==== 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 HYDROLASE 29-JUN-06 2HIH . COMPND 2 MOLECULE: LIPASE 46 KDA FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS HYICUS; . AUTHOR J.J.W.TIESINGA,G.VAN POUDEROYEN,M.NARDINI,B.W.DIJKSTRA . 773 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 52 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 6 2 0 6 0 1 5 0 0 2 2 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 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 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 7 A A 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.9 44.0 27.4 -9.7 2 8 A V - 0 0 37 1,-0.1 45,-0.1 3,-0.0 46,-0.1 -0.012 360.0-139.1 -59.5 136.8 41.5 28.9 -7.2 3 9 A Q - 0 0 159 1,-0.2 -1,-0.1 44,-0.1 3,-0.1 -0.254 34.4 -80.8 -80.3 171.4 42.3 28.8 -3.5 4 10 A N - 0 0 41 1,-0.1 -1,-0.2 48,-0.1 48,-0.1 -0.380 60.4 -89.5 -67.9 155.1 39.9 28.0 -0.7 5 11 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 43,-0.0 -0.346 18.3-137.0 -68.6 147.4 37.6 30.9 0.4 6 12 A E S S+ 0 0 193 1,-0.3 -2,-0.0 -3,-0.1 46,-0.0 0.945 106.7 25.9 -58.3 -50.6 38.6 33.4 3.1 7 13 A N S S- 0 0 142 44,-0.0 -1,-0.3 -3,-0.0 2,-0.1 -0.821 90.1-160.3-121.4 87.5 35.0 33.0 4.5 8 14 A P - 0 0 35 0, 0.0 43,-0.2 0, 0.0 42,-0.1 -0.398 21.4-135.5 -78.3 146.3 33.6 29.6 3.5 9 15 A K S S+ 0 0 121 41,-2.7 2,-0.3 -2,-0.1 42,-0.2 0.735 91.0 62.6 -71.2 -23.9 29.9 28.8 3.5 10 16 A N - 0 0 2 40,-0.4 42,-0.1 1,-0.1 4,-0.1 -0.822 63.8-159.4-103.5 143.4 30.5 25.5 5.2 11 17 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.634 85.5 59.6 -92.9 -17.1 32.0 25.1 8.7 12 18 A D S S- 0 0 4 100,-0.0 100,-0.2 98,-0.0 -1,-0.2 -0.962 93.1-124.1-111.9 116.5 33.1 21.5 8.1 13 19 A P - 0 0 11 0, 0.0 100,-2.7 0, 0.0 2,-0.7 -0.255 18.7-121.0 -58.7 142.4 35.5 21.2 5.1 14 20 A F E -ab 53 113A 1 38,-2.4 40,-2.2 98,-0.2 2,-0.6 -0.783 28.7-166.1 -83.6 116.2 34.5 18.8 2.3 15 21 A V E -ab 54 114A 0 98,-3.5 100,-2.5 -2,-0.7 2,-0.4 -0.921 4.0-156.2-108.2 117.9 37.2 16.1 2.0 16 22 A F E -ab 55 115A 7 38,-2.9 40,-2.5 -2,-0.6 2,-0.5 -0.753 3.1-160.4 -95.7 137.2 37.1 14.1 -1.2 17 23 A V E -ab 56 116A 0 98,-2.2 100,-2.0 -2,-0.4 103,-0.2 -0.945 8.4-148.0-124.7 110.4 38.6 10.6 -1.3 18 24 A H - 0 0 0 -2,-0.5 3,-0.1 38,-0.5 6,-0.0 -0.071 17.1-133.1 -68.5 176.0 39.5 9.1 -4.6 19 25 A G > - 0 0 0 1,-0.2 3,-1.4 100,-0.2 2,-0.2 0.032 47.2 -21.1-113.4-148.0 39.4 5.3 -5.3 20 26 A F T 3 S+ 0 0 38 1,-0.3 -1,-0.2 41,-0.1 41,-0.2 -0.467 128.9 4.4 -71.0 133.5 41.3 2.4 -6.7 21 27 A T T 3 S+ 0 0 73 39,-2.0 2,-0.4 1,-0.2 -1,-0.3 0.754 98.8 147.5 61.7 27.2 44.0 3.5 -9.2 22 28 A G < - 0 0 2 -3,-1.4 2,-0.4 38,-0.2 -1,-0.2 -0.756 28.4-172.2 -96.8 139.2 43.2 7.1 -8.5 23 29 A F + 0 0 21 -2,-0.4 11,-0.4 -3,-0.1 2,-0.3 -0.996 7.4 173.1-131.7 127.0 45.8 9.9 -8.5 24 30 A V > - 0 0 6 -2,-0.4 3,-0.9 34,-0.2 4,-0.1 -0.904 49.5 -4.8-129.2 161.3 45.2 13.5 -7.4 25 31 A G G > S- 0 0 49 -2,-0.3 3,-0.9 1,-0.2 31,-0.0 -0.364 125.4 -6.3 64.2-129.3 47.4 16.5 -6.9 26 32 A E G 3 S+ 0 0 199 1,-0.2 -1,-0.2 -2,-0.1 31,-0.0 -0.045 127.9 61.4-102.0 29.5 51.1 16.1 -7.4 27 33 A V G < S+ 0 0 61 -3,-0.9 177,-0.3 2,-0.1 -1,-0.2 0.239 90.4 92.1-117.9 -0.7 51.2 12.3 -7.9 28 34 A A S < S- 0 0 28 -3,-0.9 2,-0.2 -4,-0.1 -4,-0.1 -0.310 79.1-108.2 -83.6 173.7 49.0 12.7 -11.0 29 35 A A > - 0 0 31 -6,-0.1 3,-1.5 -2,-0.1 -1,-0.1 -0.524 53.9 -54.4-102.8 168.7 50.3 13.1 -14.5 30 36 A K T 3 S- 0 0 160 1,-0.3 -2,-0.1 -2,-0.2 558,-0.0 0.512 122.5 -18.3 3.0 -88.3 50.4 16.0 -17.0 31 37 A G T 3 S+ 0 0 54 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.065 89.5 140.1-129.8 25.0 