==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-MAR-12 4DZT . COMPND 2 MOLECULE: AQUALYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR B.L.BARNETT,P.R.GREEN,L.C.STRICKLAND,J.D.OLIVER,T.RYDEL,J.F. . 276 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.8 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 0.7 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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 2 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 PARALLEL BRIDGES PER LADDER . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 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 1 A A 0 0 79 0, 0.0 25,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 153.9 24.3 5.0 26.0 2 2 A T E -A 25 0A 84 23,-0.2 2,-0.6 2,-0.1 23,-0.3 -0.985 360.0-153.0-125.4 132.5 26.4 7.7 27.5 3 3 A Q E -A 24 0A 31 21,-3.6 21,-2.9 -2,-0.5 3,-0.0 -0.877 20.9-157.3 -97.3 122.6 30.0 8.5 26.6 4 4 A S S S+ 0 0 78 -2,-0.6 2,-0.2 19,-0.2 19,-0.2 -0.938 71.0 27.0-151.6 129.5 32.1 10.1 29.4 5 5 A P S S+ 0 0 91 0, 0.0 18,-0.1 0, 0.0 -1,-0.1 0.607 90.2 174.4 -71.9 174.4 34.5 11.7 29.3 6 6 A A - 0 0 16 -2,-0.2 77,-0.1 17,-0.1 16,-0.1 -0.987 39.4 -84.7-149.6 153.7 33.9 13.1 25.8 7 7 A P > - 0 0 20 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.212 49.0-116.5 -52.3 144.1 35.2 15.6 23.2 8 8 A W H > S+ 0 0 37 195,-0.2 4,-2.6 1,-0.2 5,-0.2 0.867 110.9 56.5 -65.9 -32.6 33.8 19.0 24.0 9 9 A G H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.960 111.3 41.8 -64.9 -46.4 31.8 19.4 20.8 10 10 A L H > S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.949 114.3 55.3 -55.7 -47.7 29.9 16.1 21.4 11 11 A D H >< S+ 0 0 5 -4,-2.5 3,-0.7 1,-0.2 10,-0.3 0.888 107.1 49.6 -51.7 -43.9 29.6 17.2 25.0 12 12 A R H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.843 103.3 57.6 -71.6 -33.1 28.0 20.5 24.1 13 13 A I H 3< S+ 0 0 0 -4,-1.5 261,-2.4 -3,-0.3 262,-0.4 0.652 94.6 61.7 -86.6 -5.4 25.3 19.3 21.7 14 14 A D T << S+ 0 0 16 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.3 0.224 105.7 51.6 -98.4 17.4 23.4 16.9 24.0 15 15 A Q S < S- 0 0 32 -3,-1.2 241,-0.1 1,-0.1 3,-0.0 -0.983 70.4-139.0-142.3 158.1 22.5 19.7 26.4 16 16 A R S S+ 0 0 90 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.878 80.6 33.0 -82.7 -39.2 20.9 23.1 26.2 17 17 A D S S- 0 0 87 2,-0.1 -1,-0.1 1,-0.0 242,-0.0 -0.841 80.9 -79.1-125.0 158.7 23.1 25.1 28.6 18 18 A L S S+ 0 0 67 -2,-0.3 2,-0.1 2,-0.1 164,-0.0 -0.384 77.8 78.6 -73.0 163.2 26.6 25.4 30.0 19 19 A P S S- 0 0 115 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.476 81.5-116.2 -80.0 162.0 28.5 24.3 31.9 20 20 A L - 0 0 63 161,-0.1 -8,-0.1 1,-0.1 -2,-0.1 -0.260 14.3-149.6 -56.4 148.5 29.7 21.3 29.9 21 21 A S - 0 0 57 2,-0.3 -1,-0.1 -10,-0.3 3,-0.1 0.539 29.0-125.2 -97.9 -7.3 28.9 17.9 31.6 22 22 A N S S+ 0 0 82 1,-0.2 2,-0.3 -14,-0.1 -2,-0.1 0.790 80.6 100.6 57.8 33.4 31.9 16.0 30.2 23 23 A S - 0 0 25 -19,-0.2 2,-0.5 -18,-0.1 -2,-0.3 -0.997 56.5-159.9-149.2 143.6 29.3 13.5 28.8 24 24 A Y E -A 3 0A 0 -21,-2.9 -21,-3.6 -2,-0.3 2,-0.4 -0.956 13.8-165.3-126.2 115.2 27.7 12.7 25.5 25 25 A T E -A 2 0A 41 -2,-0.5 2,-0.4 -23,-0.3 -23,-0.2 -0.826 8.0-179.8-101.5 140.0 24.4 10.8 25.6 26 26 A Y - 0 0 46 -25,-2.5 249,-0.1 -2,-0.4 3,-0.1 -1.000 23.4-174.0-140.7 138.0 22.9 9.1 22.5 27 27 A T S S+ 0 0 113 -2,-0.4 2,-0.3 -25,-0.0 -1,-0.1 0.458 81.8 35.8-106.4 -4.2 19.8 7.1 22.0 28 28 A A - 0 0 5 -27,-0.1 59,-0.3 1,-0.0 206,-0.1 -0.856 57.6-160.4-137.6 169.7 20.6 6.3 18.3 29 29 A T - 0 0 42 -2,-0.3 59,-2.6 57,-0.2 60,-0.4 0.334 47.9-107.4-132.4 -4.9 23.8 5.5 16.4 30 30 A G > + 0 0 