==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JUL-06 2HSJ . COMPND 2 MOLECULE: PUTATIVE PLATELET ACTIVATING FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.E.CUFF,R.MULLIGAN,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER F . 849 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.9 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 45 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 9 8 4 0 0 0 0 2 0 0 0 4 1 1 4 0 0 0 0 0 0 0 1 2 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 8 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 . 8 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 4 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 1 A X > 0 0 179 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 121.3 16.1 83.4 -16.8 2 2 A A H > + 0 0 77 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.863 360.0 52.4 -63.8 -36.8 13.6 84.9 -14.3 3 3 A V H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 105.2 54.1 -67.8 -43.3 13.5 81.6 -12.3 4 4 A Q H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 112.0 46.0 -51.7 -45.8 17.3 81.5 -12.0 5 5 A L H X S+ 0 0 109 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.766 108.9 53.8 -76.4 -23.5 17.1 85.0 -10.6 6 6 A L H X S+ 0 0 115 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.892 109.2 49.3 -70.0 -41.0 14.2 84.1 -8.2 7 7 A E H X S+ 0 0 92 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.915 112.8 48.9 -55.9 -43.9 16.4 81.3 -6.9 8 8 A N H X S+ 0 0 49 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.874 106.8 54.7 -64.7 -40.3 19.1 83.9 -6.6 9 9 A W H X S+ 0 0 104 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.980 109.9 46.7 -53.2 -59.0 16.7 86.3 -4.8 10 10 A L H X S+ 0 0 45 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.895 111.3 51.2 -53.1 -47.7 15.9 83.6 -2.2 11 11 A L H X S+ 0 0 80 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.916 111.2 47.8 -57.6 -46.0 19.6 82.7 -1.7 12 12 A K H X S+ 0 0 132 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.866 111.5 49.8 -64.8 -36.4 20.6 86.4 -1.1 13 13 A E H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 110.7 50.6 -70.9 -37.9 17.7 86.9 1.3 14 14 A Q H X S+ 0 0 6 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.928 110.1 49.3 -61.7 -44.4 18.8 83.8 3.2 15 15 A E H X S+ 0 0 97 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 108.9 53.3 -62.0 -39.4 22.4 85.0 3.4 16 16 A K H X S+ 0 0 109 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 110.9 46.2 -62.1 -42.4 21.2 88.4 4.7 17 17 A I H X S+ 0 0 17 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.905 110.4 53.2 -68.2 -41.0 19.3 86.7 7.5 18 18 A Q H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.924 109.9 48.5 -55.9 -43.9 22.3 84.4 8.3 19 19 A T H X S+ 0 0 96 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.943 111.7 50.0 -61.4 -45.8 24.5 87.5 8.6 20 20 A K H X S+ 0 0 62 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.929 113.1 45.5 -59.4 -48.5 21.8 89.2 10.8 21 21 A Y H X S+ 0 0 17 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.895 