==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-SEP-98 1BWP . COMPND 2 MOLECULE: PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.S.HO,P.J.SHEFFIELD,J.MASUYAMA,H.ARAI,J.LI,J.AOKI,K.INOUE, . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 0 1 1 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 5 A E 0 0 193 0, 0.0 3,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 130.4 34.6 -20.4 19.3 2 6 A N > - 0 0 39 1,-0.1 3,-1.6 106,-0.1 4,-0.3 -0.837 360.0-144.3 -68.2 117.4 37.3 -19.7 21.8 3 7 A P G > S+ 0 0 36 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.859 96.6 60.6 -52.2 -37.4 38.0 -16.1 21.0 4 8 A A G 3 S+ 0 0 0 1,-0.2 111,-0.0 69,-0.1 100,-0.0 0.663 109.6 40.2 -68.8 -19.3 41.7 -16.7 21.6 5 9 A S G < S+ 0 0 39 -3,-1.6 -1,-0.2 2,-0.1 -3,-0.0 0.229 87.9 100.4-117.6 14.9 42.0 -19.3 18.9 6 10 A K S < S- 0 0 85 -3,-1.1 72,-0.1 -4,-0.3 71,-0.1 -0.875 78.1-126.6 -98.7 112.6 39.8 -17.6 16.2 7 11 A P + 0 0 51 0, 0.0 68,-0.2 0, 0.0 67,-0.1 -0.319 44.7 150.2 -66.0 131.1 42.3 -16.0 13.9 8 12 A T - 0 0 63 66,-1.3 70,-0.3 -2,-0.0 71,-0.2 -0.976 40.4-118.4-158.3 145.1 41.7 -12.2 13.2 9 13 A P - 0 0 44 0, 0.0 2,-0.7 0, 0.0 67,-0.1 -0.368 42.6 -94.9 -72.4 162.3 43.8 -9.2 12.4 10 14 A V - 0 0 52 65,-0.1 2,-0.2 -2,-0.1 10,-0.1 -0.764 43.2-131.4 -74.2 114.9 44.0 -6.1 14.7 11 15 A Q - 0 0 153 -2,-0.7 2,-0.9 1,-0.1 -3,-0.0 -0.508 18.0-120.7 -62.9 136.0 41.4 -3.7 13.4 12 16 A D + 0 0 74 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.673 44.3 158.8 -83.4 106.9 42.7 -0.1 12.9 13 17 A V S S+ 0 0 113 -2,-0.9 -1,-0.2 1,-0.0 -2,-0.0 0.207 72.5 54.7-104.3 14.5 40.7 2.2 15.1 14 18 A Q S S- 0 0 155 -3,-0.0 -2,-0.1 0, 0.0 -1,-0.0 0.763 98.7-127.2-116.7 -48.1 43.4 4.9 15.2 15 19 A G S S+ 0 0 64 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.279 81.0 92.1 125.7 -8.2 44.1 5.6 11.5 16 20 A D S S- 0 0 95 0, 0.0 -4,-0.0 0, 0.0 -3,-0.0 0.368 77.9-135.8 -93.6 3.1 47.8 5.3 10.7 17 21 A G > + 0 0 24 1,-0.1 4,-2.0 3,-0.1 5,-0.2 0.703 50.3 147.7 63.2 23.2 47.7 1.6 9.7 18 22 A R H > + 0 0 149 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.816 63.9 56.0 -72.8 -30.0 50.9 0.6 11.6 19 23 A W H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 111.6 43.1 -64.6 -46.8 49.9 -3.0 12.6 20 24 A M H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.860 110.2 57.2 -68.9 -34.8 49.3 -4.0 8.9 21 25 A S H X S+ 0 0 77 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.902 108.8 46.9 -60.2 -40.7 52.5 -2.2 7.9 22 26 A L H X S+ 0 0 24 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.947 111.8 49.9 -64.7 -47.0 54.4 -4.4 10.3 23 27 A H H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.923 110.8 49.8 -56.6 -47.3 52.7 -7.6 9.1 24 28 A H H X S+ 0 0 117 