0 204,-0.2 3,-2.4 1,-0.2 60,-0.3 0.686 54.2 177.1 78.4 19.3 22.9 6.1 12.8 31 31 A R T 3 + 0 0 143 1,-0.3 -1,-0.2 58,-0.1 58,-0.2 -0.394 66.0 14.5 -60.8 133.4 23.0 2.4 12.2 32 32 A G T 3 S+ 0 0 38 56,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.415 98.1 118.3 81.1 -0.8 22.0 1.7 8.5 33 33 A V < - 0 0 0 -3,-2.4 57,-2.4 55,-0.1 2,-0.5 -0.834 57.6-136.0-109.5 146.0 22.4 5.2 7.3 34 34 A N E -bc 90 123B 10 88,-2.4 90,-2.5 -2,-0.4 2,-0.5 -0.835 14.9-165.2 -99.8 120.6 24.9 6.1 4.6 35 35 A V E -bc 91 124B 0 55,-2.9 57,-2.6 -2,-0.5 2,-0.7 -0.958 5.1-157.1-114.2 123.4 27.1 9.2 5.0 36 36 A Y E -bc 92 125B 4 88,-3.1 90,-2.6 -2,-0.5 2,-0.9 -0.870 5.1-159.5-101.0 108.8 28.9 10.6 1.9 37 37 A V E -bc 93 126B 1 55,-2.4 57,-2.6 -2,-0.7 2,-0.8 -0.801 1.9-163.9 -94.6 107.4 31.9 12.7 2.9 38 38 A I E +bc 94 127B 0 88,-2.2 90,-0.5 -2,-0.9 2,-0.2 -0.830 52.5 85.8 -93.6 105.1 32.9 14.9 -0.1 39 39 A D E S-b 95 0B 4 55,-1.7 57,-2.7 -2,-0.8 58,-1.1 -0.680 96.4 -35.5-171.5-151.0 36.3 16.0 0.8 40 40 A T S S- 0 0 1 1,-0.3 27,-0.6 55,-0.2 28,-0.2 0.296 94.3 -96.5 -85.4 7.3 40.0 15.0 0.6 41 41 A G - 0 0 0 53,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.544 40.0 -90.6 108.7-177.2 39.2 11.3 1.0 42 42 A I - 0 0 0 22,-1.5 2,-1.3 -2,-0.2 3,-0.1 -0.999 16.1-128.7-139.3 135.3 39.2 9.1 4.1 43 43 A R > - 0 0 69 -2,-0.3 3,-1.5 22,-0.2 22,-0.1 -0.698 33.5-169.4 -76.4 98.5 41.9 6.9 5.7 44 44 A T T 3 S+ 0 0 23 -2,-1.3 9,-0.4 1,-0.3 7,-0.4 0.740 74.5 58.2 -71.9 -20.1 39.5 4.0 5.8 45 45 A T T 3 S+ 0 0 79 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.409 73.5 130.1 -90.3 2.9 41.7 1.7 8.0 46 46 A H X> - 0 0 5 -3,-1.5 3,-1.7 1,-0.2 4,-0.6 -0.232 68.2-123.9 -55.0 139.9 41.8 4.2 10.9 47 47 A R G >4 S+ 0 0 159 165,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.748 103.7 71.6 -63.7 -20.4 40.9 2.5 14.1 48 48 A E G 34 S+ 0 0 3 164,-0.3 33,-2.5 1,-0.2 -1,-0.3 0.718 97.8 49.1 -63.9 -21.5 38.0 5.0 14.8 49 49 A F G X4 S- 0 0 0 -3,-1.7 3,-2.2 31,-0.2 -1,-0.2 0.638 85.6-151.7 -98.3 -17.2 35.9 3.6 12.0 50 50 A G T << S- 0 0 65 -4,-0.6 -3,-0.1 -3,-0.5 -5,-0.1 0.869 74.6 -47.6 44.8 50.5 36.1 -0.1 12.8 51 51 A G T 3 S+ 0 0 58 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.466 116.2 109.7 76.6 1.5 35.6 -1.2 9.2 52 52 A R < + 0 0 42 -3,-2.2 39,-2.4 27,-0.1 2,-0.4 0.553 57.5 83.8 -88.1 -9.7 32.6 1.1 8.5 53 53 A A E +d 91 0B 8 -9,-0.4 2,-0.3 37,-0.2 39,-0.2 -0.769 53.6 162.3 -94.1 133.0 34.4 3.5 6.2 54 54 A R E -d 92 0B 99 37,-2.6 39,-2.6 -2,-0.4 2,-0.4 -0.935 39.3-100.7-142.0 170.1 34.8 2.6 2.5 55 55 A V E +d 93 0B 55 -2,-0.3 39,-0.1 37,-0.2 3,-0.1 -0.777 32.8 170.5 -92.4 132.4 35.6 4.4 -0.7 56 56 A G E - 0 0 24 37,-2.8 2,-0.3 -2,-0.4 38,-0.2 0.799 64.4 -9.6-101.7 -50.1 32.8 5.5 -3.1 57 57 A Y E -d 94 0B 67 36,-2.1 38,-2.9 7,-0.1 2,-0.4 -1.000 45.1-160.2-154.0 148.9 34.4 7.7 -5.6 58 58 A D E > -d 95 0B 24 -2,-0.3 3,-0.7 36,-0.2 38,-0.2 -0.954 2.0-170.3-133.9 114.6 37.7 9.5 -6.5 59 59 A A T 3 S+ 0 0 29 36,-2.6 37,-0.1 -2,-0.4 -1,-0.1 0.386 81.4 59.3 -81.9 -0.3 37.6 12.4 -9.0 60 60 A L T 3 S- 0 0 77 35,-0.3 -1,-0.2 37,-0.1 3,-0.1 0.226 115.8 -97.6-119.1 12.9 41.4 12.7 -9.2 61 61 A G S < S+ 0 0 81 -3,-0.7 -2,-0.1 1,-0.3 2,-0.1 0.494 88.1 112.4 85.1 6.4 42.5 9.3 -10.5 62 62 A G S S- 0 0 40 33,-0.1 -1,-0.3 3,-0.0 -4,-0.1 -0.209 80.9 -97.1 -99.7-167.0 43.4 8.0 -7.0 63 63 A N - 0 0 112 2,-0.1 3,-0.1 -3,-0.1 -8,-0.1 0.145 56.7-105.3-101.5 13.5 42.1 5.3 -4.7 64 64 A G S S+ 0 0 0 1,-0.3 -22,-1.5 31,-0.1 2,-0.1 0.289 75.7 135.0 83.7 -10.9 39.9 7.5 -2.4 65 65 A Q - 0 0 52 -24,-0.2 2,-0.3 1,-0.1 -1,-0.3 -0.425 59.3-109.5 -77.2 150.8 42.3 7.5 0.5 66 66 