46.7 17.0 -17.0 32 38 A E < - 0 0 88 -3,-1.5 2,-0.5 1,-0.0 -4,-0.1 -0.550 30.2-167.8 -71.3 132.1 44.8 14.1 -15.6 33 39 A N > - 0 0 36 -2,-0.3 4,-1.4 1,-0.2 3,-0.3 -0.963 10.9-171.4-124.9 110.4 42.0 15.2 -13.3 34 40 A Y T 4 S+ 0 0 23 -2,-0.5 2,-1.7 -11,-0.4 -1,-0.2 0.986 80.8 54.1 -65.5 -57.1 40.4 12.5 -11.2 35 41 A W T 4 S- 0 0 1 1,-0.2 7,-1.4 2,-0.1 8,-0.4 -0.550 132.6 -0.8 -84.0 80.6 37.5 14.7 -9.8 36 42 A G T >> S- 0 0 0 317,-2.3 4,-1.5 -2,-1.7 3,-1.1 0.050 83.9-152.0 133.6 -25.1 36.0 16.0 -13.0 37 43 A G T 3< - 0 0 14 -4,-1.4 318,-0.2 1,-0.2 317,-0.1 -0.323 66.8 -33.9 60.5-140.1 38.1 14.6 -15.8 38 44 A T T 34 S+ 0 0 66 316,-0.6 -1,-0.2 1,-0.1 317,-0.1 0.603 135.7 68.7 -83.4 -15.0 38.1 16.7 -19.0 39 45 A K T <4 S- 0 0 36 -3,-1.1 2,-0.3 315,-0.7 -2,-0.2 0.859 111.2 -10.3 -80.2 -37.1 34.6 17.8 -18.4 40 46 A A < - 0 0 19 -4,-1.5 2,-0.8 313,-0.2 -1,-0.2 -0.996 49.3-126.9-158.6 157.3 35.0 19.9 -15.3 41 47 A N > - 0 0 66 -2,-0.3 4,-2.0 1,-0.1 -5,-0.2 -0.868 28.0-175.7-104.9 94.1 37.4 21.0 -12.5 42 48 A L H > S+ 0 0 3 -7,-1.4 4,-2.3 -2,-0.8 5,-0.2 0.746 79.5 56.6 -66.6 -25.9 35.2 20.3 -9.4 43 49 A R H > S+ 0 0 53 -8,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.940 110.8 43.7 -69.8 -46.8 37.7 21.7 -7.0 44 50 A N H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.856 115.8 49.6 -60.4 -38.0 37.7 25.1 -8.8 45 51 A H H X S+ 0 0 46 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.922 111.9 44.4 -73.6 -46.8 33.9 25.0 -9.1 46 52 A L H <>S+ 0 0 3 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.845 116.6 47.3 -64.6 -37.1 33.1 24.1 -5.4 47 53 A R H ><5S+ 0 0 27 -4,-1.8 3,-1.1 -5,-0.2 -2,-0.2 0.862 110.1 51.0 -76.4 -37.2 35.6 26.7 -4.2 48 54 A K H 3<5S+ 0 0 168 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.760 105.9 59.2 -64.7 -26.3 34.4 29.4 -6.5 49 55 A A T 3<5S- 0 0 36 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.510 129.0 -98.4 -81.5 -6.1 30.9 28.5 -5.2 50 56 A G T < 5S+ 0 0 15 -3,-1.1 -41,-2.7 1,-0.3 -40,-0.4 0.470 79.7 128.1 107.2 5.1 32.1 29.4 -1.6 51 57 A Y < - 0 0 9 -5,-2.4 2,-0.7 -43,-0.2 -1,-0.3 -0.709 56.9-129.2-100.0 146.4 33.0 26.0 -0.1 52 58 A E + 0 0 38 -2,-0.3 -38,-2.4 -48,-0.1 2,-0.3 -0.823 42.9 168.2 -90.3 111.1 36.2 24.9 1.6 53 59 A T E -a 14 0A 0 -2,-0.7 2,-0.3 -40,-0.2 -38,-0.2 -0.858 21.1-169.6-126.3 158.3 37.3 21.6 -0.1 54 60 A Y E -a 15 0A 27 -40,-2.2 -38,-2.9 -2,-0.3 2,-0.6 -0.990 17.1-142.6-142.8 147.0 40.3 19.3 -0.3 55 61 A E E -a 16 0A 15 -2,-0.3 -38,-0.2 -40,-0.2 -40,-0.1 -0.932 26.9-139.4-111.2 106.6 41.2 16.3 -2.5 56 62 A A E -a 17 0A 0 -40,-2.5 2,-0.6 -2,-0.6 -38,-0.5 -0.282 5.8-143.7 -65.6 148.2 43.0 13.7 -0.4 57 63 A S + 0 0 22 13,-0.2 2,-0.3 -40,-0.1 -1,-0.1 -0.933 33.4 154.1-118.4 107.0 46.0 11.9 -1.9 58 64 A V - 0 0 9 -2,-0.6 -34,-0.2 -36,-0.1 9,-0.1 -0.817 50.2 -65.5-127.6 168.0 46.2 8.2 -0.9 59 65 A S - 0 0 7 -2,-0.3 147,-0.2 1,-0.1 -37,-0.2 -0.165 34.7-145.2 -56.9 144.1 47.8 5.1 -2.4 60 66 A A S S+ 0 0 3 145,-0.2 -39,-2.0 144,-0.2 -38,-0.2 0.879 94.5 18.7 -77.3 -41.0 46.3 3.8 -5.6 61 67 A L S S+ 0 0 0 144,-1.8 178,-2.2 -41,-0.2 179,-0.4 0.529 98.7 109.1-110.3 -10.1 46.7 0.1 -5.1 62 68 A A S S- 0 0 0 143,-0.3 176,-0.2 144,-0.2 145,-0.1 -0.083 74.3 -88.3 -70.3 169.1 47.2 -0.2 -1.3 63 69 A S > - 0 0 1 174,-0.5 4,-2.6 175,-0.1 176,-0.2 -0.201 36.0-107.8 -70.4 165.3 44.7 -1.6 1.2 64 70 A N H > S+ 0 0 0 174,-0.2 4,-2.2 2,-0.2 5,-0.2 0.807 120.9 58.1 -64.8 -29.9 42.0 0.4 2.8 65 71 A H H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.975 109.3 42.9 -60.4 -57.4 44.0 0.2 6.1 66 72 A E H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 