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.876 108.9 52.6 -61.7 -37.4 53.4 -6.7 5.4 25 29 A R H X S+ 0 0 145 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.921 109.9 47.9 -61.8 -45.1 57.1 -6.0 6.3 26 30 A F H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.885 108.3 55.4 -64.0 -40.6 57.4 -9.5 7.9 27 31 A V H X S+ 0 0 42 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.918 109.4 46.6 -53.8 -46.8 55.7 -11.1 4.9 28 32 A A H X S+ 0 0 42 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.876 108.2 56.6 -66.7 -37.1 58.4 -9.5 2.7 29 33 A D H X S+ 0 0 40 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 109.6 45.1 -53.6 -49.2 61.1 -10.7 5.1 30 34 A S H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.884 111.5 53.1 -67.1 -36.8 59.9 -14.3 4.7 31 35 A K H < S+ 0 0 144 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 120.5 32.5 -59.9 -38.0 59.6 -13.9 0.9 32 36 A D H < S+ 0 0 124 -4,-2.0 -2,-0.2 -5,-0.1 2,-0.2 0.614 113.9 56.3-102.9 -15.2 63.2 -12.6 0.6 33 37 A K < - 0 0 112 -4,-2.0 31,-0.0 -5,-0.2 -4,-0.0 -0.619 60.2-140.8-117.8 174.3 65.2 -14.5 3.4 34 38 A E - 0 0 135 -2,-0.2 -4,-0.1 54,-0.1 54,-0.1 -0.518 29.4-174.0-134.1 72.3 65.9 -18.0 4.7 35 39 A P - 0 0 7 0, 0.0 54,-0.4 0, 0.0 28,-0.2 -0.223 24.9-159.9 -62.1 150.0 65.8 -18.0 8.5 36 40 A E S S+ 0 0 69 26,-2.8 56,-2.0 25,-0.3 55,-1.7 0.689 86.9 31.8 -90.8 -30.3 66.8 -21.0 10.6 37 41 A V E -ab 63 92A 0 25,-1.8 27,-1.9 54,-0.2 2,-0.5 -0.999 68.1-163.8-129.2 130.4 64.8 -19.6 13.6 38 42 A V E -ab 64 93A 0 54,-2.1 56,-2.6 -2,-0.4 2,-0.4 -0.960 6.0-160.2-115.4 128.1 61.6 -17.4 13.5 39 43 A F E +ab 65 94A 2 25,-3.2 27,-2.9 -2,-0.5 2,-0.3 -0.913 15.9 170.9-100.9 133.8 60.5 -15.5 16.6 40 44 A I E +ab 66 95A 0 54,-2.3 56,-1.9 -2,-0.4 2,-0.3 -0.997 22.8 83.2-144.3 141.0 56.8 -14.4 16.9 41 45 A G E -ab 67 96A 0 25,-0.7 27,-2.4 -2,-0.3 56,-0.2 -0.976 67.8 -47.8 165.1-156.1 54.8 -12.8 19.8 42 46 A D S >> S- 0 0 5 54,-1.6 4,-1.9 -2,-0.3 3,-1.4 0.116 84.5 -51.7 -91.3-154.1 53.9 -9.6 21.5 43 47 A S H 3> S+ 0 0 12 25,-0.3 4,-2.6 1,-0.3 5,-0.4 0.796 127.7 68.2 -59.8 -26.9 56.1 -6.7 22.8 44 48 A A H 3> S+ 0 0 18 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.885 109.7 37.0 -61.4 -33.8 58.4 -9.2 24.8 45 49 A V H <> S+ 0 0 1 -3,-1.4 4,-0.9 51,-0.3 3,-0.3 0.916 116.4 53.3 -74.7 -47.5 59.6 -10.5 21.4 46 50 A Q H >X S+ 0 0 59 -4,-1.9 3,-0.6 1,-0.2 4,-0.6 0.893 110.5 44.4 -57.9 -45.1 59.6 -7.1 19.6 47 51 A L H 3X>S+ 0 0 42 -4,-2.6 4,-3.6 1,-0.2 5,-0.7 0.719 98.1 72.0 -81.2 -19.2 61.7 -5.2 22.2 48 52 A M H 3<5S+ 0 0 1 -4,-0.5 6,-0.6 -5,-0.4 4,-0.5 0.888 96.4 54.6 -59.7 -36.9 64.3 -8.1 22.5 49 53 A H H <<5S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.6 5,-0.2 0.809 121.7 27.4 -63.6 -37.4 65.3 -7.0 19.0 