==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC BIOSYNTHESIS 11-APR-01 1HB2 . COMPND 2 MOLECULE: ISOPENICILLIN N SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS; . AUTHOR J.M.OGLE,I.J.CLIFTON,P.J.RUTLEDGE,J.M.ELKINS,N.I.BURZLAFF, . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 16.4 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 1 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 3 A S 0 0 177 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.6 -14.0 47.1 -1.2 2 4 A V - 0 0 56 234,-0.0 236,-0.1 236,-0.0 2,-0.1 -0.907 360.0-124.5-110.4 133.7 -10.7 46.2 -2.8 3 5 A S - 0 0 82 -2,-0.4 236,-2.1 234,-0.4 2,-0.4 -0.396 30.9-104.4 -74.6 155.3 -10.2 45.1 -6.5 4 6 A K B -a 239 0A 152 234,-0.2 236,-0.2 -2,-0.1 2,-0.1 -0.664 34.5-123.7 -81.8 131.8 -8.5 41.8 -7.3 5 7 A A - 0 0 0 234,-2.7 2,-0.8 -2,-0.4 236,-0.3 -0.466 24.6-109.7 -72.5 145.0 -5.0 42.2 -8.6 6 8 A N + 0 0 97 -2,-0.1 33,-0.4 234,-0.1 31,-0.3 -0.651 49.1 163.8 -77.0 107.7 -4.1 40.6 -12.0 7 9 A V - 0 0 5 -2,-0.8 33,-0.2 31,-0.1 -1,-0.1 -0.823 23.6-153.6-128.9 90.9 -1.9 37.7 -11.1 8 10 A P - 0 0 41 0, 0.0 33,-2.9 0, 0.0 2,-0.6 -0.289 13.6-125.7 -68.3 153.1 -1.7 35.3 -14.0 9 11 A K E -f 41 0B 92 31,-0.2 2,-0.5 33,-0.1 33,-0.2 -0.890 29.5-165.7 -97.4 118.0 -1.0 31.6 -13.6 10 12 A I E -f 42 0B 1 31,-3.0 33,-2.4 -2,-0.6 2,-0.8 -0.954 19.7-135.5-112.2 122.0 2.1 30.7 -15.8 11 13 A D E -f 43 0B 68 -2,-0.5 33,-0.2 31,-0.2 31,-0.1 -0.672 25.0-178.9 -74.5 108.1 2.9 27.0 -16.7 12 14 A V > + 0 0 0 31,-2.1 3,-1.8 -2,-0.8 4,-0.3 0.455 48.4 107.6 -95.0 6.7 6.7 27.1 -16.1 13 15 A S G > + 0 0 53 30,-0.4 3,-2.1 1,-0.3 4,-0.4 0.850 69.3 63.0 -56.6 -35.3 7.4 23.5 -17.1 14 16 A P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 5,-0.3 0.809 90.1 70.4 -60.9 -22.5 9.1 24.3 -20.4 15 17 A L G < S+ 0 0 1 -3,-1.8 -2,-0.2 1,-0.3 141,-0.1 0.650 95.4 53.3 -69.9 -11.8 11.8 26.1 -18.4 16 18 A F G < S+ 0 0 108 -3,-2.1 -1,-0.3 -4,-0.3 -3,-0.1 0.530 109.2 60.6 -93.5 -10.7 13.0 22.7 -17.2 17 19 A G S < S- 0 0 32 -3,-1.7 6,-0.0 -4,-0.4 0, 0.0 -0.131 86.7-106.5-107.0-162.2 13.3 21.3 -20.8 18 20 A D S S+ 0 0 145 -2,-0.1 2,-1.1 5,-0.0 -3,-0.1 0.154 72.8 114.8-117.5 19.0 15.1 21.8 -24.2 19 21 A D > - 0 0 94 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.772 43.4-172.7 -90.7 95.8 12.3 23.3 -26.4 20 22 A Q H > S+ 0 0 101 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.867 80.9 51.4 -60.9 -41.9 13.7 26.8 -27.0 21 23 A A H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 110.6 49.5 -60.5 -43.4 10.6 28.2 -28.8 22 24 A A H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.888 108.4 53.8 -63.8 -39.6 8.4 27.0 -25.9 23 25 A K H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.897 105.8 53.4 -63.8 -37.8 10.7 28.7 -23.4 24 26 A M H X S+ 0 0 107 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.898 105.7 53.0 -64.0 -37.5 10.4 32.0 -25.3 25 27 A R H X S+ 0 0 152 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.885 110.8 47.2 -66.2 -33.1 6.6 31.8 -25.0 26 28 A V H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 3,-0.3 0.937 109.6 54.3 -69.2 -43.0 7.0 31.3 -21.2 27 29 A A H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.893 103.9 55.1 -58.7 -37.4 9.5 34.3 -21.1 28 30 A Q H X S+ 0 0 115 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.896 107.1 50.2 -62.2 -41.4 6.9 36.5 -22.8 29 31 A Q H X S+ 0 0 74 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.897 110.9 48.8 -62.3 -40.6 4.4 35.7 -20.1 30 32 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.922 110.9 51.6 -63.9 -42.5 7.0 36.5 -17.4 31 33 A D H X S+ 0 0 16 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.950 110.7 47.4 -58.5 -48.9 7.7 39.8 -19.2 32 34 A A H X S+ 0 0 41 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.925 114.4 45.6 -60.3 -47.0 4.0 40.8 -19.3 33 35 A A H ><>S+ 0 0 5 -4,-2.4 5,-2.4 1,-0.2 3,-0.6 0.930 112.0 52.0 -65.5 -37.3 3.4 40.0 -15.6 34 36 A S H 3<5S+ 0 0 9 -4,-2.7 230,-0.5 1,-0.3 -1,-0.2 0.795 111.7 46.8 -68.4 -30.1 6.6 41.8 -14.6 35 37 A R H 3<5S+ 0 0 154 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.577 118.5 43.4 -85.5 -15.6 5.5 44.9 -16.5 36 38 A D T <<5S- 0 0 98 -4,-1.0 -3,-0.1 -3,-0.6 -2,-0.1 0.561 134.5 -20.7 -97.7-110.3 2.0 44.8 -15.1 37 39 A T T 5S- 0 0 11 -31,-0.3 -3,-0.1 2,-0.2 -4,-0.1 0.703 82.1-122.0 -75.7 -22.1 1.3 44.1 -11.3 38 40 A G S + 0 0 97 -2,-0.4 4,-1.8 1,-0.2 -1,-0.0 -0.606 36.4 169.4 -81.4 88.2 5.4 18.7 -3.6 49 51 A V H > S+ 0 0 15 -2,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.799 70.7 61.0 -75.4 -26.6 4.0 21.6 -1.6 50 52 A Q H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 107.7 45.1 -64.8 -42.3 1.5 19.6 0.4 51 53 A R H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.922 110.6 54.4 -66.9 -41.3 4.4 17.6 1.9 52 54 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.943 110.5 46.7 -53.3 -48.7 6.3 20.8 2.5 53 55 A S H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 112.3 49.8 -64.2 -37.6 3.3 22.2 4.4 54 56 A Q H X S+ 0 0 69 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.923 112.6 45.6 -67.5 -45.3 2.8 19.0 6.5 55 57 A K H X S+ 0 0 66 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.899 114.0 49.9 -65.1 -39.4 6.5 18.8 7.5 56 58 A T H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.910 110.0 50.6 -65.6 -41.4 6.5 22.5 8.4 57 59 A K H X S+ 0 0 93 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.931 107.1 53.8 -63.1 -42.8 3.3 22.1 10.5 58 60 A E H X S+ 0 0 91 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.913 113.0 44.8 -59.1 -40.7 4.8 19.1 12.4 59 61 A F H >X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 3,-1.0 0.955 113.8 46.9 -64.6 -54.2 7.8 21.3 13.3 60 62 A H H 3< S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.834 114.2 46.9 -60.7 -36.0 5.9 24.5 14.3 61 63 A M H 3< S+ 0 0 110 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.561 117.4 41.0 -87.6 -6.3 3.4 22.7 16.5 62 64 A S H << S+ 0 0 59 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.1 0.658 83.7 105.4-111.9 -22.5 5.9 20.5 18.4 63 65 A I < - 0 0 12 -4,-2.1 70,-0.0 -5,-0.1 -4,-0.0 -0.303 61.8-143.3 -60.6 141.4 8.8 23.0 19.0 64 66 A T > - 0 0 53 1,-0.1 4,-2.1 0, 0.0 3,-0.1 -0.668 23.3-107.5-105.4 163.2 8.9 24.1 22.7 65 67 A P H > S+ 0 0 95 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.893 120.4 55.5 -55.2 -39.5 9.7 27.4 24.5 66 68 A E H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.948 108.7 46.8 -58.8 -48.2 13.0 25.8 25.7 67 69 A E H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 106.8 58.2 -63.9 -37.3 14.0 24.9 22.1 68 70 A K H X S+ 0 0 29 -4,-2.1 4,-0.8 2,-0.2 3,-0.3 0.933 108.2 45.2 -61.4 -43.9 13.1 28.4 20.8 69 71 A W H >< S+ 0 0 134 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.935 111.9 53.4 -62.9 -40.7 15.5 30.1 23.3 70 72 A D H 3< S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.780 118.4 35.0 -68.3 -20.7 18.2 27.5 22.4 71 73 A L H 3< S+ 0 0 12 -4,-1.5 17,-2.2 -3,-0.3 -1,-0.3 0.385 91.3 134.1-108.4 1.5 17.9 28.2 18.6 72 74 A A B << -h 88 0B 0 -3,-0.8 17,-0.2 -4,-0.8 11,-0.1 -0.194 55.5-120.2 -63.8 143.1 17.2 32.0 18.9 73 75 A I >> - 0 0 2 15,-2.2 3,-1.9 12,-0.1 4,-1.7 -0.259 39.8 -96.3 -67.3 167.6 18.8 34.7 16.8 74 76 A R T 34 S+ 0 0 109 9,-3.1 10,-0.1 6,-0.4 -1,-0.1 0.761 119.2 70.9 -63.9 -23.1 20.8 37.4 18.6 75 77 A A T 34 S+ 0 0 58 8,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.793 115.4 26.3 -62.1 -27.2 17.9 39.8 18.6 76 78 A Y T <4 S+ 0 0 45 -3,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.610 130.1 38.0-107.6 -21.1 16.3 37.5 21.2 77 79 A N >< - 0 0 23 -4,-1.7 3,-1.9 3,-0.1 -1,-0.2 -0.881 58.9-163.1-139.9 108.0 19.3 35.8 22.8 78 80 A K T 3 S+ 0 0 180 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.676 87.5 70.4 -64.9 -16.9 22.5 37.8 23.5 79 81 A E T 3 S+ 0 0 171 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.666 89.6 66.4 -70.2 -20.5 24.5 34.5 