A D + 0 0 11 1,-0.1 -25,-0.2 -2,-0.1 -1,-0.1 -0.562 37.6 167.9 -77.3 128.9 43.1 10.7 2.4 67 67 A a S S+ 0 0 36 -27,-0.6 -1,-0.1 -2,-0.3 -26,-0.1 0.165 78.5 51.2-119.7 18.9 46.6 12.3 2.0 68 68 A N S S- 0 0 27 -28,-0.2 142,-0.1 29,-0.1 31,-0.1 0.740 92.9-130.9-115.3 -45.9 45.6 15.6 3.5 69 69 A G S > S+ 0 0 0 -29,-0.1 4,-2.4 139,-0.1 5,-0.2 -0.179 82.6 93.2 119.5 -40.1 43.9 14.9 6.9 70 70 A H H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 85.5 48.6 -56.3 -49.9 40.8 17.0 6.6 71 71 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 113.8 47.0 -60.3 -36.4 38.5 14.3 5.1 72 72 A T H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 135,-0.3 0.912 112.6 49.9 -69.6 -41.4 39.5 11.8 7.8 73 73 A H H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 134,-0.3 0.926 112.7 46.7 -60.6 -50.7 39.0 14.4 10.5 74 74 A V H X S+ 0 0 1 -4,-2.9 4,-1.9 -5,-0.2 3,-0.3 0.935 111.0 52.2 -58.1 -47.4 35.6 15.3 9.2 75 75 A A H X S+ 0 0 0 -4,-2.2 4,-3.4 -5,-0.2 5,-0.3 0.904 106.7 54.8 -58.0 -41.3 34.6 11.6 8.9 76 76 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.865 105.4 49.9 -62.5 -37.0 35.7 11.0 12.5 77 77 A T H < S+ 0 0 1 -4,-1.6 8,-2.3 -3,-0.3 9,-0.2 0.830 116.0 45.2 -73.6 -31.6 33.4 13.8 14.0 78 78 A I H < S- 0 0 0 -4,-1.9 8,-2.7 6,-0.2 -2,-0.2 0.972 139.3 -5.9 -69.9 -52.9 30.6 12.3 12.0 79 79 A G H < S+ 0 0 0 -4,-3.4 -3,-0.2 5,-0.2 -2,-0.2 0.272 83.2 129.8-138.7 18.1 31.1 8.7 12.8 80 80 A G X - 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -31,-0.2 -0.504 60.0-124.9 -75.3 146.7 34.2 7.8 14.7 81 81 A V T 4 S+ 0 0 78 -33,-2.5 -1,-0.1 1,-0.2 6,-0.1 0.889 108.7 23.4 -61.4 -37.1 33.6 5.5 17.8 82 82 A T T 4 S+ 0 0 52 -34,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.855 136.7 29.7 -90.1 -44.0 35.4 8.0 20.1 83 83 A Y T 4 S+ 0 0 48 -77,-0.1 2,-0.2 -7,-0.1 -2,-0.2 0.538 100.4 102.8 -97.3 -5.0 35.1 11.3 18.2 84 84 A G < - 0 0 0 -4,-2.4 3,-0.2 -36,-0.1 -6,-0.2 -0.559 58.1-151.5 -94.3 145.8 31.8 10.8 16.4 85 85 A V S S+ 0 0 1 -8,-2.3 2,-0.7 1,-0.2 -6,-0.2 0.899 99.3 36.9 -69.1 -45.0 28.2 11.9 16.8 86 86 A A S > S- 0 0 0 -8,-2.7 3,-1.4 -9,-0.2 -1,-0.2 -0.851 75.2-168.5-118.9 92.2 26.7 8.8 15.1 87 87 A K T 3 S+ 0 0 20 -2,-0.7 -57,-0.1 1,-0.3 -1,-0.1 0.481 77.4 40.1 -76.8 1.5 28.9 5.9 16.2 88 88 A A T 3 S+ 0 0 29 -59,-2.6 -56,-0.5 -8,-0.1 -1,-0.3 0.257 79.6 129.5-129.8 17.4 27.6 3.3 13.8 89 89 A V < - 0 0 0 -3,-1.4 2,-0.5 -60,-0.4 -55,-0.2 -0.292 61.4-113.8 -68.5 160.3 27.0 5.0 10.4 90 90 A N E -b 34 0B 44 -57,-2.4 -55,-2.9 -60,-0.3 2,-0.4 -0.816 34.8-154.5 -83.7 125.6 28.3 3.7 7.1 91 91 A L E -bd 35 53B 0 -39,-2.4 -37,-2.6 -2,-0.5 2,-0.4 -0.922 9.7-167.8-110.3 136.0 30.9 6.2 5.8 92 92 A Y E -bd 36 54B 44 -57,-2.6 -55,-2.4 -2,-0.4 2,-0.4 -0.984 16.4-137.5-123.2 121.3 31.8 6.7 2.1 93 93 A A E -bd 37 55B 0 -39,-2.6 -37,-2.8 -2,-0.4 -36,-2.1 -0.623 17.7-177.3 -73.3 126.0 34.8 8.6 0.8 94 94 A V E -bd 38 57B 0 -57,-2.6 -55,-1.7 -2,-0.4 2,-0.7 -0.893 18.9-157.7-121.0 93.2 34.0 10.8 -2.1 95 95 A R E +bd 39 58B 22 -38,-2.9 -36,-2.6 -2,-0.5 -35,-0.3 -0.657 35.9 145.0 -87.5 111.5 37.4 12.3 -2.8 96 96 A V + 0 0 0 -57,-2.7 2,-0.3 -2,-0.7 -56,-0.2 0.348 56.0 67.6-124.0 4.2 37.4 15.5 -4.8 97 97 A L S S- 0 0 20 -58,-1.1 6,-0.2 6,-0.1 -37,-0.1 -0.933 74.4-124.9-125.7 148.4 40.4 17.4 -3.2 98 98 A D > - 0 0 49 4,-3.0 3,-2.6 -2,-0.3 -31,-0.1 -0.068 43.2 -80.3 -86.4-170.2 44.1 16.6 -3.5 99 99 A a T 3 S+ 0 0 56 1,-0.3 -1,-0.1 2,-0.1 -59,-0.1 0.798 134.3 50.3 -60.1 -27.1 46.8 16.1 -0.8 100 100 A N T 3 S- 0 0 142 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.391 119.5-112.1 -89.8 5.5 47.0 19.8 -0.5 101 101 A G S < S+ 0 0 28 