50 54 A Q H <5S+ 0 0 142 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.2 0.845 132.1 28.2 -77.9 -43.0 65.9 -3.4 20.1 51 55 A C T <5S+ 0 0 63 -4,-3.6 -3,-0.2 -5,-0.1 2,-0.2 0.670 112.4 50.0-136.8 -27.8 66.7 -3.7 23.7 52 56 A E S + 0 0 51 -2,-0.2 4,-1.0 1,-0.2 3,-0.5 -0.803 45.3 174.0-108.4 93.2 71.2 -7.4 22.2 54 58 A W H >>S+ 0 0 15 -2,-0.7 4,-2.8 -6,-0.6 5,-2.1 0.871 73.4 70.1 -37.8 -46.9 69.7 -9.7 19.7 55 59 A R H 45S+ 0 0 155 1,-0.2 -1,-0.2 3,-0.2 -2,-0.0 0.811 97.5 45.4 -62.5 -37.0 73.0 -9.2 17.7 56 60 A E H 45S+ 0 0 122 -3,-0.5 -1,-0.2 3,-0.1 -2,-0.2 0.886 129.7 17.3 -73.6 -40.3 75.3 -11.1 20.1 57 61 A L H <5S+ 0 0 24 -4,-1.0 -2,-0.2 -3,-0.1 4,-0.2 0.767 133.0 27.6-108.6 -35.7 73.2 -14.2 20.7 58 62 A F T ><5S+ 0 0 0 -4,-2.8 3,-0.7 -5,-0.3 4,-0.3 0.758 103.9 67.3-113.2 -29.6 70.5 -14.5 18.1 59 63 A S G > - 0 0 6 -27,-2.4 3,-1.7 -2,-0.2 -25,-0.3 -0.975 26.8-116.9-131.2 125.7 54.3 -6.8 17.6 69 73 A G T 3 S+ 0 0 34 -2,-0.4 -27,-0.1 -27,-0.3 -28,-0.0 -0.254 96.3 17.6 -57.3 135.1 53.5 -4.8 20.7 70 74 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 0, 0.0 -28,-0.1 0.357 85.6 146.9 93.1 -8.4 49.9 -5.5 22.0 71 75 A D < - 0 0 1 -3,-1.7 27,-0.5 -30,-0.1 29,-0.4 -0.371 31.5-156.2 -68.8 138.6 49.2 -8.7 20.1 72 76 A S >> - 0 0 12 28,-0.1 4,-1.7 25,-0.1 3,-0.9 -0.557 39.4 -90.3 -92.2 175.9 47.0 -11.5 21.7 73 77 A T H 3> S+ 0 0 0 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.889 125.2 53.9 -51.8 -46.0 47.2 -15.2 20.8 74 78 A Q H 3> S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -66,-1.3 0.773 106.5 51.7 -68.2 -24.6 44.5 -14.8 18.0 75 79 A H H <> S+ 0 0 29 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.882 109.9 48.9 -79.7 -39.8 46.5 -12.0 16.2 76 80 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.897 110.0 52.2 -59.2 -47.4 49.6 -14.1 16.2 77 81 A L H X S+ 0 0 6 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.936 110.1 49.1 -55.5 -47.2 47.7 -17.1 14.8 78 82 A W H X S+ 0 0 42 -4,-1.8 4,-1.1 -70,-0.3 3,-0.3 0.914 109.1 51.4 -58.9 -46.3 46.3 -14.9 12.0 79 83 A R H ><>S+ 0 0 0 -4,-2.3 5,-1.6 1,-0.2 3,-0.5 0.895 109.7 49.8 -61.5 -40.2 49.7 -13.5 11.0 80 84 A L H 3<5S+ 0 0 1 -4,-2.1 5,-0.5 1,-0.2 3,-0.4 0.740 113.7 46.3 -68.8 -25.9 51.1 -17.0 10.8 81 85 A E H 3<5S+ 0 0 85 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.608 109.8 56.4 -83.6 -17.3 48.2 -18.1 8.5 82 86 A N T <<5S- 0 0 75 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.1 -0.074 129.3 -55.0-122.3 34.9 48.4 -15.0 6.3 83 87 A G T > 5S+ 0 0 12 -3,-0.4 3,-1.6 -57,-0.0 -3,-0.1 0.037 104.3 98.2 136.4 -24.1 51.9 -14.8 4.9 84 88 A E T 3 S+ 0 0 0 -5,-0.5 3,-0.6 -6,-0.2 -1,-0.3 0.283 91.0 113.5-103.6 8.0 55.3 -18.6 7.3 86 90 A E T < S+ 0 0 64 -3,-1.6 3,-0.1 1,-0.2 -4,-0.0 -0.472 76.7 8.9 -78.8 148.6 55.4 -18.5 3.4 87 91 A H T 3 S+ 0 0 129 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.590 107.1 95.8 70.8 14.0 58.5 -19.2 1.4 88 92 A I < - 0 0 11 -3,-0.6 -1,-0.2 -54,-0.1 -54,-0.1 -0.837 53.4-159.3-131.1 166.3 60.7 -20.3 4.3 89 93 A R - 0 0 167 -54,-0.4 -3,-0.0 -2,-0.3 35,-0.0 -0.372 23.5-178.2-146.3 61.6 61.8 -23.5 6.1 90 94 A P - 0 0 0 0, 0.0 -54,-0.2 0, 0.0 -53,-0.2 -0.207 26.7-147.1 -60.5 149.1 63.0 -22.8 9.6 91 95 A K S S+ 0 0 106 -55,-1.7 37,-2.7 1,-0.2 2,-0.4 0.783 85.7 27.5 -78.3 -34.5 64.3 -25.4 12.0 92 96 A I E -bc 37 128A 1 -56,-2.0 -54,-2.1 35,-0.3 2,-0.5 -0.998 59.4-165.8-134.7 132.9 62.9 -23.7 15.1 93 97 A V E -bc 38 129A 0 35,-2.5 37,-2.6 -2,-0.4 2,-0.5 -0.989 13.5-156.3-113.6 124.9 59.9 -21.4 15.7 94 98 A V E -bc 39 130A 2 -56,-2.6 -54,-2.3 -2,-0.5 2,-0.4 -0.853 8.2-164.4 -99.7 124.6 59.8 -19.6 19.1 95 99 A V E +bc 40 131A 1 35,-3.6 37,-2.2 -2,-0.5 2,-0.2 -0.941 16.3 166.5-113.5 131.2 56.4 -18.4 20.4 96 100 A W E +b 41 0A 10 -56,-1.9 -54,-1.6 -2,-0.4 -51,-0.3 -0.744 30.7 112.3-145.5 95.4 55.9 -15.9 23.2 97 101 A V + 0 0 3 35,-0.3 -25,-0.1 -2,-0.2 37,-0.1 -0.981 24.7 83.2-157.3 155.4 52.4 -14.5 23.6 98 102 A G > + 0 0 0 -27,-0.5 3,-1.4 -2,-0.3 -25,-0.1 0.041 60.5 97.3 135.0 -24.2 49.3 -14.5 25.9 99 103 A T T 3 S+ 0 0 18 1,-0.3 -27,-0.1 -27,-0.1 49,-0.1 0.761 87.8 53.0 -66.4 -24.2 49.9 -11.8 28.6 100 104 A N T 3 S+ 0 0 24 -29,-0.4 2,-2.2 1,-0.1 -1,-0.3 0.401 72.5 108.8 -91.6 3.3 47.8 -9.3 26.6 101 105 A N X + 0 0 1 -3,-1.4 3,-1.7 -30,-0.1 -1,-0.1 -0.321 51.8 179.2 -74.4 57.5 44.7 -11.5 26.2 102 106 A H T 3 + 0 0 105 -2,-2.2 3,-0.1 1,-0.3 -2,-0.1 -0.376 64.8 27.1 -66.4 134.5 42.6 -9.4 28.6 103 107 A G T 3 S+ 0 0 79 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.370 99.2 105.4 91.1 -6.0 39.0 -10.7 29.1 104 108 A H S < S- 0 0 27 -3,-1.7 -1,-0.3 -101,-0.1 -3,-0.0 -0.923 72.2-121.7-102.4 137.8 40.0 -14.3 28.2 105 109 A T > - 0 0 71 -2,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.231 29.8-105.6 -64.0 162.2 40.2 -16.9 31.0 106 110 A A H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.864 123.3 54.9 -59.5 -39.1 43.5 -18.7 31.5 107 111 A E H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 107.6 49.1 -58.2 -44.1 41.9 -21.8 29.9 108 112 A Q H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.943 109.9 50.5 -64.5 -45.3 41.0 -19.8 26.8 109 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 108.8 52.9 -57.5 -44.1 44.6 -18.3 26.5 110 114 A T H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.921 107.5 51.1 -56.3 -43.7 46.0 -21.9 26.8 111 115 A G H X S+ 0 0 22 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.929 108.5 53.1 -62.3 -42.4 43.7 -22.9 23.9 112 116 A G