24.0 80 82 A H X + 0 0 40 -3,-1.9 3,-1.8 1,-0.2 -6,-0.4 -0.392 55.1 154.5-103.7 62.7 24.1 33.9 20.2 81 83 A Q T 3 S+ 0 0 99 -2,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.731 70.7 57.8 -63.2 -21.5 26.2 36.7 18.6 82 84 A D T 3 S+ 0 0 130 -3,-0.2 2,-1.1 1,-0.1 3,-0.3 0.602 88.7 85.1 -82.0 -13.5 27.0 34.7 15.4 83 85 A Q < + 0 0 21 -3,-1.8 -9,-3.1 1,-0.2 -8,-0.3 -0.701 39.9 134.3 -94.8 89.5 23.2 34.2 14.6 84 86 A V S S+ 0 0 73 -2,-1.1 -1,-0.2 -11,-0.2 -9,-0.2 0.868 87.0 9.1 -94.9 -46.4 22.0 37.4 12.8 85 87 A R S S+ 0 0 15 -3,-0.3 2,-0.4 1,-0.1 17,-0.1 0.849 115.3 68.7-100.6 -50.3 20.0 35.6 10.0 86 88 A A S S+ 0 0 1 15,-0.1 2,-0.3 -14,-0.1 17,-0.2 -0.667 80.7 37.7 -89.2 132.4 19.7 31.9 10.8 87 89 A G E S- I 0 102B 0 15,-2.0 15,-2.5 -2,-0.4 2,-0.4 -0.904 91.0 -22.3 135.1-163.0 17.7 30.5 13.7 88 90 A Y E -hI 72 101B 1 -17,-2.2 -15,-2.2 -2,-0.3 2,-0.6 -0.692 39.4-159.2 -92.5 135.7 14.4 31.1 15.6 89 91 A Y E - I 0 100B 27 11,-3.1 11,-2.0 -2,-0.4 2,-0.1 -0.958 27.0-140.9-112.4 103.7 12.6 34.4 15.6 90 92 A L - 0 0 17 -2,-0.6 2,-0.2 9,-0.2 8,-0.1 -0.339 1.4-129.8 -75.6 152.0 10.3 34.3 18.7 91 93 A S - 0 0 29 6,-0.1 6,-0.2 -2,-0.1 8,-0.1 -0.446 14.2-141.1 -82.4 166.5 6.8 35.6 19.2 92 94 A I B >> -O 96 0C 81 4,-2.4 4,-3.1 -2,-0.2 3,-2.8 -0.863 23.4-129.5-132.9 90.5 6.0 37.9 22.2 93 95 A P T 34 S+ 0 0 119 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.182 93.7 17.4 -47.3 130.7 2.6 36.9 23.5 94 96 A G T 34 S+ 0 0 44 1,-0.1 102,-0.3 100,-0.0 103,-0.1 0.263 136.4 40.0 88.7 -10.8 0.4 40.0 23.9 95 97 A K T <4 S+ 0 0 139 -3,-2.8 2,-0.4 1,-0.3 -1,-0.1 0.613 115.6 27.3-134.2 -42.7 2.7 42.1 21.6 96 98 A K B < -O 92 0C 30 -4,-3.1 -4,-2.4 1,-0.1 -1,-0.3 -0.976 53.0-176.4-136.3 118.9 4.0 40.2 18.5 97 99 A A + 0 0 9 -2,-0.4 -1,-0.1 100,-0.3 -6,-0.1 0.891 56.0 82.2 -87.3 -39.8 2.1 37.3 17.0 98 100 A V + 0 0 28 99,-0.1 2,-0.3 110,-0.1 89,-0.2 -0.284 49.7 176.0 -71.4 149.9 4.3 36.0 14.2 99 101 A E E + J 0 186B 9 87,-1.8 87,-3.1 -8,-0.1 2,-0.3 -0.976 6.3 171.5-145.6 155.1 7.2 33.6 14.8 100 102 A S E -IJ 89 185B 4 -11,-2.0 -11,-3.1 -2,-0.3 2,-0.4 -0.982 29.6-131.9-159.5 170.1 9.6 31.9 12.3 101 103 A F E -IJ 88 184B 0 83,-1.5 83,-3.0 -2,-0.3 2,-0.4 -0.993 24.1-164.2-131.7 124.2 12.7 29.8 11.7 102 104 A C E +IJ 87 183B 5 -15,-2.5 -15,-2.0 -2,-0.4 2,-0.3 -0.885 8.3 178.7-112.6 138.9 15.2 30.8 9.0 103 105 A Y E - J 0 182B 2 79,-2.3 79,-2.6 -2,-0.4 2,-0.1 -0.977 9.2-155.7-137.8 153.3 17.9 28.7 7.4 104 106 A L - 0 0 0 -2,-0.3 77,-0.2 77,-0.2 75,-0.1 -0.332 51.5 -32.8-110.2-171.0 20.6 29.4 4.7 105 107 A N > - 0 0 1 75,-0.5 3,-2.3 73,-0.4 20,-0.3 -0.260 49.2-141.8 -49.5 125.6 22.6 27.4 2.2 106 108 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 35,-0.0 0.747 99.0 69.0 -64.1 -18.6 23.3 23.9 3.7 107 109 A N T 3 + 0 0 56 68,-0.3 2,-2.0 1,-0.1 -2,-0.1 0.570 69.8 98.6 -77.7 -6.5 26.8 24.2 2.1 108 110 A F < + 0 0 3 -3,-2.3 17,-0.5 15,-0.1 -1,-0.1 -0.576 58.6 157.5 -79.8 80.8 27.7 26.9 4.6 109 111 A T > - 0 0 52 -2,-2.0 3,-2.1 15,-0.1 6,-0.2 -0.540 60.9 -92.0 -98.2 171.3 29.6 24.5 6.9 110 112 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.833 127.1 48.6 -56.0 -32.1 32.3 25.2 9.4 111 113 A D T 3 S+ 0 0 127 4,-0.1 -3,-0.1 5,-0.1 0, 0.0 0.426 80.5 120.4 -88.5 -3.2 35.0 24.6 6.8 112 114 A H S X> S- 0 0 23 -3,-2.1 4,-2.7 1,-0.1 3,-0.7 -0.436 71.0-124.7 -64.0 139.2 33.4 26.8 4.0 113 115 A P H 3> S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.806 109.9 49.5 -56.8 -33.4 35.8 29.6 3.0 114 116 A R H 34>S+ 0 0 62 2,-0.2 5,-2.2 1,-0.2 4,-0.4 0.791 111.0 49.6 -77.1 -28.0 33.3 32.4 3.6 115 117 A I H X45S+ 0 0 27 -3,-0.7 3,-0.8 -6,-0.2 -1,-0.2 0.925 110.7 50.5 -73.3 -41.1 32.5 31.0 7.1 116 118 A Q H 3<5S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.913 112.3 46.5 -62.9 -40.6 36.2 30.8 7.9 117 119 A A T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.604 106.7-130.2 -75.5 -12.5 36.7 34.4 6.8 118 120 A K T < 5 - 0 0 163 