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.754 77.7 124.1 71.2 24.6 43.2 20.2 -0.1 102 102 A S + 0 0 64 -62,-0.1 -4,-3.0 2,-0.0 -1,-0.3 -0.825 25.4 147.9-113.3 158.2 42.9 21.9 -3.5 103 103 A G - 0 0 42 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.939 46.0 -93.3-176.0 155.9 40.7 20.9 -6.5 104 104 A S >> - 0 0 72 -2,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.477 34.3-119.7 -74.9 157.1 38.8 22.4 -9.4 105 105 A T H 3> S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.806 112.6 65.5 -59.1 -30.0 35.1 23.1 -8.9 106 106 A S H 3> S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 101.5 46.5 -60.8 -40.5 34.5 20.7 -11.8 107 107 A G H <> S+ 0 0 12 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.831 109.7 54.5 -71.1 -33.9 35.8 17.8 -9.8 108 108 A V H X S+ 0 0 10 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.931 109.3 48.1 -63.7 -42.9 33.7 18.9 -6.8 109 109 A I H X S+ 0 0 32 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.926 105.4 58.6 -66.6 -36.4 30.7 18.8 -9.0 110 110 A A H X S+ 0 0 31 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.896 108.0 46.4 -55.1 -40.8 31.7 15.4 -10.3 111 111 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.905 110.9 51.8 -73.7 -36.5 31.6 14.0 -6.7 112 112 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.966 111.4 47.2 -61.5 -49.6 28.2 15.7 -6.0 113 113 A D H X S+ 0 0 56 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.903 108.1 56.2 -58.2 -38.5 26.7 14.2 -9.2 114 114 A W H X S+ 0 0 40 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.952 108.3 47.8 -57.7 -44.3 28.1 10.8 -8.2 115 115 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.938 108.7 55.7 -64.4 -41.8 26.3 11.0 -4.8 116 116 A T H < S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.940 119.0 30.3 -55.0 -49.0 23.1 12.0 -6.6 117 117 A R H < S+ 0 0 173 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.712 128.8 37.2 -86.4 -22.7 23.1 8.9 -8.9 118 118 A N H < S+ 0 0 73 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.555 83.5 113.0-111.0 -6.8 24.8 6.4 -6.6 119 119 A H < - 0 0 28 -4,-2.3 2,-0.4 -5,-0.3 4,-0.1 -0.216 52.9-143.8 -63.0 158.6 23.6 7.1 -3.0 120 120 A R - 0 0 194 2,-0.1 -86,-0.3 -86,-0.0 -2,-0.1 -0.983 38.0 -81.9-114.6 130.8 21.5 4.6 -1.1 121 121 A R S S+ 0 0 163 -2,-0.4 2,-0.1 -88,-0.1 28,-0.1 -0.461 110.3 50.9 -74.2 154.6 18.8 5.9 1.2 122 122 A P S S+ 0 0 21 0, 0.0 -88,-2.4 0, 0.0 2,-0.4 0.594 88.4 167.8 -78.4 143.4 18.8 6.9 3.9 123 123 A A E -c 34 0B 2 25,-0.4 27,-2.0 -90,-0.2 2,-0.4 -0.984 24.6-176.1-137.0 139.8 21.6 9.2 2.9 124 124 A V E -ce 35 150B 0 -90,-2.5 -88,-3.1 -2,-0.4 2,-0.4 -0.985 10.9-158.7-127.3 134.3 23.5 12.2 4.2 125 125 A A E -ce 36 151B 0 25,-3.4 27,-2.3 -2,-0.4 2,-0.5 -0.959 3.8-155.1-118.3 140.2 26.3 14.2 2.4 126 126 A N E -ce 37 152B 0 -90,-2.6 -88,-2.2 -2,-0.4 2,-0.5 -0.954 9.1-176.0-111.8 123.8 28.9 16.4 4.2 127 127 A M E +ce 38 153B 0 25,-2.7 27,-2.1 -2,-0.5 2,-1.4 -0.809 6.7 173.5-118.7 90.0 30.5 19.2 2.3 128 128 A S + 0 0 7 -90,-0.5 2,-0.3 -2,-0.5 94,-0.1 -0.487 57.0 79.9 -89.9 60.6 33.2 20.8 4.6 129 129 A L + 0 0 27 -2,-1.4 25,-0.4 25,-0.1 2,-0.3 -0.945 50.8 173.7-155.2 170.4 34.4 23.0 1.8 130 130 A G + 0 0 54 -2,-0.3 2,-0.3 37,-0.1 25,-0.1 -0.968 4.3 165.3-174.5 164.9 33.5 26.3 0.1 131 131 A G E -K 166 0C 34 35,-1.4 35,-2.4 -2,-0.3 37,-0.2 -0.916 49.2 -36.0-172.3-170.8 34.6 28.9 -2.4 132 132 A G E S-K 165 0C 56 -2,-0.3 34,-0.4 33,-0.2 33,-0.2 -0.043 84.9 -62.6 -63.4 171.6 33.2 31.9 -4.4 133 133 A V + 0 0 73 31,-0.5 2,-0.3 32,-0.2 -1,-0.2 -0.267 57.6 175.2 -55.9 132.4 29.7 31.9 -5.9 134 134 A S > - 0 