118.3 46.1 -48.6 -51.8 47.0 1.8 4.4 67 73 A R H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.774 108.3 54.7 -69.6 -30.3 44.8 4.4 2.7 68 74 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.866 111.2 46.0 -72.0 -36.4 42.7 5.2 5.8 69 75 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.924 110.4 52.7 -68.5 -46.7 45.9 6.0 7.7 70 76 A E H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.845 107.0 54.5 -57.6 -34.5 47.3 8.0 4.9 71 77 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.889 105.6 51.9 -66.6 -42.1 44.0 10.0 4.9 72 78 A Y H X S+ 0 0 8 -4,-1.4 4,-3.3 1,-0.2 5,-0.3 0.931 115.2 40.9 -58.8 -47.9 44.4 10.8 8.6 73 79 A Y H X S+ 0 0 24 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.756 107.2 62.7 -76.9 -25.4 48.0 12.1 8.1 74 80 A Y H < S+ 0 0 25 -4,-1.9 28,-1.6 -5,-0.2 27,-0.3 0.916 117.5 30.5 -60.6 -42.6 47.0 13.9 4.8 75 81 A L H < S+ 0 0 0 -4,-1.8 28,-2.3 26,-0.2 -2,-0.2 0.955 131.2 33.7 -78.8 -55.4 44.7 16.0 6.9 76 82 A K H < S- 0 0 56 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.721 103.8-132.4 -81.0 -21.0 46.4 16.1 10.2 77 83 A G < + 0 0 20 -4,-1.9 2,-0.2 -5,-0.3 23,-0.2 0.349 50.7 98.9 80.7 145.4 50.0 16.1 8.9 78 84 A G E S-G 99 0B 29 21,-2.2 21,-1.8 -5,-0.2 2,-0.6 -0.796 75.2 -42.0 135.1-178.1 52.9 14.0 10.0 79 85 A R E -G 98 0B 148 19,-0.2 19,-0.3 -2,-0.2 18,-0.1 -0.763 65.2-111.6 -89.3 119.5 54.9 10.8 9.2 80 86 A V E - 0 0 0 17,-2.7 16,-1.8 -2,-0.6 2,-0.5 -0.246 31.9-170.2 -54.5 127.1 52.6 8.0 8.1 81 87 A D E -G 95 0B 10 14,-0.2 14,-0.2 -12,-0.1 3,-0.1 -0.921 9.6-174.0-123.9 102.0 52.5 5.1 10.7 82 88 A Y - 0 0 11 12,-2.8 13,-0.1 -2,-0.5 4,-0.1 0.564 57.6 -88.0 -73.5 -10.2 50.7 2.0 9.3 83 89 A G > - 0 0 0 11,-0.4 4,-2.1 3,-0.1 5,-0.2 0.236 21.5-118.1 107.9 132.3 51.0 0.3 12.7 84 90 A A H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.924 113.9 41.2 -63.9 -46.7 53.7 -1.9 14.2 85 91 A A H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.938 116.2 47.7 -68.3 -50.1 51.5 -5.0 14.6 86 92 A H H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.904 114.7 47.2 -57.3 -44.3 49.7 -4.6 11.2 87 93 A S H X>S+ 0 0 5 -4,-2.1 5,-2.2 2,-0.2 4,-1.1 0.849 112.7 48.4 -68.9 -37.5 53.0 -4.1 9.4 88 94 A E H <5S+ 0 0 136 -4,-1.9 -2,-0.2 -5,-0.2 3,-0.2 0.946 111.5 51.0 -65.0 -48.3 54.7 -7.0 11.2 89 95 A K H <5S+ 0 0 146 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.0 35.2 -58.1 -48.0 51.7 -9.3 10.4 90 96 A Y H <5S- 0 0 52 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.597 111.0-118.6 -88.9 -11.2 51.5 -8.6 6.7 91 97 A G T <5 + 0 0 38 -4,-1.1 140,-0.5 1,-0.2 2,-0.3 0.938 67.1 115.7 79.3 50.4 55.3 -8.2 6.2 92 98 A H < - 0 0 20 -5,-2.2 -1,-0.2 -6,-0.1 118,-0.2 -0.906 69.5 -65.7-141.6 172.1 55.7 -4.7 5.1 93 99 A E - 0 0 93 116,-3.1 -11,-0.1 -2,-0.3 116,-0.1 -0.220 33.1-148.6 -58.8 144.5 57.3 -1.3 6.1 94 100 A R S S+ 0 0 54 -13,-0.1 -12,-2.8 1,-0.1 -11,-0.4 0.844 77.6 55.2 -84.0 -37.1 55.8 0.4 9.1 95 101 A Y E +G 81 0B 86 -14,-0.2 -14,-0.2 -13,-0.1 2,-0.1 -0.814 61.3 177.0-107.9 139.1 56.4 4.0 8.0 96 102 A G E - 0 0 25 -16,-1.8 -1,-0.1 1,-0.4 -2,-0.1 -0.094 44.7 -39.4-112.1-147.7 55.3 5.7 4.8 97 103 A K E - 0 0 103 -18,-0.1 -17,-2.7 -2,-0.1 2,-0.4 0.024 55.1-118.5 -68.7-178.8 55.6 9.2 3.4 98 104 A T E -G 79 0B 97 -19,-0.3 -19,-0.2 -3,-0.1 2,-0.2 -0.980 23.3-156.8-127.4 121.3 55.1 12.4 5.5 99 105 A Y E -G 78 0B 45 -21,-1.8 -21,-2.2 -2,-0.4 -25,-0.1 -0.587 17.4-135.3 -89.3 156.7 52.3 14.8 4.6 100 106 A E - 0 0 166 -23,-0.2 -1,-0.1 -2,-0.2 -26,-0.1 0.911 47.3-114.7 -76.0 -45.1 52.4 18.5 5.5 101 107 A G - 0 0 12 -27,-0.3 