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.859 37.4-175.6 63.3 40.0 33.6 35.4 8.9 119 121 A T > < - 0 0 15 -5,-2.2 3,-1.6 -6,-0.1 -1,-0.2 -0.451 32.6 -98.7 -68.7 133.0 32.2 37.3 5.8 120 122 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 196,-0.1 -0.144 105.2 24.2 -52.0 147.2 28.9 39.2 6.7 121 123 A T T 3 S+ 0 0 18 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.227 97.2 104.7 77.7 -6.1 25.6 37.4 5.7 122 124 A H < + 0 0 15 -3,-1.6 2,-0.3 -8,-0.2 -1,-0.2 -0.887 43.5 159.0-103.2 127.9 27.2 33.9 5.8 123 125 A E - 0 0 18 -2,-0.5 2,-0.5 -18,-0.1 -15,-0.1 -0.978 43.4-111.9-143.5 154.9 26.3 31.7 8.8 124 126 A V - 0 0 64 -2,-0.3 -15,-0.1 -42,-0.1 -38,-0.1 -0.771 46.6-111.5 -86.3 126.3 26.2 28.0 9.7 125 127 A N - 0 0 17 -2,-0.5 2,-0.3 -17,-0.5 -22,-0.1 -0.224 23.3-141.9 -57.2 149.0 22.6 26.8 10.2 126 128 A V - 0 0 36 -55,-0.1 -39,-0.1 0, 0.0 -55,-0.1 -0.863 20.2-170.0-111.6 141.4 21.3 25.9 13.6 127 129 A W - 0 0 43 -2,-0.3 3,-0.1 -24,-0.0 -24,-0.0 -0.969 23.3-110.1-132.1 150.5 18.9 22.9 14.0 128 130 A P - 0 0 14 0, 0.0 9,-0.1 0, 0.0 2,-0.1 -0.211 59.6 -68.9 -69.6 169.8 16.7 21.4 16.8 129 131 A D > - 0 0 75 1,-0.1 4,-1.7 2,-0.0 3,-0.4 -0.398 40.0-135.1 -62.5 132.6 17.6 18.0 18.3 130 132 A E T 4 S+ 0 0 89 1,-0.2 6,-0.2 2,-0.2 -1,-0.1 0.866 103.2 54.3 -59.3 -39.2 17.2 15.1 15.9 131 133 A T T 4 S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.870 112.1 44.2 -66.5 -32.2 15.4 12.9 18.5 132 134 A K T 4 S+ 0 0 119 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 128.4 28.1 -79.7 -28.6 12.8 15.6 19.2 133 135 A H S >< S- 0 0 11 -4,-1.7 3,-2.0 -5,-0.1 4,-0.5 -0.525 85.1-161.2-130.8 64.7 12.3 16.5 15.5 134 136 A P T 3 S- 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.261 73.8 -1.0 -56.2 128.6 13.0 13.3 13.5 135 137 A G T 3> S+ 0 0 32 -5,-0.1 4,-2.5 1,-0.1 5,-0.2 0.305 97.6 114.6 78.9 -8.5 13.7 13.9 9.8 136 138 A F H <> S+ 0 0 14 -3,-2.0 4,-2.9 2,-0.2 5,-0.2 0.942 75.4 45.1 -63.7 -53.2 13.2 17.6 10.0 137 139 A Q H > S+ 0 0 61 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.922 115.6 48.3 -56.9 -46.0 16.7 18.8 9.2 138 140 A D H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 113.9 46.7 -62.2 -42.5 17.0 16.3 6.3 139 141 A F H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 113.2 48.7 -61.6 -47.6 13.6 17.4 4.9 140 142 A A H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.885 111.3 49.0 -64.4 -39.3 14.4 21.1 5.2 141 143 A E H X S+ 0 0 47 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.927 112.1 48.6 -66.5 -41.2 17.8 20.7 3.5 142 144 A Q H X S+ 0 0 108 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.900 108.1 55.5 -65.2 -35.5 16.3 18.7 0.6 143 145 A Y H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.927 101.8 57.6 -63.3 -41.2 13.6 21.4 0.3 144 146 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.927 110.2 43.7 -52.2 -48.0 16.3 24.1 -0.1 145 147 A W H X S+ 0 0 69 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.875 111.3 53.4 -71.3 -30.6 17.6 22.2 -3.1 146 148 A D H X S+ 0 0 73 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.949 114.6 40.7 -66.1 -45.3 14.1 21.5 -4.6 147 149 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.843 110.6 58.3 -76.3 -28.6 13.2 25.3 -4.5 148 150 A F H X S+ 0 0 19 -4,-2.2 4,-2.4 -5,-0.4 -1,-0.2 0.933 106.5 50.2 -58.9 -44.9 16.8 26.2 -5.7 149 151 A G H X S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.925 111.6 46.2 -61.6 -44.4 16.1 24.0 -8.8 150 152 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.936 112.2 51.8 -63.3 -44.4 12.7 25.8 -9.4 151 153 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.870 106.2 53.7 -62.3 -38.9 14.3 29.2 -8.9 152 154 A S H X S+ 0 0 21 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.916 110.2 47.7 -60.3 -43.8 17.1 28.4 -11.4 153 155 A A H X S+ 0 0 4 -4,-1.9 4,-1.7 2,-0.2 3,-0.4 0.928 111.3 50.5 -63.3 -43.5 14.5 27.5 -14.0 154 156 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 106.5 55.3 -61.8 -40.5 12.6 