108.7 55.4 -63.4 -43.9 21.6 86.2 13.1 22 22 A R H X S+ 0 0 72 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.917 112.7 43.1 -59.1 -37.6 25.3 85.7 13.4 23 23 A H H >X S+ 0 0 69 -4,-2.1 4,-1.7 1,-0.2 3,-0.9 0.932 113.1 51.7 -74.5 -42.6 25.7 89.3 14.6 24 24 A L H 3X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.878 100.1 63.6 -57.1 -39.0 22.7 89.0 17.0 25 25 A N H 3< S+ 0 0 24 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.846 108.8 42.4 -55.6 -32.1 24.1 85.9 18.5 26 26 A H H << S+ 0 0 160 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.854 125.1 29.3 -83.4 -37.2 27.1 88.0 19.7 27 27 A I H < S+ 0 0 37 -4,-1.7 -2,-0.2 2,-0.0 -3,-0.2 0.456 80.6 131.9-109.8 0.1 25.3 91.1 20.9 28 28 A S < - 0 0 24 -4,-2.4 663,-0.2 -5,-0.2 662,-0.1 -0.189 48.0-149.1 -52.6 142.4 21.9 89.9 22.1 29 29 A V S S+ 0 0 92 661,-2.9 2,-0.3 660,-0.1 -1,-0.1 0.408 71.8 78.0 -95.3 1.9 20.9 91.2 25.5 30 30 A V S S- 0 0 15 660,-0.3 -2,-0.0 663,-0.1 660,-0.0 -0.790 71.5-136.1-111.6 155.7 18.8 88.1 26.3 31 31 A E - 0 0 116 -2,-0.3 25,-0.2 49,-0.1 2,-0.1 -0.932 33.5-133.6-101.2 105.3 19.6 84.5 27.4 32 32 A P - 0 0 0 0, 0.0 50,-0.3 0, 0.0 25,-0.2 -0.407 22.8-174.3 -62.0 131.8 17.3 82.4 25.2 33 33 A N S S+ 0 0 45 23,-2.6 51,-2.2 1,-0.3 52,-1.8 0.781 79.9 21.1 -86.1 -34.6 15.5 79.7 27.2 34 34 A I E -ab 57 85A 0 22,-2.4 24,-2.8 50,-0.2 2,-0.4 -0.996 69.2-157.5-137.7 130.8 14.1 78.2 24.0 35 35 A L E -ab 58 86A 0 50,-2.2 52,-2.9 -2,-0.4 2,-0.6 -0.906 6.2-154.6-105.4 133.4 15.3 78.5 20.4 36 36 A F E +ab 59 87A 5 22,-2.8 24,-2.8 -2,-0.4 2,-0.4 -0.947 20.7 179.8-106.3 121.1 13.0 77.9 17.5 37 37 A I E +ab 60 88A 4 50,-3.3 52,-2.2 -2,-0.6 2,-0.3 -0.951 25.9 71.3-123.5 139.6 14.9 76.9 14.4 38 38 A G E -ab 61 89A 0 22,-0.8 24,-2.4 -2,-0.4 52,-0.2 -0.992 68.6 -41.4 160.1-147.1 13.6 76.0 10.9 39 39 A D S >> S- 0 0 2 50,-1.6 4,-2.6 -2,-0.3 3,-0.6 0.171 82.3 -48.7 -98.8-149.6 12.1 77.3 7.7 40 40 A S H 3> S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 129.9 59.9 -55.1 -42.7 9.4 79.8 6.7 41 41 A I H 34 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.891 112.2 40.4 -60.2 -35.4 6.9 78.5 9.2 42 42 A V H X4 S+ 0 0 2 -3,-0.6 3,-1.7 47,-0.3 -2,-0.2 0.938 112.2 54.0 -74.5 -48.6 9.3 79.3 12.0 43 43 A E H 3< S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.888 115.8 40.0 -53.7 -40.2 10.5 82.7 10.6 44 44 A Y T 3< S+ 0 0 80 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.394 86.4 122.0 -91.7 2.3 7.0 83.9 10.3 45 45 A Y < - 0 0 10 -3,-1.7 2,-2.2 -5,-0.2 3,-0.2 -0.512 62.5-137.3 -70.6 123.0 5.8 82.4 13.6 46 46 A P > + 0 0 13 0, 0.0 4,-1.8 0, 0.0 5,-0.3 -0.490 38.7 164.5 -78.2 71.3 4.4 85.1 16.0 47 47 A L H >> + 0 0 12 -2,-2.2 4,-2.7 1,-0.2 5,-0.6 0.915 67.0 48.4 -58.6 -47.5 6.1 83.5 19.0 48 48 A Q H >5S+ 0 0 60 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.925 115.3 42.2 -60.1 -51.8 5.8 86.4 21.4 49 49 A E H 45S+ 0 0 11 1,-0.2 621,-3.0 2,-0.2 622,-0.3 0.741 122.8 38.1 -76.4 -18.8 2.1 87.1 20.8 50 50 A L H <5S+ 0 0 8 -4,-1.8 -2,-0.2 619,-0.2 -1,-0.2 0.778 129.2 