3,-0.4 -24,-0.1 -26,-0.2 0.545 23.6-158.4 106.3 105.8 48.8 18.6 6.8 102 108 A V S S+ 0 0 55 -28,-1.6 2,-0.2 1,-0.3 -27,-0.2 0.695 95.2 30.0 -84.9 -21.8 46.0 20.6 5.1 103 109 A L > + 0 0 24 -28,-2.3 3,-1.4 -29,-0.2 -1,-0.3 -0.631 63.7 161.9-136.4 77.7 43.9 20.6 8.2 104 110 A K T 3 S+ 0 0 124 -3,-0.4 -1,-0.1 1,-0.3 -28,-0.1 0.777 75.8 63.3 -67.0 -25.4 46.1 20.5 11.3 105 111 A D T 3 S+ 0 0 110 -3,-0.1 2,-0.3 -30,-0.1 -1,-0.3 0.520 70.8 128.0 -77.0 -7.5 43.2 21.8 13.4 106 112 A W < + 0 0 4 -3,-1.4 54,-0.1 -31,-0.2 -3,-0.1 -0.352 33.6 121.9 -55.7 112.6 41.2 18.7 12.7 107 113 A K B > S-H 110 0C 95 3,-0.7 3,-2.4 -2,-0.3 -2,-0.0 -0.946 71.0 -49.2-160.8 171.6 40.1 17.4 16.1 108 114 A P T 3 S+ 0 0 64 0, 0.0 52,-0.2 0, 0.0 51,-0.2 -0.306 127.2 26.8 -51.6 133.1 36.9 16.5 18.0 109 115 A G T 3 S+ 0 0 53 50,-2.0 51,-0.1 49,-0.1 50,-0.1 0.045 112.3 69.7 99.9 -25.4 34.6 19.5 17.7 110 116 A H B < S+H 107 0C 110 -3,-2.4 -3,-0.7 49,-0.2 50,-0.1 -0.647 77.1 173.3-122.1 74.0 36.0 20.7 14.4 111 117 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 50,-0.2 0.070 21.1-134.9 -82.9-174.2 34.8 17.9 12.1 112 118 A V E - c 0 161A 1 48,-1.1 50,-2.8 -100,-0.2 51,-0.8 -0.951 15.4-120.3-142.0 149.6 34.8 17.2 8.3 113 119 A H E -bc 14 163A 0 -100,-2.7 -98,-3.5 -2,-0.3 2,-0.7 -0.890 29.2-154.3 -91.2 120.7 32.5 16.0 5.6 114 120 A F E -bc 15 164A 0 49,-2.6 51,-2.7 -2,-0.6 2,-0.5 -0.860 14.3-179.6-100.4 109.7 34.0 12.9 4.0 115 121 A I E -bc 16 165A 0 -100,-2.5 -98,-2.2 -2,-0.7 2,-0.4 -0.938 8.9-175.9-106.4 127.9 32.8 12.3 0.4 116 122 A G E -bc 17 166A 0 49,-2.6 51,-1.8 -2,-0.5 2,-0.4 -0.951 14.8-156.8-126.4 144.8 34.3 9.2 -1.3 117 123 A H E > - c 0 167A 1 -100,-2.0 3,-2.3 -2,-0.4 51,-0.2 -0.948 64.4 -30.2-116.5 140.3 34.0 7.7 -4.8 118 124 A S T > S+ 0 0 6 49,-2.7 3,-1.8 -2,-0.4 4,-0.4 -0.297 138.1 0.3 57.2-131.4 34.6 4.0 -5.6 119 125 A M T >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-0.7 0.671 121.1 78.9 -63.2 -16.9 37.1 2.5 -3.1 120 126 A G H <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.808 85.4 61.3 -59.7 -29.7 37.3 5.9 -1.4 121 127 A G H <> S+ 0 0 0 -3,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.833 105.0 46.1 -66.4 -34.9 34.0 5.1 0.3 122 128 A Q H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.4 -2,-0.2 0.886 110.2 54.2 -70.1 -42.5 35.5 2.0 2.0 123 129 A T H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.877 107.7 50.3 -60.8 -40.9 38.6 4.0 3.1 124 130 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.949 110.4 48.4 -62.3 -52.0 36.4 6.7 4.8 125 131 A R H X S+ 0 0 6 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.840 111.7 50.4 -56.2 -38.0 34.4 4.1 6.8 126 132 A L H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.832 109.6 50.9 -74.0 -33.1 37.6 2.4 7.9 127 133 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.921 107.6 51.7 -68.2 -45.4 39.2 5.7 9.0 128 134 A E H X S+ 0 0 8 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.815 108.6 54.1 -61.5 -29.8 36.1 6.6 11.1 129 135 A H H X>S+ 0 0 27 -4,-1.2 4,-3.0 -5,-0.2 5,-0.7 0.956 109.4 45.0 -67.6 -51.3 36.4 3.2 12.7 130 136 A Y H X5S+ 0 0 10 -4,-1.8 4,-0.8 1,-0.2 25,-0.2 0.825 111.5 54.6 -63.2 -34.4 40.0 3.7 13.8 131 137 A L H <5S+ 0 0 2 -4,-2.3 26,-2.5 2,-0.1 -1,-0.2 0.943 117.8 34.4 -61.0 -46.6 39.2 7.2 15.0 132 138 A R H <5S+ 0 0 42 -4,-1.7 24,-1.8 24,-0.2 -2,-0.2 0.916 138.7 13.3 -80.6 -47.1 36.5 6.0 17.3 133 139 A F H <5S- 0 0 90 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.579 87.2-153.8-107.0 -15.1 37.7 2.6 18.5 134 140 A G << - 0 0 3 -4,-0.8 2,-0.4 -5,-0.7 -1,-0.3 -0.444 42.9 -61.6 68.6-148.9 