0 27 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.864 20.4-168.5-145.1 104.8 29.2 29.1 -8.4 135 135 A T H > S+ 0 0 93 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.873 91.3 55.4 -66.0 -31.4 25.7 28.6 -9.9 136 136 A A H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 111.0 44.0 -68.2 -36.8 26.8 25.3 -11.4 137 137 A L H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 112.6 52.4 -69.9 -42.9 27.9 24.0 -8.0 138 138 A D H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.900 111.2 47.6 -53.5 -43.8 24.7 25.4 -6.4 139 139 A N H X S+ 0 0 87 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.873 109.3 52.3 -69.8 -37.4 22.6 23.6 -9.0 140 140 A A H X S+ 0 0 6 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.901 112.0 46.1 -68.2 -38.0 24.4 20.3 -8.6 141 141 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.926 112.2 50.9 -68.9 -38.4 23.8 20.5 -4.8 142 142 A K H X S+ 0 0 78 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.917 110.3 49.9 -62.9 -39.1 20.1 21.4 -5.3 143 143 A N H X S+ 0 0 101 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.842 109.2 51.7 -64.9 -37.1 19.6 18.5 -7.7 144 144 A S H <>S+ 0 0 0 -4,-1.7 5,-1.8 2,-0.2 4,-0.3 0.924 110.9 47.1 -66.8 -44.1 21.2 16.1 -5.2 145 145 A I H ><5S+ 0 0 18 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.913 109.5 53.7 -63.8 -41.1 18.9 17.3 -2.4 146 146 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 101.8 60.4 -60.7 -28.9 15.9 17.0 -4.7 147 147 A A T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.571 131.9 -93.1 -75.5 -9.8 17.0 13.4 -5.4 148 148 A G T < 5S+ 0 0 14 -3,-1.6 2,-0.5 -4,-0.3 -25,-0.4 0.522 81.6 131.5 114.2 5.4 16.6 12.7 -1.7 149 149 A V < - 0 0 0 -5,-1.8 2,-0.4 -27,-0.1 -1,-0.3 -0.815 50.6-134.5 -93.9 131.1 20.0 13.3 -0.1 150 150 A V E -e 124 0B 6 -27,-2.0 -25,-3.4 -2,-0.5 2,-0.4 -0.684 25.0-158.3 -76.6 125.2 20.3 15.5 3.0 151 151 A Y E -e 125 0B 3 -2,-0.4 23,-3.0 21,-0.3 2,-0.4 -0.921 16.1-172.4-111.1 133.9 23.2 18.0 2.7 152 152 A A E -ef 126 174B 1 -27,-2.3 -25,-2.7 -2,-0.4 2,-0.3 -0.989 17.9-178.0-115.4 130.3 25.2 19.7 5.5 153 153 A V E -ef 127 175B 0 21,-2.8 23,-2.6 -2,-0.4 -25,-0.2 -0.952 29.5-104.7-131.9 148.3 27.6 22.3 4.2 154 154 A A E - f 0 176B 3 -27,-2.1 23,-0.2 -25,-0.4 14,-0.1 -0.428 16.8-141.9 -68.9 141.3 30.2 24.7 5.9 155 155 A A - 0 0 1 21,-2.4 22,-0.1 1,-0.2 -1,-0.1 0.809 52.5-114.2 -69.7 -28.8 29.2 28.3 6.1 156 156 A G - 0 0 13 20,-0.4 34,-2.5 34,-0.1 3,-0.3 -0.231 10.7-102.2 109.9 162.0 32.9 29.2 5.4 157 157 A N S S+ 0 0 74 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.141 81.1 107.7-117.6 41.2 35.7 30.9 7.4 158 158 A D S S- 0 0 85 2,-0.1 31,-0.2 -3,-0.1 -1,-0.2 0.330 81.6-124.3 -99.1 4.7 35.7 34.4 6.0 159 159 A N S S+ 0 0 81 29,-2.3 2,-0.2 -3,-0.3 31,-0.2 0.900 80.3 109.3 48.0 40.3 34.2 36.2 8.9 160 160 A A S S- 0 0 21 28,-0.3 31,-2.5 -4,-0.1 2,-0.5 -0.754 83.4 -61.6-134.9 179.6 31.8 37.4 6.2 161 161 A N B > -l 191 0D 66 -2,-0.2 3,-1.8 29,-0.2 31,-0.2 -0.569 41.5-147.5 -70.9 117.8 28.2 37.0 4.9 162 162 A A G > S+ 0 0 0 29,-2.4 3,-1.5 -2,-0.5 -1,-0.2 0.654 88.5 77.3 -62.5 -17.5 27.7 33.4 4.0 163 163 A b G 3 S+ 0 0 30 28,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.707 84.7 66.0 -69.3 -11.2 25.3 34.2 1.2 164 164 A N G < S+ 0 0 97 -3,-1.8 -31,-0.5 -31,-0.1 2,-0.3 0.296 95.2 71.6 -90.1 11.8 28.4 35.2 -0.9 165 165 A Y E <> S-K 132 0C 52 -3,-1.5 4,-2.4 -33,-0.2 -33,-0.2 -0.924 79.3 -96.4-132.4 154.9 29.7 31.7 -1.0 166 166 A S E 4 S+K 131 0C 3 -35,-2.4 -35,-1.4 -34,-0.4 -31,-0.1 -0.953 99.1 0.2-118.5 135.9 29.0 28.3 -2.7 167 167 A P T >4 