30.8 -13.2 155 157 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 14,-0.3 0.821 103.2 55.2 -63.3 -30.7 15.8 32.8 -13.6 156 158 A K H X S+ 0 0 55 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.907 108.5 49.5 -65.7 -38.9 16.3 31.3 -17.2 157 159 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.924 111.0 48.0 -66.0 -42.9 12.8 32.6 -18.0 158 160 A Y H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.908 111.2 51.4 -63.8 -40.8 13.6 36.1 -16.6 159 161 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 7,-0.3 3,-0.5 0.950 112.5 44.7 -60.5 -50.8 16.9 36.2 -18.6 160 162 A L H ><5S+ 0 0 28 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.888 109.4 57.4 -60.3 -39.2 15.1 35.3 -21.9 161 163 A A H 3<5S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 105.5 51.0 -60.6 -32.7 12.3 37.8 -21.1 162 164 A L T 3<5S- 0 0 11 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.272 123.7-101.1 -90.7 8.7 15.0 40.6 -20.9 163 165 A G T < 5S+ 0 0 70 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.654 84.5 121.0 81.8 18.7 16.6 39.8 -24.3 164 166 A K S - 0 0 99 -2,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.471 50.0-105.8 -72.1 153.9 20.9 34.3 -23.0 166 168 A E T 3 S+ 0 0 40 1,-0.3 4,-0.5 2,-0.1 3,-0.4 0.705 116.4 54.7 -62.9 -21.5 19.2 31.9 -20.5 167 169 A N T 3> S+ 0 0 65 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.298 72.9 111.6 -91.6 12.7 22.2 31.7 -18.1 168 170 A F T <4 S+ 0 0 23 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.858 96.5 14.5 -52.4 -44.5 22.4 35.5 -17.6 169 171 A F T >4 S+ 0 0 0 -3,-0.4 3,-2.3 -14,-0.3 -1,-0.2 0.826 122.8 63.3 -94.9 -43.3 21.2 35.4 -13.9 170 172 A A G >4 S+ 0 0 13 -4,-0.5 3,-1.8 1,-0.3 -2,-0.2 0.755 89.3 67.6 -59.2 -28.3 21.6 31.6 -13.3 171 173 A R G 3< S+ 0 0 117 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.716 104.6 45.8 -65.2 -17.7 25.4 31.6 -13.8 172 174 A H G < S+ 0 0 41 -3,-2.3 115,-0.8 -5,-0.2 2,-0.7 0.290 97.7 79.4-100.8 0.5 25.6 33.7 -10.5 173 175 A F < + 0 0 4 -3,-1.8 -1,-0.1 -4,-0.2 113,-0.1 -0.896 65.8 159.4-114.2 92.3 23.2 31.5 -8.6 174 176 A K >> - 0 0 105 -2,-0.7 4,-2.3 1,-0.1 3,-1.3 -0.931 49.4-126.0-124.3 145.8 25.3 28.5 -7.6 175 177 A P T 34 S+ 0 0 51 0, 0.0 -68,-0.3 0, 0.0 -1,-0.1 0.824 105.8 57.5 -58.0 -34.9 25.0 25.8 -4.9 176 178 A D T 34 S+ 0 0 116 1,-0.2 -3,-0.0 -69,-0.0 -71,-0.0 0.725 125.7 10.4 -73.0 -20.0 28.4 26.5 -3.4 177 179 A D T <4 S+ 0 0 64 -3,-1.3 111,-0.4 -69,-0.0 -1,-0.2 0.486 78.3 138.2-141.2 3.4 27.8 30.1 -2.6 178 180 A T < - 0 0 0 -4,-2.3 -73,-0.4 1,-0.1 109,-0.2 -0.234 40.3-151.9 -56.7 140.2 24.2 31.3 -2.9 179 181 A L + 0 0 0 107,-2.0 107,-0.2 106,-0.1 -1,-0.1 0.252 49.8 138.0 -92.3 11.0 23.1 33.7 -0.1 180 182 A A - 0 0 0 105,-0.6 -75,-0.5 -76,-0.1 2,-0.3 -0.185 36.4-157.8 -59.9 146.8 19.4 32.5 -0.6 181 183 A S E - K 0 283B 6 102,-1.2 102,-2.4 -77,-0.2 2,-0.4 -0.943 14.2-147.4-130.3 150.6 17.3 31.8 2.5 182 184 A V E -JK 103 282B 0 -79,-2.6 -79,-2.3 -2,-0.3 2,-0.5 -0.946 15.4-164.6-107.6 137.1 14.3 29.8 3.4 183 185 A V E -J 102 0B 18 98,-2.1 2,-0.9 -2,-0.4 -81,-0.2 -0.990 9.2-158.0-124.3 124.6 11.9 31.2 6.1 184 186 A L E -J 101 0B 3 -83,-3.0 -83,-1.5 -2,-0.5 2,-0.4 -0.860 23.7-169.8 -99.9 93.8 9.3 28.9 7.8 185 187 A I E -JL 100 279B 26 94,-2.2 94,-1.9 -2,-0.9 2,-0.5 -0.788 13.3-160.7 -96.4 132.1 6.8 31.5 9.1 186 188 A R E -JL 99 278B 43 -87,-3.1 -87,-1.8 -2,-0.4 92,-0.2 -0.954 3.5-170.8-108.8 120.7 3.9 30.7 11.5 187 189 A Y E - L 0 277B 25 90,-2.4 90,-2.8 -2,-0.5 2,-0.1 -0.971 25.4-143.7-104.7 119.4 1.0 33.2 11.7 188 190 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 87,-0.4 -0.450 13.0-125.6 -87.4 158.1 -1.2 32.1 14.7 189 191 A Y - 0 0 126 85,-0.2 2,-0.4 -2,-0.1 85,-0.1 -0.843 38.7-175.2 -88.8 129.8 -4.9 32.0 15.4 190 192 A L - 0 0 58 -2,-0.5 3,-0.2 4,-0.0 -93,-0.0 -0.997 20.9-142.2-134.0 136.1 -5.3 34.0 18.7 191 193 A D S S+ 0 0 130 -2,-0.4 2,-0.1 1,-0.3 -2,-0.0 -0.935 101.9 23.2-131.6 72.2 -8.5 34.5 