26.2-100.0 -30.9 1.0 83.4 20.8 51 51 A F H <5S- 0 0 13 -4,-2.7 3,-0.4 -5,-0.3 -3,-0.2 0.571 97.7-142.2-100.6 -20.6 3.3 81.9 23.6 52 52 A G << - 0 0 10 -4,-1.5 5,-0.2 -5,-0.6 -1,-0.2 -0.279 27.0 -81.7 79.0-172.6 3.9 84.9 25.7 53 53 A T S S+ 0 0 47 1,-0.1 -1,-0.2 3,-0.1 -5,-0.1 0.163 85.5 114.7-125.3 19.8 7.1 85.8 27.4 54 54 A S S S+ 0 0 87 -3,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.869 93.9 31.2 -57.8 -33.2 7.2 83.7 30.6 55 55 A K S S- 0 0 48 -3,-0.2 2,-0.9 -4,-0.1 -1,-0.1 -0.952 98.6-112.0-121.3 146.2 10.1 82.0 28.9 56 56 A T - 0 0 28 -2,-0.4 -23,-2.6 -25,-0.2 -22,-2.4 -0.685 38.2-175.7 -85.3 108.6 12.5 83.7 26.5 57 57 A I E -a 34 0A 10 -2,-0.9 2,-0.4 -5,-0.2 -22,-0.2 -0.918 6.1-160.7-108.9 124.2 11.8 82.2 23.1 58 58 A V E -a 35 0A 0 -24,-2.8 -22,-2.8 -2,-0.5 2,-0.5 -0.899 13.0-131.0-114.8 136.7 14.1 83.3 20.3 59 59 A N E +a 36 0A 34 -2,-0.4 -22,-0.2 -24,-0.2 -16,-0.1 -0.692 33.2 159.9 -88.1 123.2 13.4 83.0 16.6 60 60 A R E +a 37 0A 0 -24,-2.8 -22,-0.8 -2,-0.5 2,-0.2 -0.232 33.5 131.2-130.5 41.3 16.1 81.5 14.4 61 61 A G E -a 38 0A 0 -24,-0.3 2,-0.4 -19,-0.2 -22,-0.2 -0.634 37.5-161.3 -91.2 156.5 13.9 80.5 11.4 62 62 A I > - 0 0 0 -24,-2.4 3,-1.6 -2,-0.2 -22,-0.2 -0.979 24.4-110.9-141.7 126.7 14.7 81.3 7.8 63 63 A R T 3 S+ 0 0 36 -2,-0.4 -24,-0.0 -24,-0.3 -25,-0.0 -0.134 99.5 13.0 -51.3 141.1 12.4 81.3 4.8 64 64 A G T 3 S+ 0 0 15 1,-0.2 -1,-0.2 -50,-0.0 -25,-0.1 0.540 89.7 161.7 71.4 9.7 13.0 78.6 2.2 65 65 A Y < - 0 0 0 -3,-1.6 28,-0.4 -27,-0.1 26,-0.4 -0.208 19.1-170.0 -70.3 152.4 15.3 76.6 4.5 66 66 A Q > - 0 0 41 27,-0.1 4,-2.3 24,-0.1 3,-0.3 -0.887 39.5-100.6-133.8 161.1 16.2 73.0 4.0 67 67 A T H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.863 120.4 51.7 -54.3 -38.7 18.0 70.5 6.2 68 68 A G H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 109.6 48.1 -67.2 -39.8 21.3 70.9 4.2 69 69 A L H > S+ 0 0 37 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.892 112.2 50.7 -67.8 -37.9 21.3 74.7 4.4 70 70 A L H < S+ 0 0 0 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.933 110.6 47.9 -64.7 -44.2 20.6 74.5 8.1 71 71 A L H >< S+ 0 0 52 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.942 111.4 50.0 -64.5 -46.3 23.4 72.0 8.8 72 72 A E H 3< S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.778 123.8 31.2 -59.8 -29.6 25.9 74.1 6.8 73 73 A N T >< S+ 0 0 29 -4,-1.4 3,-2.1 -3,-0.3 4,-0.4 0.031 77.3 130.8-120.1 27.7 25.0 77.3 8.7 74 74 A L G X + 0 0 10 -3,-1.3 3,-2.2 1,-0.3 4,-0.4 0.812 64.2 66.8 -58.3 -33.1 24.1 75.8 12.0 75 75 A D G > S+ 0 0 91 1,-0.3 3,-0.7 -4,-0.2 -1,-0.3 0.754 92.3 61.9 -58.8 -26.8 26.2 78.3 14.0 76 76 A A G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.701 105.0 49.0 -70.3 -17.1 23.9 81.1 12.9 77 77 A H G < S+ 0 0 0 -3,-2.2 2,-0.4 -4,-0.4 -1,-0.2 0.430 99.9 68.6-106.3 -4.1 21.0 79.4 14.7 78 78 A L < + 0 0 16 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.1 -0.973 50.1 130.3-126.6 127.3 22.5 78.6 18.2 79 79 A Y + 0 0 21 -2,-0.4 2,-0.1 -47,-0.0 -53,-0.1 -0.972 23.0 82.5-158.9 168.7 23.5 80.8 21.1 80 80 A G - 0 0 26 -2,-0.3 3,-0.3 -55,-0.2 -49,-0.1 -0.141 57.4-118.1 116.6 150.6 23.1 81.3 24.8 81 81 A G S S+ 0 0 70 1,-0.2 -1,-0.1 -2,-0.1 -50,-0.1 0.414 107.3 36.7 -97.9 -1.7 24.5 80.0 28.1 82 82 A A + 0 0 63 -50,-0.3 2,-0.7 37,-0.0 -1,-0.2 -0.327 69.3 161.9-149.0 58.5 21.3 78.5 29.5 83 83 A V - 0 0 11 -3,-0.3 -50,-0.2 1,-0.2 -49,-0.2 -0.752 11.6-179.7 -89.6 116.2 19.2 77.0 26.6 84 84 A D + 0 0 52 -51,-2.2 39,-2.7 -2,-0.7 2,-0.3 0.897 64.8 8.1 -80.9 -44.1 16.6 74.6 27.9 85 85 A K E -bc 34 123A 19 -52,-1.8 -50,-2.2 37,-0.2 2,-0.4 -0.987 51.3-155.9-143.0 149.1 15.0 73.5 24.6 86 86 A I E -bc 35 124A 5 37,-2.9 39,-3.4 -2,-0.3 2,-0.5 -0.997 13.8-156.9-121.0 126.2 15.4 73.8 20.9 87 87 A F E -bc 36 125A 2 -52,-2.9 -50,-3.3 -2,-0.4 2,-0.5 -0.917 10.7-165.4-102.3 129.0 12.3 73.3 18.6 88 88 A L E +bc 37 126A 6 37,-2.8 39,-2.6 -2,-0.5 2,-0.5 -0.966 14.9 172.5-122.0 118.3 13.1 72.3 15.1 89 89 A L E +b 38 0A 8 -52,-2.2 -50,-1.6 -2,-0.5 2,-0.3 -0.926 31.1 122.7-125.1 106.8 10.6 72.5 12.2 90 90 A I + 0 0 0 -2,-0.5 -24,-0.1 37,-0.4 39,-0.1 -0.990 24.7 75.7-161.9 154.0 12.2 71.7 8.9 91 91 A G > + 0 0 0 -26,-0.4 4,-2.4 -2,-0.3 3,-0.3 -0.035 62.7 99.9 130.1 -29.4 11.9 69.3 5.9 92 92 A T H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -26,-0.1 0.847 90.2 47.5 -58.6 -29.3 8.9 70.6 3.9 93 93 A N H > S+ 0 0 19 -28,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.797 106.1 57.0 -83.1 -23.8 11.3 72.4 1.5 94 94 A D H 4>S+ 0 0 1 -3,-0.3 5,-2.8 2,-0.2 3,-0.3 0.937 110.5 44.7 -63.3 -47.4 13.5 69.3 1.2 95 95 A I H ><5S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.933 111.1 54.4 -59.0 -44.4 10.3 67.5 0.0 96 96 A G H 3<5S+ 0 0 4 -4,-2.0 48,-0.3 1,-0.3 -1,-0.2 0.773 112.0 43.4 -63.1 -25.6 9.5 70.4 -2.3 97 97 A K T 3<5S- 0 0 128 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.282 114.3-115.9-101.8 6.7 12.9 70.2 -3.9 98 98 A D T < 5 + 0 0 119 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.844 49.2 173.0 63.3 35.1 12.9 66.4 -4.2 99 99 A V < - 0 0 19 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.611 43.1-101.6 -70.1 132.5 15.8 65.9 -1.8 100 100 A P >> - 0 0 76 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.325 25.0-127.5 -54.6 134.0 16.2 62.1 -1.1 101 101 A V H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 109.6 56.1 -53.7 -41.7 14.8 61.2 2.3 102 102 A N H 3> S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 106.4 50.8 -57.5 -38.4 18.1 59.5 3.3 103 103 A E H <> S+ 0 0 99 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.923 111.3 46.7 -65.9 -44.6 20.0 62.7 2.5 104 104 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.898 112.5 50.4 -65.1 -41.5 17.6 64.8 4.7 105 105 A L H X S+ 0 0 32 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.880 109.3 50.3 -65.7 -39.2 17.8 62.3 7.6 106 106 A N H X S+ 0 0 101 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.901 110.4 51.0 -64.2 -39.5 21.6 62.2 7.5 107 107 A N H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.937 111.9 46.8 -61.4 -45.7 21.6 66.0 7.6 108 108 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.896 