890 108.4 53.9 -59.7 -41.9 3.4 14.1 38.3 119 124 A Q H X S+ 0 0 109 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.913 109.2 48.8 -57.6 -44.8 3.3 11.4 35.6 120 125 A K H X S+ 0 0 155 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.909 113.8 44.0 -64.6 -44.1 1.4 13.8 33.3 121 126 A L H X S+ 0 0 111 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.903 112.4 53.8 -68.8 -38.9 3.8 16.7 33.8 122 127 A S H X S+ 0 0 29 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.903 108.3 50.1 -58.9 -43.3 6.7 14.4 33.5 123 128 A E H X S+ 0 0 109 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.929 111.7 47.7 -58.5 -50.4 5.3 13.1 30.1 124 129 A L H >X S+ 0 0 80 -4,-2.1 3,-1.2 1,-0.2 4,-0.6 0.938 110.0 51.4 -60.2 -47.2 4.9 16.7 28.9 125 130 A V H >X S+ 0 0 60 -4,-2.8 3,-1.5 1,-0.3 4,-1.3 0.888 103.0 60.8 -57.7 -39.0 8.4 17.7 29.9 126 131 A S H 3< S+ 0 0 45 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.781 103.5 50.9 -58.9 -27.5 9.8 14.7 28.0 127 132 A T H << S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.607 112.5 46.1 -84.6 -12.2 8.3 16.1 24.8 128 133 A K H << S+ 0 0 152 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.550 89.6 94.3-108.5 -11.6 9.9 19.6 25.4 129 134 A V S < S- 0 0 38 -4,-1.3 5,-0.1 1,-0.1 2,-0.0 -0.582 84.8-102.6 -82.7 142.9 13.5 18.6 26.4 130 135 A P > - 0 0 62 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.366 36.4-109.2 -62.6 149.1 16.2 18.5 23.6 131 136 A H G > S+ 0 0 167 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.784 115.8 57.6 -52.9 -36.2 17.0 14.9 22.5 132 137 A E G 3 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.595 107.8 47.9 -74.3 -10.3 20.5 14.9 24.2 133 138 A L G <> S+ 0 0 82 -3,-2.5 4,-2.5 1,-0.1 5,-0.3 0.311 81.5 103.7-107.1 6.4 18.9 15.6 27.6 134 139 A A H <> S+ 0 0 42 -3,-1.3 4,-2.2 -4,-0.3 -2,-0.1 0.895 82.9 42.3 -55.3 -49.0 16.2 13.0 27.3 135 140 A D H > S+ 0 0 137 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.907 115.3 47.4 -70.0 -43.7 17.8 10.4 29.6 136 141 A I H > S+ 0 0 109 2,-0.2 4,-1.7 -4,-0.2 -2,-0.2 0.887 114.3 48.4 -64.8 -39.0 19.0 12.9 32.3 137 142 A S H X S+ 0 0 30 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.921 112.6 48.1 -65.5 -44.0 15.5 14.5 32.4 138 143 A R H X S+ 0 0 100 -4,-2.2 4,-3.0 -5,-0.3 -2,-0.2 0.865 107.6 56.3 -63.7 -38.3 13.9 11.1 32.6 139 144 A Q H X S+ 0 0 140 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.905 108.0 48.3 -58.9 -43.3 16.2 10.1 35.4 140 145 A L H X S+ 0 0 56 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.937 114.9 43.6 -65.0 -47.2 15.1 13.1 37.4 141 146 A S H X S+ 0 0 17 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.879 112.0 53.8 -66.7 -39.2 11.4 12.4 36.9 142 147 A D H X S+ 0 0 88 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.882 106.4 53.6 -60.6 -39.6 11.9 8.7 37.6 143 148 A G H X S+ 0 0 36 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.903 111.2 44.6 -61.7 -44.0 13.5 9.5 40.9 144 149 A I H X S+ 0 0 30 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.920 111.9 53.1 -65.3 -44.5 10.6 11.7 41.9 145 150 A A H X S+ 0 0 39 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.903 108.8 49.7 -57.3 -43.6 8.1 9.0 40.7 146 151 A A H X S+ 0 0 62 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.867 109.7 52.4 -63.2 -38.0 9.9 6.4 42.9 147 152 A G H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.923 108.4 49.0 -62.5 -46.5 9.7 8.8 45.9 148 153 A I H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.904 109.5 53.7 -60.9 -40.2 6.0 9.2 45.4 149 154 A K H X S+ 0 0 85 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.887 105.0 53.5 -62.0 -38.9 5.6 5.4 45.2 150 155 A K H X S+ 0 0 104 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.916 109.6 49.2 -60.6 -43.2 7.5 5.1 48.5 151 156 A G H >X S+ 0 0 0 -4,-2.0 3,-1.2 2,-0.2 4,-0.7 0.948 111.3 48.4 -57.9 -51.6 5.0 7.5 50.1 152 157 A I H >< S+ 0 0 3 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.926 108.1 54.8 -55.0 -46.8 2.0 5.5 48.7 153 158 A D H 3< S+ 0 0 107 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.643 104.5 55.8 -65.8 -15.0 3.5 2.2 49.9 154 159 A A H << 0 0 27 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.603 360.0 360.0 -90.7 -14.6 3.7 3.7 53.5 155 160 A F << 0 0 45 -3,-1.5 -50,-0.1 -4,-0.7 -51,-0.1 -0.191 360.0 360.0-121.4 360.0 -0.0 4.6 53.7