20.9 192 194 A P S S- 0 0 115 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.630 94.7-149.0-105.2 146.8 -8.2 37.4 22.0 193 195 A Y - 0 0 25 -3,-0.2 2,-0.2 -2,-0.1 5,-0.1 -0.847 24.7-117.8 -89.1 118.8 -5.9 38.8 19.3 194 196 A P > - 0 0 29 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.385 10.7-145.0 -61.2 126.8 -3.7 41.4 20.9 195 197 A E G > S+ 0 0 131 1,-0.3 3,-1.9 -2,-0.2 -100,-0.1 0.842 98.3 67.0 -60.6 -31.4 -4.2 44.9 19.4 196 198 A A G 3 S+ 0 0 65 -102,-0.3 -1,-0.3 1,-0.3 -101,-0.1 0.790 97.7 54.2 -60.9 -23.8 -0.5 45.6 20.0 197 199 A A G < S+ 0 0 13 -3,-1.7 2,-0.5 -103,-0.1 -1,-0.3 0.395 96.5 81.0 -90.8 3.3 0.3 42.9 17.4 198 200 A I < - 0 0 16 -3,-1.9 2,-0.2 -4,-0.2 10,-0.2 -0.949 64.7-158.8-112.9 126.7 -1.9 44.6 14.7 199 201 A K E -B 207 0A 81 8,-2.8 8,-2.8 -2,-0.5 2,-0.5 -0.619 10.1-138.3 -99.1 161.5 -0.6 47.5 12.7 200 202 A T E -B 206 0A 96 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.982 10.8-141.8-126.1 123.8 -2.9 50.0 10.9 201 203 A A > - 0 0 7 4,-2.8 3,-2.2 -2,-0.5 9,-0.0 -0.301 32.6-103.7 -74.2 167.3 -2.2 51.4 7.4 202 204 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.841 124.6 53.6 -59.8 -33.1 -2.9 55.0 6.4 203 205 A D T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.365 124.3-104.4 -82.1 3.7 -6.0 53.8 4.5 204 206 A G S < S+ 0 0 47 -3,-2.2 2,-0.1 1,-0.3 -2,-0.1 0.286 71.0 146.6 93.1 -7.3 -7.3 52.0 7.7 205 207 A T - 0 0 31 -5,-0.1 -4,-2.8 1,-0.1 2,-0.4 -0.395 50.4-124.4 -66.8 131.7 -6.4 48.4 6.6 206 208 A K E -B 200 0A 99 -6,-0.2 66,-2.3 66,-0.1 2,-0.3 -0.643 38.5-172.6 -77.5 129.8 -5.3 46.2 9.5 207 209 A L E -BC 199 271A 0 -8,-2.8 -8,-2.8 -2,-0.4 64,-0.3 -0.896 40.2-162.4-126.5 156.6 -1.9 44.7 8.8 208 210 A S E S+ 0 0 16 62,-2.9 2,-0.3 1,-0.4 63,-0.2 0.640 94.3 19.0-100.3 -26.2 0.6 42.1 10.1 209 211 A F E S- C 0 270A 27 61,-1.8 61,-2.2 -10,-0.1 -1,-0.4 -0.974 83.1-125.3-149.3 130.1 3.5 43.7 8.1 210 212 A E E - 0 0 45 -2,-0.3 58,-0.1 116,-0.2 116,-0.1 -0.059 44.5 -64.2 -71.9 172.7 3.7 47.1 6.5 211 213 A W E + 0 0 118 58,-0.1 2,-0.3 56,-0.1 58,-0.2 -0.185 67.7 143.2 -56.2 143.3 4.5 48.2 2.9 212 214 A H E - C 0 268A 14 56,-1.6 56,-2.2 -3,-0.1 2,-0.4 -0.981 47.6-117.2-169.0 167.2 7.9 47.3 1.5 213 215 A E - 0 0 80 -2,-0.3 2,-0.1 54,-0.2 54,-0.1 -0.891 48.0-102.6-107.5 146.0 9.9 46.2 -1.6 214 216 A D - 0 0 9 37,-0.4 39,-2.8 52,-0.4 2,-1.1 -0.420 14.9-133.0 -74.1 147.0 11.6 42.8 -1.2 215 217 A V S S+ 0 0 16 37,-0.2 2,-0.3 -2,-0.1 3,-0.1 -0.829 75.5 80.1 -94.5 90.8 15.4 42.4 -0.5 216 218 A S S S- 0 0 0 -2,-1.1 38,-1.9 1,-0.1 39,-0.7 -0.955 84.4-113.9-174.4 169.7 16.0 39.8 -3.2 217 219 A L S S- 0 0 0 67,-2.7 35,-2.4 1,-0.6 38,-0.4 0.870 105.5 -15.7 -79.1 -58.1 16.6 39.2 -6.9 218 220 A I E -MN 251 284B 0 66,-0.8 66,-2.4 33,-0.3 -1,-0.6 -0.935 68.4-135.2-137.4 160.1 13.3 37.4 -7.0 219 221 A T E -MN 250 283B 4 31,-2.6 31,-1.5 -2,-0.3 2,-0.5 -0.981 11.3-163.6-120.0 130.5 11.1 35.9 -4.2 220 222 A V E -MN 249 282B 0 62,-2.6 62,-1.5 -2,-0.4 2,-0.5 -0.938 20.9-173.1-121.7 102.8 9.5 32.4 -4.6 221 223 A L E -MN 248 281B 17 27,-2.8 27,-2.9 -2,-0.5 2,-0.4 -0.871 24.6-170.1-117.7 130.4 6.7 31.9 -2.1 222 224 A Y E + N 0 280B 8 58,-1.6 58,-3.2 -2,-0.5 2,-0.3 -0.933 22.9 171.5-104.2 135.1 4.5 29.1 -0.9 223 225 A Q E - N 0 279B 18 -2,-0.4 56,-0.2 23,-0.4 20,-0.2 -0.982 35.8 -98.3-139.9 155.5 1.6 30.1 1.4 224 226 A S - 0 0 21 54,-2.1 2,-2.2 -2,-0.3 19,-0.2 -0.158 51.7 -92.3 -59.2 165.7 -1.5 28.5 2.9 225 227 A N S S+ 0 0 104 17,-0.1 2,-0.4 19,-0.1 -1,-0.1 -0.357 90.3 112.4 -84.5 60.8 -4.9 29.1 1.1 226 228 A V S S- 0 0 43 -2,-2.2 17,-0.1 15,-0.0 2,-0.1 -0.961 70.0-123.8-133.1 113.7 -5.8 32.1 3.2 227 229 A Q + 0 0 56 -2,-0.4 14,-0.1 1,-0.2 -2,-0.1 -0.383 56.8 128.7 -61.9 135.2 -5.9 35.5 1.3 228 230 A N + 0 0 2 12,-0.5 43,-2.8 1,-0.1 2,-0.2 0.482 34.2 95.9-157.2 -27.7 -3.7 38.1 2.9 229 231 A L E -D 270 0A 11 11,-0.4 11,-2.6 41,-0.2 2,-0.4 -0.504 43.9-169.7 -82.4 146.6 -1.2 39.8 0.4 230 232 A Q E -DE 269 239A 2 