H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.915 109.7 46.8 -52.2 -49.0 45.0 -20.0 21.9 113 117 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.908 111.4 51.8 -65.1 -41.1 48.6 -21.1 22.5 114 118 A K H X S+ 0 0 109 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.884 106.8 53.2 -63.3 -36.4 47.8 -24.7 21.6 115 119 A A H X S+ 0 0 29 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.866 107.6 51.9 -69.3 -32.3 46.2 -23.6 18.3 116 120 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.941 109.3 49.1 -64.2 -47.8 49.4 -21.7 17.4 117 121 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 111.8 49.7 -58.8 -42.7 51.5 -24.8 18.0 118 122 A Q H X S+ 0 0 97 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.895 109.3 50.3 -62.9 -44.1 49.2 -26.9 15.8 119 123 A L H X S+ 0 0 22 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.943 111.6 48.3 -59.7 -47.7 49.2 -24.5 12.9 120 124 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 7,-0.3 0.909 110.1 52.8 -60.4 -40.5 53.0 -24.4 13.0 121 125 A N H < S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.779 114.9 42.3 -63.0 -29.1 53.0 -28.2 13.1 122 126 A E H < S+ 0 0 129 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.921 122.8 34.3 -82.3 -47.4 50.8 -28.2 10.0 123 127 A R H < S+ 0 0 94 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.814 135.4 22.4 -81.8 -29.5 52.4 -25.5 7.9 124 128 A Q S >< S+ 0 0 3 -4,-2.4 3,-2.3 -5,-0.3 -1,-0.2 -0.490 70.9 166.1-137.9 60.0 56.1 -26.1 8.9 125 129 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.658 70.7 61.7 -61.8 -20.7 56.1 -29.7 10.2 126 130 A Q T 3 S+ 0 0 53 -36,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.677 88.4 96.0 -70.0 -18.2 59.9 -30.1 10.2 127 131 A A S < S- 0 0 0 -3,-2.3 -35,-0.3 -7,-0.3 2,-0.2 -0.502 70.7-133.0 -86.2 139.4 60.3 -27.3 12.8 128 132 A R E -c 92 0A 80 -37,-2.7 -35,-2.5 -2,-0.2 2,-0.5 -0.636 24.6-138.7 -71.1 148.0 60.6 -27.6 16.6 129 133 A V E -cd 93 165A 0 35,-2.3 37,-3.1 -2,-0.2 2,-0.5 -0.953 14.5-166.1-115.0 122.6 58.3 -25.3 18.5 130 134 A V E -cd 94 166A 0 -37,-2.6 -35,-3.6 -2,-0.5 2,-0.5 -0.959 4.1-169.6-103.4 126.2 59.5 -23.4 21.6 131 135 A V E -cd 95 167A 4 35,-2.4 37,-2.6 -2,-0.5 2,-0.3 -0.975 11.2-146.8-113.1 122.9 56.9 -21.8 23.8 132 136 A L E - d 0 168A 3 -37,-2.2 -35,-0.3 -2,-0.5 37,-0.2 -0.620 22.3-107.9 -88.5 145.4 58.0 -19.4 26.6 133 137 A G - 0 0 4 35,-2.6 2,-0.3 -2,-0.3 37,-0.2 -0.327 37.2-102.6 -61.1 147.8 56.2 -19.1 29.9 134 138 A L - 0 0 10 14,-0.4 18,-0.1 1,-0.1 -1,-0.1 -0.600 42.5-125.8 -72.4 130.3 54.2 -15.9 30.6 135 139 A L - 0 0 20 -2,-0.3 13,-0.1 1,-0.1 -1,-0.1 -0.287 22.4 -99.2 -77.2 156.6 56.2 -13.6 32.9 136 140 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.402 45.1-172.5 -62.6 156.8 54.9 -12.1 36.2 137 141 