111.0 51.1 -62.6 -40.5 19.2 66.0 10.6 109 109 A E H X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.928 109.8 50.7 -62.9 -42.6 21.3 63.4 12.4 110 110 A A H X S+ 0 0 33 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.895 111.3 49.0 -59.7 -41.3 24.4 65.5 11.8 111 111 A I H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.955 110.6 49.5 -62.7 -49.1 22.5 68.5 13.2 112 112 A I H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.919 111.0 49.9 -57.0 -44.4 21.3 66.6 16.3 113 113 A Q H X S+ 0 0 80 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.887 110.5 50.0 -63.0 -38.4 24.9 65.3 17.0 114 114 A S H X S+ 0 0 25 -4,-1.9 4,-1.9 2,-0.2 3,-0.4 0.951 111.8 46.8 -65.0 -50.9 26.4 68.8 16.7 115 115 A V H X S+ 0 0 4 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.902 107.4 60.7 -55.0 -42.6 23.8 70.3 19.1 116 116 A A H < S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.863 108.5 40.6 -53.3 -43.8 24.5 67.3 21.5 117 117 A R H < S+ 0 0 168 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.881 123.5 37.4 -76.7 -36.8 28.1 68.1 22.0 118 118 A D H < S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.757 130.1 29.4 -83.7 -29.5 27.8 71.9 22.2 119 119 A Y >< + 0 0 40 -4,-3.1 3,-1.3 -5,-0.3 -1,-0.2 -0.617 69.3 163.0-131.3 67.9 24.4 72.0 24.2 120 120 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.720 75.2 46.2 -71.3 -19.7 24.4 68.8 26.3 121 121 A L T 3 S+ 0 0 163 -38,-0.1 2,-0.4 2,-0.1 -5,-0.1 0.416 93.2 105.4 -97.8 3.7 21.7 69.7 28.8 122 122 A T < - 0 0 8 -3,-1.3 2,-0.3 -7,-0.2 -37,-0.2 -0.684 64.6-137.7 -93.4 131.0 19.4 71.0 26.0 123 123 A E E -c 85 0A 75 -39,-2.7 -37,-2.9 -2,-0.4 2,-0.5 -0.648 11.5-147.2 -85.8 140.5 16.3 69.1 24.8 124 124 A I E -cd 86 167A 5 42,-3.1 44,-2.6 -2,-0.3 2,-0.6 -0.942 5.8-161.6-106.5 128.0 15.6 69.0 21.1 125 125 A K E -cd 87 168A 15 -39,-3.4 -37,-2.8 -2,-0.5 2,-0.8 -0.959 6.8-161.9-109.7 107.6 12.0 68.9 20.0 126 126 A L E -cd 88 169A 0 42,-2.2 44,-2.5 -2,-0.6 2,-0.2 -0.837 13.9-148.6 -94.4 106.2 11.8 67.6 16.5 127 127 A L E - d 0 170A 3 -39,-2.6 -37,-0.4 -2,-0.8 2,-0.1 -0.472 17.8-109.0 -75.3 145.8 8.4 68.5 15.0 128 128 A S - 0 0 1 42,-2.6 2,-0.1 -2,-0.2 -1,-0.1 -0.432 44.8-100.1 -57.7 140.7 6.6 66.5 12.5 129 129 A I - 0 0 2 21,-0.3 -1,-0.1 1,-0.1 44,-0.1 -0.460 49.2-110.6 -58.1 140.7 6.6 68.2 9.1 130 130 A L - 0 0 6 1,-0.1 -1,-0.1 -2,-0.1 43,-0.1 -0.333 29.8-102.1 -79.8 158.1 3.2 69.9 8.9 131 131 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.303 31.0-146.2 -71.0 162.4 0.4 68.8 6.4 132 132 A V - 0 0 0 49,-0.2 51,-2.0 56,-0.0 2,-0.6 -0.760 18.5-114.7-115.7 168.8 -0.3 70.7 3.2 133 133 A N - 0 0 2 58,-2.2 9,-0.1 49,-0.3 5,-0.1 -0.946 22.7-162.9-106.5 118.3 -3.6 71.3 1.4 134 134 A E + 0 0 68 -2,-0.6 -1,-0.1 8,-0.1 5,-0.1 0.436 43.9 127.0 -85.0 -0.4 -3.5 69.4 -1.9 135 135 A R S > S- 0 0 151 1,-0.1 3,-2.1 3,-0.1 4,-0.2 -0.205 71.3-116.3 -59.6 147.4 -6.4 71.2 -3.6 136 136 A E G > S+ 0 0 156 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.837 111.0 67.7 -58.1 -32.6 -5.6 72.8 -7.0 137 137 