41.3 2.6 17.5 135 141 A D > - 0 0 26 18,-2.1 4,-1.7 -2,-0.1 3,-0.4 -0.949 35.9-157.9-137.4 114.7 42.8 -0.8 16.9 136 142 A K H > S+ 0 0 179 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.854 93.6 58.4 -60.9 -36.1 42.9 -3.3 19.8 137 143 A A H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 106.2 48.7 -62.1 -38.6 45.8 -5.3 18.1 138 144 A E H > S+ 0 0 7 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.900 111.7 48.3 -67.6 -42.5 48.0 -2.2 18.1 139 145 A I H X S+ 0 0 56 -4,-1.7 4,-1.3 14,-0.3 -2,-0.2 0.895 113.5 47.8 -63.7 -41.3 47.3 -1.3 21.7 140 146 A A H X S+ 0 0 53 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.842 109.9 53.8 -67.6 -35.4 48.1 -4.9 22.7 141 147 A Y H X S+ 0 0 50 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.903 111.9 42.0 -68.2 -42.6 51.2 -4.9 20.7 142 148 A Q H X S+ 0 0 65 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.673 111.7 56.2 -82.4 -17.0 52.7 -1.8 22.3 143 149 A Q H < S+ 0 0 154 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.884 117.0 37.4 -70.2 -40.0 51.5 -3.0 25.8 144 150 A Q H < S+ 0 0 148 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.891 134.9 19.6 -79.0 -43.6 53.5 -6.2 25.1 145 151 A H H < S- 0 0 117 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.1 0.486 94.1-141.1-110.6 -8.5 56.6 -4.8 23.3 146 152 A G < + 0 0 35 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.377 47.8 118.5 74.6-157.7 56.6 -1.1 24.2 147 153 A G S S- 0 0 61 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.360 71.5 -45.6 86.5-173.7 57.5 1.6 21.7 148 154 A I - 0 0 138 -2,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.708 47.6-155.5 -97.8 143.2 55.3 4.4 20.5 149 155 A I - 0 0 24 -2,-0.3 2,-0.1 -66,-0.1 5,-0.0 -0.950 23.9-110.2-118.4 142.3 51.7 4.1 19.3 150 156 A S >> - 0 0 9 -2,-0.4 4,-1.2 1,-0.1 3,-0.9 -0.376 19.3-126.0 -68.7 142.3 49.8 6.4 17.0 151 157 A E H 3> S+ 0 0 119 1,-0.3 4,-0.9 2,-0.2 3,-0.2 0.831 111.5 60.9 -52.4 -34.3 47.1 8.6 18.3 152 158 A L H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -18,-0.2 0.822 105.5 43.1 -66.2 -35.9 44.9 7.1 15.6 153 159 A F H <4 S+ 0 0 0 -3,-0.9 -18,-2.1 1,-0.2 -14,-0.3 0.592 100.7 70.5 -90.1 -11.8 45.2 3.5 16.9 154 160 A K H < S- 0 0 122 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.833 90.4-163.7 -67.5 -35.4 44.7 4.6 20.6 155 161 A G < + 0 0 15 -4,-0.9 -22,-0.2 -25,-0.2 -23,-0.2 -0.270 53.7 110.6 83.3-168.7 41.1 5.3 19.7 156 162 A G + 0 0 74 -24,-1.8 2,-0.7 1,-0.2 -24,-0.2 0.725 48.2 130.2 71.6 24.0 38.6 7.4 21.7 157 163 A Q + 0 0 26 -26,-2.5 3,-0.2 -27,-0.2 -1,-0.2 -0.762 28.9 156.4-114.6 84.8 38.6 10.1 19.0 158 164 A D + 0 0 50 -2,-0.7 -49,-0.1 1,-0.2 -30,-0.0 -0.397 44.0 47.5-101.3 177.3 34.9 10.9 18.1 159 165 A N S S+ 0 0 92 2,-0.2 -50,-2.0 -51,-0.2 -49,-0.2 0.832 76.7 109.2 60.9 37.0 33.1 13.9 16.6 160 166 A M + 0 0 2 -3,-0.2 -48,-1.1 1,-0.2 2,-0.4 0.510 69.7 53.8-115.9 -13.8 35.7 14.4 13.8 161 167 A V E -c 112 0A 12 -50,-0.2 -1,-0.2 1,-0.1 -48,-0.2 -0.993 54.5-179.7-123.5 129.1 33.5 13.3 10.9 162 168 A T E S+ 0 0 16 -50,-2.8 100,-1.8 -2,-0.4 2,-0.3 0.879 70.2 8.4 -88.0 -48.9 30.1 14.9 10.3 163 169 A S E -cd 113 262A 0 -51,-0.8 -49,-2.6 98,-0.2 2,-0.5 -0.975 53.8-153.1-139.0 147.9 28.9 13.0 7.2 164 170 A I E +cd 114 263A 0 98,-2.8 100,-1.6 -2,-0.3 2,-0.5 -0.979 20.2 178.9-121.9 115.9 30.0 10.0 5.2 165 171 A T E -cd 115 264A 0 -51,-2.7 -49,-2.6 -2,-0.5 2,-0.3 -0.934 5.9-168.4-125.3 108.7 28.9 10.2 1.6 166 172 A T E -cd 116 265A 0 98,-2.3 100,-2.0 -2,-0.5 2,-0.4 -0.696 6.7-160.0-101.7 148.5 29.8 7.4 -0.8 167 173 A I E S-cd 117 266A 0 -51,-1.8 -49,-2.7 -2,-0.3 100,-0.2 -0.969 75.6 -23.2-131.9 114.6 29.5 7.3 -4.6 168 174 A A S S+ 0 0 0 98,-3.5 99,-0.1 -2,-0.4 -1,-0.1 0.885 89.4 169.0 51.2 44.2 29.5 4.1 -6.6 169 175 A T - 0 0 0 147,-0.3 2,-2.2 97,-0.3 3,-0.2 -0.745 41.3-131.8 -90.8 128.4 31.3 2.4 -3.7 170 176 A P > + 0 0 2 0, 0.0 3,-1.0 0, 0.0 146,-0.2 -0.516 39.2 163.9 -74.1 77.3 31.7 -1.4 -3.7 171 177 A H T 3 S+ 0 0 0 -2,-2.2 81,-0.2 144,-1.3 145,-0.2 0.822 82.0 33.1 -63.3 -32.9 30.6 -1.7 -0.0 172 178 A N T 3 S- 0 0 11 143,-0.5 -1,-0.3 1,-0.4 77,-0.2 0.092 119.9-111.8-110.6 18.3 30.0 -5.4 -0.6 173 179 A G < - 0 0 0 -3,-1.0 -1,-0.4 142,-0.2 139,-0.4 -0.105 29.5 -99.2 78.6-177.3 32.8 -5.9 -3.1 174 180 A T >> - 0 0 4 69,-2.3 4,-1.6 137,-0.1 3,-1.3 -0.997 9.0-131.3-147.7 142.8 32.7 -6.7 -6.8 175 181 A H H 3>>S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.3 5,-0.5 0.738 102.5 78.0 -64.0 -23.8 33.0 -9.8 -9.0 176 182 A A H 34>S+ 0 0 12 134,-0.5 5,-3.0 1,-0.2 4,-0.4 0.835 104.9 33.1 -53.5 -35.1 35.4 -7.7 -11.1 177 183 A S H <4>S+ 0 0 5 -3,-1.3 5,-2.0 66,-0.4 -2,-0.2 0.911 116.3 54.5 -85.4 -53.0 38.0 -8.4 -8.4 178 184 A D H <5S+ 0 0 44 -4,-1.6 -2,-0.2 65,-0.3 -3,-0.1 0.910 124.9 22.7 -44.6 -54.9 37.0 -11.9 -7.4 179 185 A D T <5S+ 0 0 71 -4,-2.6 -1,-0.2 -5,-0.1 -3,-0.2 0.547 142.1 9.5 -99.2 -11.2 37.1 -13.3 -10.9 180 186 A I T > S- 0 0 42 -3,-1.3 4,-2.3 -6,-0.1 5,-0.4 -0.577 76.2-116.3 -72.2 146.5 43.4 -13.4 -9.8 184 190 A P H > S+ 0 0 52 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.861 112.5 51.2 -53.8 -37.2 47.0 -14.5 -9.5 185 191 A T H > S+ 0 0 37 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.911 114.7 38.9 -70.1 -46.1 47.7 -13.7 -13.2 186 192 A I H > S+ 0 0 16 -6,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.934 117.1 48.5 -69.9 -48.1 46.3 -10.2 -13.3 187 193 A R H X S+ 0 0 39 -4,-2.3 4,-2.7 -7,-0.2 5,-0.3 0.826 108.6 56.1 -66.6 -30.1 47.5 -9.0 -9.9 188 194 A N H X S+ 0 0 50 -4,-1.5 4,-1.9 -5,-0.4 -1,-0.2 0.958 108.8 46.6 -58.9 -51.9 51.0 -10.4 -10.8 189 195 A I H X S+ 0 0 45 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.901 115.7 46.2 -56.0 -45.1 51.0 -8.2 -13.9 190 196 A L H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.935 114.0 44.2 -67.7 -50.9 49.8 -5.2 -12.0 191 197 A Y H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.773 112.6 54.9 -67.5 -27.2 52.2 -5.4 -9.0 192 198 A S H X S+ 0 0 51 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.892 109.3 45.8 -70.8 -41.8 55.1 -6.1 -11.3 193 199 A F H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.842 112.4 52.4 -67.3 -34.7 54.4 -3.0 -13.4 194 200 A A H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 11,-0.3 0.839 110.2 47.3 -70.8 -34.5 54.0 -1.0 -10.1 195 201 A Q H X S+ 0 0 30 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.889 113.1 48.0 -73.2 -41.5 57.4 -2.3 -8.8 196 202 A M H X S+ 0 0 58 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.897 113.0 49.6 -62.8 -40.8 59.1 -1.5 -12.2 197 203 A S H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 6,-0.9 0.834 111.7 48.0 -68.0 -35.0 57.4 2.0 -12.0 198 204 A S H ><5S+ 0 0 4 -4,-1.7 3,-0.8 3,-0.2 -2,-0.2 0.912 110.2 51.6 -69.8 -44.8 58.6 2.6 -8.5 199 205 A H H 3<5S+ 0 0 34 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.867 113.7 44.0 -59.7 -40.5 62.2 1.5 -9.3 200 206 A L T 3<5S- 0 0 55 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.510 107.5-127.2 -82.6 -6.3 62.3 3.9 -12.2 201 207 A G T < 5S+ 0 0 57 -3,-0.8 -3,-0.2 -4,-0.3 3,-0.1 0.843 73.7 126.2 62.2 35.5 60.7 6.6 -10.2 202 208 A T S > + 0 0 2 -13,-0.1 3,-1.5 -146,-0.1 5,-0.5 0.064 28.8 114.8-135.0 