A R + 0 0 37 5,-0.1 53,-0.2 3,-0.1 8,-0.2 -0.964 35.1 58.2-152.6 161.8 53.7 -8.6 36.0 138 142 A G S S- 0 0 24 51,-2.5 51,-0.1 -2,-0.3 4,-0.1 0.195 77.6-101.9 88.7 145.0 52.6 -5.7 38.4 139 143 A Q S S+ 0 0 88 41,-0.1 42,-1.4 49,-0.1 -1,-0.1 0.848 104.3 24.2 -67.4 -36.8 54.6 -4.2 41.2 140 144 A H S S- 0 0 103 40,-0.2 40,-0.1 1,-0.1 -3,-0.1 -0.757 108.2 -62.6-123.0 168.6 52.7 -6.2 43.8 141 145 A P + 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.206 66.2 155.5 -53.8 140.1 50.7 -9.5 44.0 142 146 A N >> - 0 0 39 -5,-0.1 4,-1.1 -4,-0.1 3,-0.8 -0.973 56.3 -92.8-162.6 166.0 47.6 -9.2 41.7 143 147 A P H 3> S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.693 117.0 61.5 -65.6 -22.7 45.2 -11.4 39.8 144 148 A L H 3> S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.812 99.7 56.7 -75.6 -28.6 47.1 -11.3 36.5 145 149 A R H <> S+ 0 0 23 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.928 110.7 43.5 -58.8 -46.6 50.1 -12.9 38.2 146 150 A E H X S+ 0 0 96 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.906 113.1 52.1 -67.7 -44.4 47.8 -15.8 39.2 147 151 A K H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.954 111.5 46.0 -49.0 -55.1 46.2 -15.9 35.7 148 152 A N H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -14,-0.4 0.879 110.8 53.3 -65.6 -39.6 49.6 -16.1 34.0 149 153 A R H X S+ 0 0 114 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.894 109.5 48.6 -52.7 -48.5 50.8 -18.8 36.4 150 154 A R H X S+ 0 0 91 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.908 109.0 53.0 -63.3 -43.1 47.7 -20.9 35.6 151 155 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.962 109.3 49.4 -52.7 -52.2 48.3 -20.4 31.8 152 156 A N H X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.878 110.6 50.6 -58.6 -39.7 51.9 -21.7 32.3 153 157 A E H X S+ 0 0 60 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.936 114.1 43.4 -59.8 -49.4 50.7 -24.7 34.2 154 158 A L H X S+ 0 0 44 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.891 115.8 47.8 -68.7 -39.2 48.1 -25.7 31.6 155 159 A V H X S+ 0 0 2 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.915 110.1 52.1 -67.8 -43.0 50.5 -25.0 28.7 156 160 A R H X S+ 0 0 113 -4,-2.5 4,-1.0 -5,-0.3 -2,-0.2 0.926 112.8 45.3 -56.3 -44.5 53.4 -27.1 30.3 157 161 A A H X S+ 0 0 77 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.850 111.5 53.1 -72.0 -33.6 51.0 -30.0 30.8 158 162 A A H < S+ 0 0 30 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.905 115.8 38.9 -63.5 -41.1 49.6 -29.7 27.3 159 163 A L H < S+ 0 0 7 -4,-2.4 6,-0.2 1,-0.2 -2,-0.2 0.610 88.3 93.3 -87.2 -10.6 53.1 -29.8 25.7 160 164 A A H < S+ 0 0 85 -4,-1.0 2,-1.2 1,-0.3 -1,-0.2 0.909 90.1 46.2 -57.8 -49.2 54.7 -32.4 28.0 161 165 A G S < S+ 0 0 69 -4,-0.5 -1,-0.3 -3,-0.3 -4,-0.0 -0.748 87.6 106.9 -85.2 84.9 53.7 -35.2 25.6 162 166 A H > - 0 0 64 -2,-1.2 3,-1.7 3,-0.2 -3,-0.0 -0.642 55.3-158.1-159.7 96.5 55.0 -33.4 22.5 163 167 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -35,-0.0 0.858 93.6 25.9 -50.8 -45.0 58.2 -34.8 21.0 164 168 A R T 3 S+ 0 0 99 -37,-0.1 -35,-2.3 -36,-0.0 2,-0.4 0.041 103.9 89.5-114.7 30.8 59.2 -31.7 19.1 165 169 A A E < -d 129 0A 6 -3,-1.7 2,-0.5 -6,-0.2 -35,-0.2 -0.990 57.9-165.6-120.3 129.5 57.4 -29.0 21.2 166 170 A H E -d 130 0A 30 -37,-3.1 -35,-2.4 -2,-0.4 2,-0.4 -0.965 11.5-153.4-122.4 117.6 59.3 -27.5 24.2 167 171 A F E -d 131 0A 45 -2,-0.5 2,-0.5 -37,-0.2 -35,-0.2 -0.753 16.5-168.1 -80.6 131.5 58.0 -25.4 27.1 168 172 A L E -d 132 0A 29 -37,-2.6 -35,-2.6 -2,-0.4 2,-1.0 -0.966 17.3-157.2-123.7 119.3 60.6 -23.0 28.6 169 173 A D + 0 0 88 -2,-0.5 -37,-0.1 -37,-0.2 -35,-0.0 -0.825 17.6 176.6 -78.5 101.7 60.2 -21.1 31.9 170 174 A A + 0 0 5 -2,-1.0 33,-0.2 -37,-0.2 -1,-0.1 0.288 36.3 120.2 -91.5 12.0 62.7 -18.3 31.3 171 175 A D - 0 0 50 1,-0.1 -2,-0.0 -37,-0.1 -37,-0.0 -0.709 44.3-167.0 -84.6 117.5 61.9 -16.5 34.6 172 176 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.370 67.7 -70.4 -74.9 0.9 65.0 -16.1 36.9 173 177 A G + 0 0 46 3,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.773 66.6 166.8 102.2 49.0 62.9 -15.1 39.9 174 178 A F + 0 0 4 7,-0.1 2,-0.6 2,-0.1 8,-0.5 0.853 62.6 75.8 -61.5 -36.0 61.6 -11.6 39.1 175 179 A V S S- 0 0 57 6,-0.1 6,-0.2 2,-0.0 2,-0.1 -0.716 78.8-150.1 -78.6 118.7 59.1 -11.7 42.0 176 180 A H > - 0 0 77 4,-2.7 3,-2.7 -2,-0.6 -2,-0.1 -0.322 29.9 -96.2 -84.1 171.4 61.0 -11.2 45.3 177 181 A S T 3 S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.742 124.3 58.1 -66.7 -21.0 60.1 -12.7 48.7 178 182 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 -38,-0.0 -2,-0.0 0.353 121.1-109.1 -84.1 8.4 58.4 -9.5 49.7 179 183 A G S < S+ 0 0 13 -3,-2.7 2,-0.2 1,-0.3 -2,-0.2 0.412 76.6 128.0 89.9 -2.2 56.1 -9.9 46.7 180 184 A T - 0 0 28 -40,-0.1 -4,-2.7 -5,-0.1 2,-0.4 -0.534 50.4-147.9 -96.8 152.4 57.6 -7.1 44.6 181 185 A I - 0 0 2 -42,-1.4 2,-0.3 -6,-0.2 -6,-0.1 -0.970 28.6-128.4-107.1 139.8 59.0 -6.8 41.1 182 186 A S >> - 0 0 29 -8,-0.5 4,-1.9 -2,-0.4 3,-1.6 -0.614 5.8-134.2 -92.3 142.3 61.8 -4.2 40.9 183 187 A H T 34 S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.703 103.5 71.8 -69.5 -14.0 61.7 -1.4 38.2 184 188 A H T 34 S+ 0 0 121 1,-0.1 12,-0.4 2,-0.1 11,-0.3 0.832 108.1 34.1 -62.2 -33.8 65.4 -2.3 37.5 185 189 A D T <4 S+ 0 0 28 -3,-1.6 8,-2.5 1,-0.3 2,-0.4 0.836 136.8 19.8 -84.8 -41.3 64.1 -5.5 35.9 186 190 A M B >< -E 192 0B 0 -4,-1.9 3,-1.6 6,-0.3 -1,-0.3 -0.935 69.6-157.2-133.1 107.8 60.9 -4.2 34.4 187 191 A Y T 3 S+ 0 0 124 4,-0.7 5,-0.1 -2,-0.4 -1,-0.1 0.780 98.3 22.9 -68.8 -28.0 60.7 -0.4 34.0 188 192 A D T 3 S- 0 0 67 3,-0.6 -1,-0.3 -50,-0.0 -50,-0.1 0.038 117.7-102.6-117.8 25.9 56.9 -0.3 34.0 189 193 A Y S < S+ 0 0 71 -3,-1.6 -51,-2.5 2,-0.3 -2,-0.1 0.704 114.9 50.4 61.1 24.4 56.5 -3.6 35.8 190 194 A L S S+ 0 0 46 1,-0.4 2,-0.3 -53,-0.2 -1,-0.1 0.409 95.0 63.0-145.3 -53.9 55.6 -5.4 32.5 191 195 A H S S- 0 0 43 1,-0.1 -4,-0.7 -5,-0.0 -3,-0.6 -0.641 84.5-117.5 -85.1 137.2 58.2 -4.6 29.9 192 196 A L B -E 186 0B 6 -2,-0.3 -6,-0.3 -6,-0.2 -7,-0.1 -0.523 19.1-138.7 -78.3 133.8 61.7 -5.8 30.5 193 197 A S > - 0 0 22 -8,-2.5 4,-2.2 -2,-0.2 5,-0.2 -0.299 38.9 -93.0 -68.7 170.6 64.7 -3.4 30.8 194 198 A R H > S+ 0 0 92 1,-0.2 4,-0.8 2,-0.2 -141,-0.1 0.930 131.0 49.0 -46.1 -52.4 68.0 -4.2 29.3 195 199 A L H >4 S+ 0 0 104 -11,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.875 108.8 52.4 -56.9 -43.9 69.1 -5.8 32.6 196 200 A G H 3> S+ 0 0 0 -12,-0.4 4,-0.8 -11,-0.3 -1,-0.2 0.862 106.1 55.1 -63.4 -34.9 65.9 -7.9 32.8 197 201 A Y H 3X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.706 90.4 75.7 -69.4 -20.8 66.4 -9.3 29.2 198 202 A T H S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.794 116.5 54.7 -75.0 -29.9 69.0 -13.7 31.9 200 204 A V H X S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.967 113.2 41.1 -60.9 -53.5 65.8 -14.4 29.8 201 205 A C H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.874 111.0 58.0 -67.0 -40.6 67.8 -14.4 26.6 202 206 A R H X S+ 0 0 134 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.953 108.7 45.5 -47.9 -55.4 70.6 -16.4 28.2 203 207 A A H X S+ 0 0 36 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.913 115.8 46.7 -59.9 -41.8 68.1 -19.2 29.1 204 208 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.931 110.2 51.9 -65.6 -46.8 66.6 -19.1 25.6 205 209 A H H X S+ 0 0 52 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.899 108.2 52.2 -60.0 -42.9 69.9 -19.1 23.7 206 210 A S H X S+ 0 0 80 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.959 111.1 46.2 -58.1 -53.1 71.1 -22.1 25.7 207 211 A L H X S+ 0 0 20 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.946 112.1 52.3 -54.1 -47.1 67.9 -24.1 24.8 208 212 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.921 108.9 48.4 -57.7 -47.6 68.2 -23.0 21.2 209 213 A L H < S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.933 110.9 52.3 -61.2 -44.4 71.9 -24.2 20.9 210 214 A R H < S+ 0 0 174 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.6 41.1 -52.7 -49.8 70.9 -27.5 22.5 211 215 A L H < 0 0 19 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.866 360.0 360.0 -67.4 -38.3 68.1 -28.1 20.0 212 216 A L < 0 0 77 -4,-2.7 -120,-0.0 -5,-0.2 0, 0.0 -0.329 360.0 360.0 -73.7 360.0 70.1 -26.8 17.0