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.711 104.5 44.7 -59.9 -21.1 -6.2 76.3 -5.7 138 138 A Y G X> S+ 0 0 25 -3,-2.1 4,-2.5 1,-0.1 3,-1.4 0.305 78.3 109.6-104.5 9.4 -3.1 75.9 -3.5 139 139 A Q H <> + 0 0 65 -3,-1.9 4,-2.1 1,-0.3 -1,-0.1 0.751 65.9 67.0 -64.5 -24.7 -0.7 74.4 -6.1 140 140 A Q H 34 S+ 0 0 196 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.775 116.8 25.6 -65.5 -29.4 1.5 77.4 -6.5 141 141 A A H <4 S+ 0 0 22 -3,-1.4 -2,-0.2 49,-0.5 -1,-0.2 0.773 125.1 48.7 -97.3 -40.3 2.8 77.1 -2.9 142 142 A V H >< S+ 0 0 0 -4,-2.5 3,-1.9 48,-0.4 -3,-0.2 0.902 76.3 158.4 -74.6 -40.7 2.3 73.4 -2.4 143 143 A Y T 3< S- 0 0 138 -4,-2.1 -1,-0.1 1,-0.3 -2,-0.1 -0.237 71.8 -10.1 57.5-134.0 3.9 72.2 -5.6 144 144 A I T 3 S+ 0 0 60 -48,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.451 102.7 118.0 -83.8 2.7 5.1 68.5 -5.5 145 145 A R < - 0 0 24 -3,-1.9 2,-0.3 4,-0.1 3,-0.0 -0.434 40.4-179.3 -66.9 140.5 4.5 68.1 -1.7 146 146 A S > - 0 0 31 -2,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.977 37.8-124.2-135.6 153.6 1.9 65.5 -0.8 147 147 A N H > S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.809 112.5 59.1 -65.5 -28.2 0.6 64.4 2.6 148 148 A E H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 109.0 44.0 -63.1 -45.7 1.6 60.8 1.8 149 149 A K H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 113.5 51.1 -59.9 -51.6 5.2 62.0 1.4 150 150 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -21,-0.3 0.903 109.4 49.5 -56.7 -43.4 5.0 64.1 4.5 151 151 A Q H X S+ 0 0 79 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.879 110.3 51.4 -66.6 -35.7 3.7 61.2 6.6 152 152 A N H X S+ 0 0 115 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.915 111.4 47.0 -65.5 -42.7 6.4 58.9 5.3 153 153 A W H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.897 108.8 55.9 -63.7 -39.1 9.1 61.5 6.3 154 154 A N H X S+ 0 0 12 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.883 103.2 54.2 -63.9 -34.4 7.4 61.9 9.6 155 155 A Q H X S+ 0 0 83 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.928 110.3 47.4 -60.5 -42.4 7.8 58.2 10.3 156 156 A A H X S+ 0 0 19 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.864 109.7 52.4 -66.6 -38.7 11.5 58.5 9.6 157 157 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.905 108.0 51.7 -61.9 -43.1 11.8 61.5 11.8 158 158 A Q H X S+ 0 0 93 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.905 110.4 49.0 -59.7 -40.4 10.1 59.6 14.6 159 159 A E H < S+ 0 0 116 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.919 110.6 49.3 -68.6 -40.3 12.6 56.8 14.1 160 160 A L H >< S+ 0 0 16 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.939 107.9 54.6 -62.9 -44.9 15.6 59.1 14.2 161 161 A A H >< S+ 0 0 6 -4,-2.6 3,-1.6 1,-0.3 6,-0.3 0.841 99.9 62.3 -55.2 -37.0 14.2 60.8 17.4 162 162 A S T 3< S+ 0 0 99 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.632 95.6 61.4 -65.6 -13.6 14.2 57.3 19.1 163 163 A A T < S+ 0 0 65 -3,-1.8 2,-0.4 -4,-0.4 -1,-0.3 0.443 100.9 56.0 -94.8 -0.3 17.9 57.0 18.6 164 164 A Y X - 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