23.6 53.1 0.5 -2.8 208 214 A D G > 5 + 0 0 37 1,-0.3 3,-2.1 2,-0.2 5,-0.5 0.751 65.1 74.0 -71.7 -22.1 56.7 1.5 -1.7 209 215 A H G 3 5S+ 0 0 11 1,-0.3 -116,-3.1 2,-0.1 -1,-0.3 0.592 87.7 65.7 -64.0 -8.9 56.0 0.2 1.8 210 216 A W G < 5S- 0 0 10 -3,-1.5 -1,-0.3 -118,-0.2 22,-0.2 0.308 125.5 -99.5 -94.6 6.4 56.3 -3.3 0.1 211 217 A G T < 5S+ 0 0 12 -3,-2.1 -2,-0.1 19,-0.1 -3,-0.1 0.689 76.6 140.9 89.2 22.1 60.0 -2.7 -0.7 212 218 A F < + 0 0 1 -5,-0.5 2,-0.2 -4,-0.2 -4,-0.1 0.748 54.3 80.6 -69.9 -24.0 59.7 -1.6 -4.3 213 219 A K S S- 0 0 107 -5,-0.5 2,-0.5 1,-0.0 -14,-0.1 -0.567 88.5-117.9 -80.3 148.8 62.4 1.0 -3.8 214 220 A R - 0 0 94 -2,-0.2 3,-0.1 -15,-0.1 -2,-0.1 -0.786 28.2-124.6 -93.8 128.3 66.0 -0.2 -3.9 215 221 A K > - 0 0 109 -2,-0.5 3,-0.7 1,-0.1 2,-0.3 -0.007 37.5 -79.1 -65.7 173.0 68.0 0.3 -0.7 216 222 A D T 3 S+ 0 0 172 1,-0.3 -1,-0.1 0, 0.0 3,-0.1 -0.572 111.9 6.0 -82.1 132.6 71.4 2.1 -0.6 217 223 A G T 3 S+ 0 0 87 -2,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.945 94.6 148.5 60.8 49.2 74.5 0.2 -1.7 218 224 A E < - 0 0 28 -3,-0.7 -1,-0.2 -4,-0.1 -4,-0.0 -0.970 44.7-131.6-119.9 122.1 72.3 -2.7 -2.9 219 225 A S > - 0 0 58 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.243 24.9-116.4 -61.2 155.8 73.3 -4.9 -5.8 220 226 A L H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 115.4 60.5 -63.0 -34.3 70.6 -5.6 -8.4 221 227 A T H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.929 106.3 44.0 -58.0 -50.6 70.8 -9.3 -7.4 222 228 A D H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 112.2 54.7 -61.2 -41.1 69.8 -8.6 -3.8 223 229 A Y H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.914 109.8 45.0 -60.2 -46.4 67.0 -6.2 -5.0 224 230 A N H X S+ 0 0 67 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.743 112.3 54.7 -69.9 -23.2 65.5 -8.9 -7.3 225 231 A K H X S+ 0 0 86 -4,-1.3 4,-1.4 -5,-0.2 -2,-0.2 0.885 108.1 47.0 -75.7 -42.0 65.8 -11.3 -4.4 226 232 A R H X S+ 0 0 65 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.913 113.2 48.5 -65.6 -44.6 63.9 -9.1 -1.9 227 233 A I H < S+ 0 0 13 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.897 109.7 51.5 -63.6 -43.4 61.1 -8.4 -4.4 228 234 A A H < S+ 0 0 15 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.2 42.7 -61.6 -34.3 60.7 -12.1 -5.3 229 235 A E H < S+ 0 0 120 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.529 87.2 121.3 -92.5 -8.4 60.4 -13.0 -1.6 230 236 A S >< - 0 0 24 -4,-0.9 3,-0.6 -3,-0.5 4,-0.2 -0.187 68.5-130.3 -52.4 147.5 58.2 -10.0 -0.7 231 237 A K G >> S+ 0 0 138 -140,-0.5 4,-1.0 1,-0.2 3,-0.6 0.381 86.4 96.2 -82.6 6.2 54.8 -11.1 0.8 232 238 A I G 34 S+ 0 0 1 1,-0.2 -1,-0.2 -22,-0.2 3,-0.2 0.839 71.1 61.4 -67.8 -35.7 53.0 -8.8 -1.7 233 239 A W G <4 S+ 0 0 22 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.766 119.7 25.4 -68.4 -25.4 52.1 -11.5 -4.3 234 240 A D T <4 S+ 0 0 140 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.464 95.6 124.2-112.7 -5.9 50.0 -13.5 -1.9 235 241 A S < - 0 0 17 -4,-1.0 6,-0.1 -3,-0.2 3,-0.1 -0.199 51.2-156.1 -68.9 146.2 48.9 -10.9 0.6 236 242 A E S S+ 0 0 87 1,-0.2 2,-1.5 5,-0.1 -1,-0.1 0.446 80.9 92.6 -87.3 -6.2 45.4 -10.0 1.6 237 243 A D + 0 0 6 -147,-0.1 -174,-0.5 -174,-0.1 2,-0.3 -0.345 68.5 99.0 -86.1 54.7 46.7 -6.6 2.6 238 244 A T S > S- 0 0 0 -2,-1.5 4,-1.5 -176,-0.2 3,-0.3 -0.947 81.6-117.9-138.1 158.9 46.0 -5.1 -0.8 239 245 A G H > S+ 0 0 0 -178,-2.2 4,-1.1 -2,-0.3 -177,-0.1 0.850 112.6 60.1 -63.2 -35.1 43.3 -3.0 -2.4 240 246 A L H 4 S+ 0 0 10 -179,-0.4 -58,-0.3 1,-0.2 -1,-0.2 0.849 106.2 46.5 -64.6 -35.4 42.3 -5.7 -4.8 241 247 A Y