39,-2.2 39,-2.1 9,-0.2 2,-0.4 -0.995 6.6-155.1-131.2 145.4 -1.9 43.2 -1.3 231 233 A V E -DE 268 238A 0 7,-2.2 7,-2.6 -2,-0.4 2,-0.5 -0.940 18.7-127.0-119.4 134.6 0.1 44.9 -4.1 232 234 A E E + E 0 237A 92 35,-2.8 35,-0.3 -2,-0.4 5,-0.2 -0.693 37.9 167.8 -80.5 127.1 0.1 48.6 -4.7 233 235 A T E > - E 0 236A 36 3,-1.8 3,-1.7 -2,-0.5 -196,-0.1 -0.722 55.2 -90.4-123.5-176.5 -0.8 49.4 -8.4 234 236 A A T 3 S+ 0 0 119 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.810 130.3 53.6 -68.7 -24.9 -1.7 52.7 -10.2 235 237 A A T 3 S- 0 0 85 1,-0.3 -1,-0.3 -232,-0.0 -232,-0.2 0.256 123.9 -98.6 -90.2 10.2 -5.3 51.9 -9.2 236 238 A G E < - E 0 233A 30 -3,-1.7 -3,-1.8 -234,-0.1 -1,-0.3 -0.495 67.6 -21.7 105.2-173.9 -4.5 51.5 -5.5 237 239 A Y E - E 0 232A 43 -5,-0.2 -234,-0.4 -2,-0.2 2,-0.3 -0.556 66.0-168.2 -73.1 131.1 -3.8 48.5 -3.2 238 240 A Q E - E 0 231A 30 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.3 -0.927 22.8-109.3-122.8 146.6 -5.3 45.3 -4.8 239 241 A D E -aE 4 230A 34 -236,-2.1 -234,-2.7 -2,-0.3 2,-0.6 -0.610 21.8-142.6 -78.5 131.5 -5.8 41.9 -3.2 240 242 A I - 0 0 3 -11,-2.6 -12,-0.5 -2,-0.3 -11,-0.4 -0.843 25.7-124.1 -91.0 119.6 -3.6 39.0 -4.4 241 243 A E - 0 0 60 -2,-0.6 2,-0.1 -236,-0.3 -15,-0.0 -0.333 24.2-116.1 -62.1 146.6 -5.7 35.8 -4.5 242 244 A A + 0 0 23 -17,-0.1 2,-0.1 2,-0.0 -17,-0.1 -0.476 33.2 175.3 -81.1 154.7 -4.4 32.8 -2.6 243 245 A D > - 0 0 25 -19,-0.2 3,-1.0 -20,-0.2 -20,-0.3 -0.604 11.7-174.3-160.9 96.6 -3.3 29.6 -4.4 244 246 A D T 3 S+ 0 0 64 1,-0.2 -19,-0.1 -2,-0.1 -2,-0.0 0.290 83.6 61.4 -82.7 15.3 -1.8 26.9 -2.2 245 247 A T T 3 S+ 0 0 86 -196,-0.0 -1,-0.2 -195,-0.0 2,-0.2 0.547 104.6 49.3-106.5 -21.5 -1.0 24.8 -5.3 246 248 A G S < S- 0 0 1 -3,-1.0 2,-0.5 -23,-0.1 -23,-0.4 -0.618 82.2-111.1-113.6 174.1 1.4 27.3 -6.9 247 249 A Y E -G 42 0B 0 -205,-2.0 -205,-3.1 -2,-0.2 2,-0.5 -0.941 26.4-134.9-105.8 130.3 4.3 29.5 -6.0 248 250 A L E -GM 41 221B 3 -27,-2.9 -27,-2.8 -2,-0.5 2,-0.4 -0.755 27.7-165.5 -85.1 123.6 3.8 33.3 -5.9 249 251 A I E +GM 40 220B 0 -209,-2.9 -209,-1.7 -2,-0.5 2,-0.3 -0.933 17.2 155.7-115.0 138.5 6.7 35.0 -7.7 250 252 A N E -GM 39 219B 4 -31,-1.5 -31,-2.6 -2,-0.4 2,-0.2 -0.977 39.0-103.0-152.1 160.9 7.8 38.6 -7.7 251 253 A C E - M 0 218B 4 -213,-0.6 -37,-0.4 13,-0.3 -33,-0.3 -0.525 28.0-145.3 -83.1 149.8 10.9 40.7 -8.3 252 254 A G >> - 0 0 0 -35,-2.4 4,-1.4 -2,-0.2 3,-0.8 -0.524 37.9 -89.0-102.2 177.8 13.0 42.2 -5.5 253 255 A S H 3> S+ 0 0 32 -39,-2.8 4,-2.3 1,-0.3 -36,-0.1 0.692 121.8 65.0 -70.1 -17.2 14.9 45.5 -5.6 254 256 A Y H 3> S+ 0 0 0 -38,-1.9 4,-2.5 -40,-0.2 -1,-0.3 0.908 103.5 48.5 -68.6 -37.4 18.1 44.0 -7.0 255 257 A M H <> S+ 0 0 0 -3,-0.8 4,-1.8 -39,-0.7 8,-0.3 0.918 110.2 51.4 -65.2 -39.6 16.1 43.1 -10.2 256 258 A A H <>S+ 0 0 6 -4,-1.4 5,-3.0 2,-0.2 4,-0.4 0.926 110.7 49.4 -62.6 -43.1 14.8 46.7 -10.3 257 259 A H H ><5S+ 0 0 31 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.958 112.3 46.4 -59.4 -50.7 18.3 48.0 -10.0 258 260 A L H 3<5S+ 0 0 0 -4,-2.5 37,-2.8 1,-0.3 -1,-0.2 0.782 117.8 41.9 -64.1 -30.6 19.7 45.8 -12.8 259 261 A T T ><5S- 0 0 0 -4,-1.8 3,-1.6 4,-0.2 -1,-0.3 0.243 110.6-116.0-101.6 9.2 16.9 46.5 -15.3 260 262 A N T < 5S- 0 0 42 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.918 76.2 -53.7 55.3 43.5 16.7 50.3 -14.5 261 263 A N T 3 - 0 0 2 -115,-0.8 3,-1.3 -109,-0.2 25,-0.4 -0.465 49.9-104.3 -83.7 165.1 26.7 35.1 -4.3 288 290 A Y T 3 S+ 0 0 36 -111,-0.4 24,-2.1 1,-0.3 25,-0.4 0.845 120.6 35.6 -56.1 -40.9 28.5 37.7 -2.1 289 291 A D T 3 S+ 0 0 111 22,-0.2 -1,-0.3 23,-0.1 2,-0.2 0.331 85.1 131.2 -96.5 3.0 30.8 39.0 -4.9 290 292 A S < + 0 0 17 -3,-1.3 21,-2.9 -118,-0.1 2,-0.4 -0.381 30.5 178.0 -61.1 126.1 28.2 38.6 -7.7 291 293 A V - 0 0 60 19,-0.2 2,-0.5 -2,-0.2 19,-0.1 -0.994 10.8-171.0-132.7 123.4 28.0 41.8 -9.8 292 294 A I - 0 0 4 17,-0.5 17,-0.5 -2,-0.4 -123,-0.0 -0.973 30.9-118.8-111.5 129.3 25.7 42.1 -12.9 293 295 A D - 0 0 116 -2,-0.5 14,-0.1 15,-0.1 -2,-0.0 -0.565 34.4-115.6 -71.0 125.5 26.2 45.3 -15.0 294 296 A P + 0 0 19 0, 0.0 10,-0.4 0, 0.0 2,-0.2 -0.258 42.2 173.4 -59.2 145.9 23.0 47.3 -15.0 295 297 A F - 0 0 15 -37,-2.8 8,-0.2 8,-0.2 7,-0.1 -0.822 27.3-129.3-143.4 178.1 21.2 47.7 -18.3 296 298 A D > - 0 0 8 6,-1.8 3,-1.9 -2,-0.2 6,-0.3 -0.811 6.6-167.0-143.3 106.3 18.0 49.1 -19.8 297 299 A P T 3 S+ 0 0 49 0, 0.0 -37,-0.1 0, 0.0 -1,-0.1 0.445 89.9 61.0 -70.3 -1.4 15.7 47.1 -22.2 298 300 A R T 3 S+ 0 0 123 4,-0.0 3,-0.0 3,-0.0 -2,-0.0 0.496 92.2 79.9 -99.7 -9.1 13.7 50.2 -23.1 299 301 A E S X S- 0 0 102 -3,-1.9 3,-1.5 1,-0.1 -3,-0.2 -0.852 80.5-130.2-104.3 138.6 16.8 52.0 -24.5 300 302 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.863 110.1 36.8 -50.5 -46.4 18.2 51.3 -28.0 301 303 A N T 3 S- 0 0 109 2,-0.1 -5,-0.0 -3,-0.0 -3,-0.0 0.425 105.4-128.3 -88.1 -1.2 21.8 50.8 -26.9 302 304 A G < + 0 0 25 -3,-1.5 -6,-1.8 -6,-0.3 2,-0.1 0.542 58.1 144.2 68.4 9.6 20.7 49.1 -23.6 303 305 A K - 0 0 147 -8,-0.2 2,-0.3 -7,-0.1 -1,-0.2 -0.447 30.3-164.0 -83.0 151.5 22.8 51.4 -21.4 304 306 A S - 0 0 25 -10,-0.4 -8,-0.1 2,-0.2 -44,-0.0 -0.954 26.6-133.3-131.1 156.7 21.8 52.6 -18.0 305 307 A D S S+ 0 0 170 -2,-0.3 2,-0.3 -10,-0.1 -10,-0.0 0.035 74.2 107.8 -97.5 27.8 23.0 55.5 -15.7 306 308 A R - 0 0 83 -49,-0.1 -2,-0.2 -48,-0.1 3,-0.1 -0.777 67.7-124.2-100.7 147.4 23.1 53.2 -12.6 307 309 A E - 0 0 150 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.670 32.5 -95.1 -94.6 148.6 26.4 51.9 -11.1 308 310 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 -0.270 40.2-165.1 -58.7 139.9 27.3 48.3 -10.5 309 311 A L - 0 0 55 -17,-0.5 -17,-0.5 -55,-0.1 2,-0.1 -0.989 17.7-127.3-132.0 124.4 26.4 47.0 -7.1 310 312 A S > - 0 0 19 -2,-0.4 4,-2.3 -19,-0.1 -19,-0.2 -0.423 20.6-125.4 -69.3 148.6 27.8 43.7 -5.6 311 313 A Y H > S+ 0 0 0 -21,-2.9 4,-3.0 -24,-0.3 5,-0.2 0.897 108.8 55.7 -62.5 -37.6 25.1 41.4 -4.3 312 314 A G H > S+ 0 0 0 -24,-2.1 4,-2.3 -25,-0.4 5,-0.3 0.904 109.0 46.7 -60.4 -43.1 26.8 41.1 -0.8 313 315 A D H > S+ 0 0 79 -25,-0.4 4,-1.8 1,-0.2 5,-0.3 0.953 114.0 48.7 -63.5 -49.2 26.7 44.9 -0.4 314 316 A Y H X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 114.1 45.6 -54.6 -52.1 23.1 45.1 -1.5 315 317 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.942 110.7 48.7 -63.9 -51.0 22.0 42.2 0.8 316 318 A Q H X S+ 0 0 80 -4,-2.3 4,-1.5 1,-0.2 5,-0.2 0.954 118.2 41.7 -57.0 -46.7 23.7 43.3 4.1 317 319 A N H X S+ 0 0 104 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.904 113.8 53.1 -67.6 -39.6 22.4 46.8 3.8 318 320 A G H X S+ 0 0 15 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.891 106.3 50.4 -64.0 -43.7 18.9 45.8 2.6 319 321 A L H X S+ 0 0 54 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.910 112.7 46.8 -65.5 -39.9 18.2 43.4 5.5 320 322 A V H X S+ 0 0 79 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.914 112.1 50.8 -64.0 -45.9 19.2 46.0 8.2 321 323 A S H X S+ 0 0 71 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.876 107.9 52.0 -62.2 -39.1 17.1 48.7 6.4 322 324 A L H X S+ 0 0 43 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.888 109.9 49.5 -66.2 -37.7 14.0 46.5 6.3 323 325 A I H X S+ 0 0 67 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.929 111.7 49.0 -65.4 -42.8 14.3 45.8 10.1 324 326 A N H < S+ 0 0 127 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.924 118.4 39.8 -62.7 -41.4 14.6 49.5 10.8 325 327 A K H < S+ 0 0 90 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.939 132.9 18.3 -72.7 -53.4 11.6 50.4 8.6 326 328 A N H < S- 0 0 17 -4,-2.8 -116,-0.2 -5,-0.2 -3,-0.2 0.360 110.1-105.9-108.3 6.4 9.2 47.6 9.4 327 329 A G < - 0 0 36 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 0.142 44.0 -56.0 90.5 156.1 10.5 46.1 12.7 328 330 A Q 0 0 68 1,-0.2 -5,-0.0 -4,-0.1 -4,-0.0 -0.593 360.0 360.0 -70.8 123.7 12.4 43.0 13.9 329 331 A T 0 0 53 -2,-0.4 -1,-0.2 -238,-0.0 -240,-0.1 0.466 360.0 360.0 -85.9 360.0 10.4 39.9 12.8