S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.943 119.7 74.6 -92.0 15.6 27.6 26.0 -1.7 168 168 A A T 34 S+ 0 0 1 1,-0.3 -2,-0.2 -37,-0.2 -15,-0.1 0.852 92.1 59.5 -48.6 -40.1 26.9 27.8 1.6 169 169 A R T 3< S+ 0 0 95 -4,-2.4 2,-0.5 -7,-0.1 -1,-0.3 0.479 73.3 116.4 -77.0 1.8 24.3 30.0 0.1 170 170 A V X - 0 0 1 -3,-2.0 3,-0.9 1,-0.2 5,-0.0 -0.589 55.8-153.6 -72.6 120.6 22.0 27.1 -1.0 171 171 A A T 3 S+ 0 0 79 -2,-0.5 -1,-0.2 1,-0.2 4,-0.2 0.880 90.4 54.5 -64.7 -37.9 18.7 27.5 0.9 172 172 A E T 3 S+ 0 0 109 2,-0.1 -21,-0.3 -3,-0.1 -1,-0.2 0.635 96.0 78.5 -74.1 -16.6 17.9 23.7 0.8 173 173 A A S < S- 0 0 2 -3,-0.9 2,-0.7 -6,-0.2 -21,-0.2 -0.630 92.2-109.9 -85.0 151.2 21.2 22.6 2.3 174 174 A L E -f 152 0B 4 -23,-3.0 -21,-2.8 -2,-0.2 2,-0.6 -0.735 36.0-154.4 -78.8 118.2 21.8 22.9 6.1 175 175 A T E -f 153 0B 0 -2,-0.7 21,-2.1 -23,-0.2 22,-1.5 -0.829 9.9-156.6-103.1 121.4 24.4 25.7 6.3 176 176 A V E -fg 154 197B 0 -23,-2.6 -21,-2.4 -2,-0.6 -20,-0.4 -0.805 12.0-170.5-111.6 122.0 26.6 25.5 9.4 177 177 A G E - g 0 198B 0 20,-2.6 22,-1.5 -2,-0.5 2,-0.4 -0.513 27.2-111.4 -97.7 174.6 28.5 28.2 11.2 178 178 A A E - g 0 199B 0 12,-0.2 8,-2.4 20,-0.2 2,-0.3 -0.848 27.2-174.0-114.6 139.7 31.1 27.6 14.1 179 179 A T E -Hg 185 200B 0 20,-2.0 22,-2.3 -2,-0.4 23,-0.6 -0.838 18.6-124.4-122.7 167.3 31.0 28.4 17.8 180 180 A T > - 0 0 35 4,-2.4 3,-2.3 -2,-0.3 4,-0.2 -0.503 37.2 -96.4-103.0 173.0 33.4 28.2 20.7 181 181 A S T 3 S+ 0 0 60 1,-0.3 -161,-0.1 -2,-0.2 -1,-0.0 0.654 123.6 63.0 -70.0 -4.6 33.2 26.4 24.0 182 182 A S T 3 S- 0 0 92 2,-0.1 -1,-0.3 79,-0.0 3,-0.1 0.249 119.3-110.5 -93.3 11.3 32.1 29.8 25.5 183 183 A D S < S+ 0 0 11 -3,-2.3 78,-2.3 1,-0.2 2,-0.3 0.801 77.9 128.9 62.6 34.2 29.0 29.7 23.2 184 184 A A B S-m 261 0E 25 76,-0.2 -4,-2.4 -4,-0.2 2,-0.3 -0.821 70.5 -94.0-110.2 157.9 30.3 32.6 21.1 185 185 A R B -H 179 0B 51 76,-1.8 -6,-0.3 -2,-0.3 2,-0.1 -0.533 47.8-111.5 -60.1 127.9 30.7 32.8 17.3 186 186 A A > - 0 0 2 -8,-2.4 3,-1.8 -2,-0.3 -8,-0.2 -0.430 28.3-116.8 -58.7 141.2 34.2 31.7 16.4 187 187 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.705 112.2 46.5 -59.3 -22.9 36.0 34.8 15.1 188 188 A F T 3 S+ 0 0 48 -30,-0.1 -29,-2.3 -29,-0.1 -28,-0.3 0.508 85.6 118.8 -90.6 -11.6 36.5 33.3 11.6 189 189 A S < - 0 0 0 -3,-1.8 -32,-0.2 -31,-0.2 -12,-0.1 -0.384 62.5-129.2 -71.1 132.1 33.0 32.0 11.1 190 190 A N + 0 0 0 -34,-2.5 -12,-0.2 -31,-0.2 2,-0.2 -0.261 38.5 174.2 -60.4 160.1 30.8 33.2 8.3 191 191 A Y B +l 161 0D 65 -31,-2.5 -29,-2.4 -36,-0.1 -28,-0.3 -0.834 18.4 86.4-153.2-170.5 27.4 34.4 9.5 192 192 A G S > S- 0 0 0 71,-0.5 3,-1.7 -2,-0.2 74,-0.2 -0.482 88.3 -33.4 101.6-170.4 24.1 36.0 8.5 193 193 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.2 72,-0.2 73,-0.1 0.647 126.5 61.3 -70.1 -15.1 20.8 34.9 7.0 194 194 A b T 3 S+ 0 0 30 -3,-0.3 2,-0.5 -39,-0.0 -1,-0.3 0.539 85.4 91.7 -87.2 -3.1 22.2 32.1 4.8 195 195 A V < - 0 0 2 -3,-1.7 -19,-0.2 1,-0.1 3,-0.1 -0.789 58.0-169.3 -86.6 127.7 23.5 30.4 8.0 196 196 A D - 0 0 29 -21,-2.1 2,-0.3 -2,-0.5 -20,-0.2 0.837 62.5 -26.4 -89.1 -34.7 20.9 27.9 9.3 197 197 A L E -g 176 0B 0 -22,-1.5 -20,-2.6 72,-0.1 -1,-0.3 -0.968 58.4-114.9-166.4 173.5 22.5 27.1 12.6 198 198 A F E +gi 177 271B 0 72,-2.2 74,-2.3 -2,-0.3 -20,-0.2 -0.805 25.5 176.9-117.5 157.8 25.8 26.9 14.5 199 199 A A E -g 178 0B 0 -22,-1.5 -20,-2.0 -2,-0.3 25,-0.1 -0.935 48.0 -64.0-153.3 162.3 27.7 24.0 16.0 200 200 A P E +g 179 0B 0 0, 0.0 27,-0.2 0, 0.0 -20,-0.2 -0.300 58.7 154.1 -57.6 132.3 31.0 23.5 17.8 201 201 A G + 0 0 0 -22,-2.3 19,-2.8 1,-0.1 2,-0.4 0.133 40.0 83.9-147.8 20.5 33.8 24.3 15.5 202 202 A A S S- 0 0 16 -23,-0.6 17,-0.2 17,-0.2 -1,-0.1 -0.995 100.4 -0.2-126.7 136.6 36.9 25.4 17.5 203 203 A S S S+ 0 0 70 -2,-0.4 -195,-0.2 1,-0.2 16,-0.2 0.902 81.1 169.4 58.5 48.9 39.5 23.0 19.0 204 204 A I E -N 218 0F 4 14,-2.8 14,-2.3 -3,-0.2 2,-0.3 -0.834 22.1-149.3 -95.4 119.3 37.7 19.9 17.7 205 205 A P E +N 217 0F 30 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.691 33.0 136.9 -90.1 143.9 39.7 16.7 18.1 206 206 A S E -N 216 0F 0 10,-1.8 10,-2.3 -2,-0.3 -133,-0.2 -0.921 51.8 -54.8-162.9-174.9 39.3 13.9 15.6 207 207 A A E -N 215 0F 0 -135,-0.3 8,-0.3 -134,-0.3 2,-0.3 -0.236 45.0-157.0 -68.5 160.6 41.2 11.2 13.6 208 208 A W > - 0 0 31 6,-1.7 3,-0.5 3,-0.2 6,-0.3 -0.901 21.8-119.8-139.1 163.8 44.0 12.1 11.1 209 209 A Y T 3 S+ 0 0 74 -2,-0.3 -140,-0.1 1,-0.2 -2,-0.0 0.613 87.3 86.4 -85.8 -11.9 45.4 10.4 8.1 210 210 A T T 3 S- 0 0 84 -142,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.671 104.9 -6.1 -72.2 -14.6 49.1 9.8 9.0 211 211 A S S < S- 0 0 38 -3,-0.5 3,-0.5 3,-0.0 -3,-0.2 -0.933 77.6 -96.2-162.0 171.6 48.5 6.5 10.8 212 212 A D S S+ 0 0 63 -2,-0.3 -165,-2.7 1,-0.2 -164,-0.3 0.557 125.6 36.4 -77.9 -6.4 45.7 4.2 11.9 213 213 A T S S+ 0 0 81 -167,-0.2 -1,-0.2 -166,-0.1 -4,-0.1 0.393 88.4 124.1-119.7 -0.2 45.8 5.8 15.4 214 214 A A - 0 0 15 -3,-0.5 -6,-1.7 -6,-0.3 2,-0.3 -0.246 34.6-175.3 -71.0 153.2 46.7 9.4 14.6 215 215 A T E -N 207 0F 70 -8,-0.3 2,-0.3 -6,-0.0 -8,-0.2 -0.913 5.9-170.3-137.3 166.5 44.6 12.4 15.8 216 216 A Q E -N 206 0F 81 -10,-2.3 -10,-1.8 -2,-0.3 2,-0.5 -0.979 19.5-132.7-155.2 146.7 44.6 16.1 15.3 217 217 A T E +N 205 0F 83 -2,-0.3 2,-0.3 -12,-0.2 -14,-0.1 -0.945 34.7 178.4-106.6 127.7 42.8 19.1 16.8 218 218 A L E -N 204 0F 29 -14,-2.3 -14,-2.8 -2,-0.5 2,-0.4 -0.833 23.2-144.1-130.9 161.3 41.3 21.6 14.3 219 219 A N + 0 0 98 -2,-0.3 -17,-0.2 -17,-0.2 2,-0.2 -0.980 45.7 86.4-121.8 136.3 39.4 24.9 14.0 220 220 A G S >> S- 0 0 2 -19,-2.8 3,-1.5 -2,-0.4 4,-0.9 -0.733 80.6 -90.7 155.9 161.9 36.9 25.8 11.3 221 221 A T H 3> S+ 0 0 1 1,-0.3 4,-2.0 -2,-0.2 3,-0.1 0.770 120.0 70.8 -66.0 -19.2 33.3 25.7 10.0 222 222 A S H 34 S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.2 -94,-0.1 0.760 99.3 47.0 -63.1 -23.1 34.5 22.5 8.4 223 223 A M H <4 S+ 0 0 8 -3,-1.5 4,-0.4 -22,-0.2 -1,-0.2 0.677 109.3 52.7 -89.3 -25.7 34.6 21.0 11.9 224 224 A A H >X S+ 0 0 0 -4,-0.9 3,-1.3 -23,-0.2 4,-1.1 0.910 100.0 63.8 -72.2 -45.6 31.1 22.3 12.8 225 225 A T H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.3 3,-0.5 0.868 95.0 55.3 -51.6 -50.8 29.4 20.9 9.8 226 226 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.780 99.9 62.0 -62.1 -21.3 30.0 17.1 10.5 227 227 A H H <> S+ 0 0 3 -3,-1.3 4,-1.8 -4,-0.4 -2,-0.2 0.960 107.8 44.1 -63.6 -43.5 28.3 17.5 13.9 228 228 A V H X S+ 0 0 43 -4,-2.1 4,-1.4 1,-0.2 3,-0.5 0.927 110.4 52.4 -69.8 -44.7 17.3 11.3 13.0 236 236 A L H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.783 98.6 65.9 -65.1 -27.6 17.2 9.2 9.8 237 237 A E H 3< S+ 0 0 36 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.945 112.7 32.8 -58.8 -42.4 17.9 6.0 11.7 238 238 A Q H << S+ 0 0 97 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.650 132.3 34.1 -87.6 -16.5 14.6 6.4 13.5 239 239 A N >< + 0 0 66 -4,-1.4 3,-2.0 -5,-0.1 -1,-0.2 -0.493 65.7 162.7-133.9 61.6 12.8 8.0 10.5 240 240 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.652 73.7 58.5 -65.5 -14.3 14.3 6.5 7.4 241 241 A S T 3 S+ 0 0 120 -119,-0.1 -5,-0.1 -120,-0.1 -2,-0.0 0.536 79.1 120.2 -85.7 -13.6 11.4 7.6 5.2 242 242 A A < - 0 0 27 -3,-2.0 -3,-0.1 -6,-0.1 -6,-0.0 -0.262 60.4-129.9 -58.6 137.9 11.9 11.3 6.0 243 243 A T > - 0 0 76 1,-0.1 4,-2.0 -94,-0.0 3,-0.4 -0.412 28.9-104.5 -76.6 158.7 12.7 13.7 3.1 244 244 A P H > S+ 0 0 20 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.909 122.7 57.3 -52.1 -41.0 15.6 16.2 3.4 245 245 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.923 107.6 46.2 -58.3 -42.7 13.1 18.9 4.0 246 246 A S H > S+ 0 0 58 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.868 111.5 51.4 -67.9 -36.1 11.7 17.1 7.1 247 247 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.957 111.1 47.6 -63.8 -49.9 15.2 16.3 8.5 248 248 A A H X S+ 0 0 21 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.918 111.9 51.1 -56.6 -42.0 16.3 19.9 8.2 249 249 A S H X S+ 0 0 58 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.882 108.6 50.6 -67.7 -33.0 13.0 21.0 9.9 250 250 A A H X S+ 0 0 23 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.916 113.2 45.4 -69.9 -41.7 13.4 18.6 12.8 251 251 A I H X S+ 0 0 2 -4,-2.3 4,-0.7 -5,-0.2 22,-0.2 0.938 116.5 44.4 -68.1 -42.1 17.0 19.7 13.4 252 252 A L H >< S+ 0 0 34 -4,-2.7 3,-0.8 -5,-0.2 -2,-0.2 0.939 115.2 47.0 -72.8 -41.8 16.1 23.4 13.2 253 253 A N H 3< S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.856 115.6 47.2 -64.6 -26.4 13.0 23.2 15.2 254 254 A G H 3< S+ 0 0 18 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.558 88.4 118.9 -91.3 -5.7 14.8 21.1 17.8 255 255 A A S << S- 0 0 7 -3,-0.8 2,-0.4 -4,-0.7 17,-0.2 -0.141 73.6-105.6 -62.7 150.6 17.8 23.4 18.0 256 256 A T E -J 271 0B 1 15,-2.9 15,-2.2 -241,-0.1 2,-0.4 -0.581 43.8-157.0 -74.2 128.3 18.8 25.2 21.2 257 257 A T E +J 270 0B 82 -2,-0.4 13,-0.2 13,-0.2 -1,-0.0 -0.859 56.2 15.3-117.3 150.2 17.9 28.9 20.9 258 258 A G S S+ 0 0 56 11,-1.6 -1,-0.2 -2,-0.4 12,-0.1 0.488 89.1 102.8 85.1 3.1 19.1 32.1 22.6 259 259 A R + 0 0 94 10,-0.3 2,-0.2 -3,-0.2 -2,-0.1 0.635 57.5 90.8 -94.5 -11.8 22.3 30.8 24.0 260 260 A L - 0 0 13 9,-0.1 2,-0.3 -76,-0.0 -76,-0.2 -0.549 56.0-154.9 -93.6 150.6 24.9 32.2 21.6 261 261 A S B +m 184 0E 67 -78,-2.3 -76,-1.8 -2,-0.2 -2,-0.0 -0.897 69.3 13.5-116.8 152.5 26.7 35.5 21.7 262 262 A G S S+ 0 0 59 -2,-0.3 -1,-0.2 -78,-0.2 -78,-0.1 0.728 71.0 145.6 69.0 27.6 28.2 37.6 18.9 263 263 A I - 0 0 20 -3,-0.2 -71,-0.5 1,-0.2 -1,-0.1 0.683 50.4-128.3 -79.7 -17.8 26.5 35.8 16.0 264 264 A G > - 0 0 35 -73,-0.1 3,-1.5 3,-0.1 -72,-0.2 -0.018 37.2 -38.7 95.2 163.3 26.1 38.8 13.8 265 265 A S T 3 S+ 0 0 112 1,-0.3 -72,-0.2 -74,-0.1 -74,-0.0 -0.397 125.1 9.5 -67.9 136.6 23.2 40.5 11.9 266 266 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 -74,-0.2 -71,-0.1 0.183 94.8 131.9 79.0 -13.4 20.7 38.2 10.2 267 267 A S < - 0 0 16 -3,-1.5 2,-0.3 1,-0.1 -1,-0.3 -0.435 58.5-124.1 -71.1 142.3 22.2 35.1 12.0 268 268 A P - 0 0 24 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 -0.598 16.6-128.6 -79.3 140.4 19.7 32.7 13.7 269 269 A N + 0 0 51 -2,-0.3 -11,-1.6 -72,-0.1 2,-0.4 -0.516 62.9 133.2 -89.8 73.4 20.4 32.1 17.4 270 270 A R E - J 0 257B 82 -2,-1.8 -72,-2.2 -13,-0.2 2,-0.4 -0.992 36.2-169.8-130.4 129.8 20.3 28.4 17.0 271 271 A L E -iJ 198 256B 0 -15,-2.2 -15,-2.9 -2,-0.4 -72,-0.2 -0.971 37.5 -96.8-122.4 132.7 22.8 25.8 18.3 272 272 A L - 0 0 0 -74,-2.3 2,-0.4 -2,-0.4 -20,-0.1 -0.179 37.2-169.7 -50.2 135.9 22.8 22.2 17.3 273 273 A Y - 0 0 39 -22,-0.2 -259,-0.2 -259,-0.1 -260,-0.1 -0.996 8.5-163.9-129.9 131.8 20.9 19.8 19.7 274 274 A S + 0 0 7 -261,-2.4 2,-1.9 -2,-0.4 -260,-0.2 0.674 67.2 84.9 -96.7 -17.1 21.3 16.1 19.2 275 275 A L 0 0 58 -262,-0.4 -1,-0.2 -21,-0.1 -249,-0.0 -0.440 360.0 360.0 -92.0 68.6 18.4 14.6 21.3 276 276 A L 0 0 63 -2,-1.9 -25,-0.1 -45,-0.1 -26,-0.0 -0.749 360.0 360.0 -89.8 360.0 15.7 14.9 18.8