H >4 S+ 0 0 16 -3,-0.3 3,-1.0 1,-0.2 6,-0.5 0.831 109.1 54.5 -72.7 -34.6 41.5 -8.1 -1.9 242 248 A D H 3< S+ 0 0 19 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.672 104.9 55.0 -73.4 -17.1 39.5 -5.4 -0.2 243 249 A L T 3< S+ 0 0 12 -4,-1.1 -69,-2.3 -5,-0.1 -66,-0.4 0.449 90.1 99.8 -90.9 -4.4 37.5 -5.0 -3.4 244 250 A T S <> S- 0 0 13 -3,-1.0 4,-2.5 -71,-0.2 5,-0.2 -0.416 86.9-118.4 -74.1 155.8 36.7 -8.7 -3.3 245 251 A R H > S+ 0 0 66 -71,-0.2 4,-1.7 1,-0.2 5,-0.1 0.931 116.4 46.2 -62.7 -43.9 33.3 -9.8 -1.9 246 252 A E H > S+ 0 0 119 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.874 115.2 45.7 -63.8 -40.8 35.0 -11.6 1.0 247 253 A G H > S+ 0 0 0 -6,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.850 110.7 51.7 -75.1 -37.3 37.4 -8.8 1.8 248 254 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -7,-0.2 -1,-0.2 0.881 109.5 52.0 -62.2 -38.8 34.7 -6.1 1.6 249 255 A E H X S+ 0 0 65 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.772 101.5 59.9 -70.5 -28.3 32.7 -8.2 4.1 250 256 A K H X S+ 0 0 108 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.866 109.4 44.1 -63.2 -37.6 35.7 -8.5 6.4 251 257 A I H >X S+ 0 0 10 -4,-1.2 4,-2.4 2,-0.2 3,-0.6 0.874 108.0 58.2 -73.3 -39.7 35.5 -4.7 6.6 252 258 A N H 3< S+ 0 0 9 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.842 104.8 51.5 -56.5 -35.9 31.7 -4.8 7.0 253 259 A Q H 3< S+ 0 0 155 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.711 110.8 48.9 -77.8 -21.8 32.1 -6.9 10.1 254 260 A K H << S+ 0 0 99 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.896 102.9 70.5 -77.6 -46.1 34.6 -4.4 11.5 255 261 A T < - 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0 0 0 17,-2.6 16,-1.5 -2,-0.6 2,-0.5 -0.218 29.6-165.2 -51.1 132.5 61.4 1.7 -40.6 469 87 B D E -R 483 0H 8 14,-0.2 14,-0.2 -12,-0.1 3,-0.1 -0.921 11.7-173.5-128.4 104.8 58.8 0.8 -43.3 470 88 B Y - 0 0 9 12,-2.8 13,-0.1 -2,-0.5 4,-0.1 0.531 56.9 -88.3 -77.9 -7.2 56.3 -1.8 -42.1 471 89 B G > - 0 0 0 11,-0.3 4,-2.4 3,-0.1 5,-0.2 0.343 21.4-120.4 103.9 127.3 54.7 -2.1 -45.6 472 90 B A H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.919 113.4 42.0 -61.9 -46.4 51.9 -0.0 -47.2 473 91 B A H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.970 115.5 48.1 -66.5 -55.6 49.6 -3.1 -47.7 474 92 B H H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.903 113.9 48.1 -48.7 -49.4 50.3 -4.7 -44.3 475 93 B S H X>S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 5,-1.6 0.880 112.0 48.6 -62.8 -41.7 49.7 -1.4 -42.5 476 94 B E H <5S+ 0 0 144 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.894 110.3 52.9 -64.7 -40.7 46.5 -0.8 -44.4 477 95 B K H <5S+ 0 0 153 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.859 119.2 31.9 -65.5 -39.1 45.2 -4.3 -43.7 478 96 B Y H <5S- 0 0 53 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.648 108.9-120.6 -98.0 -16.6 45.8 -4.1 -39.9 479 97 B G T <5 + 0 0 44 -4,-2.0 140,-0.4 1,-0.3 2,-0.3 0.879 66.1 115.6 86.1 42.0 45.1 -0.4 -39.6 480 98 B H S + 0 0 27 -28,-3.1 3,-1.6 -29,-0.2 -1,-0.2 -0.563 63.5 161.8-139.3 72.9 76.0 -2.9 -40.2 492 110 B K T 3 S+ 0 0 109 -3,-0.3 -28,-0.1 1,-0.3 -1,-0.1 0.789 75.8 62.0 -65.0 -26.1 75.3 -0.7 -43.2 493 111 B D T 3 S+ 0 0 110 -30,-0.1 2,-1.1 -3,-0.1 -1,-0.3 0.240 71.5 126.5 -82.3 12.2 77.5 -3.1 -45.3 494 112 B W < + 0 0 2 -3,-1.6 -3,-0.1 -31,-0.1 54,-0.1 -0.623 34.7 124.4 -79.0 100.0 75.2 -6.0 -44.6 495 113 B K S > S- 0 0 87 -2,-1.1 3,-2.6 3,-0.4 -2,-0.0 -0.874 71.4 -50.9-145.8 171.9 74.4 -7.3 -48.1 496 114 B P T 3 S+ 0 0 63 0, 0.0 52,-0.2 0, 0.0 51,-0.2 -0.325 128.1 27.3 -51.1 124.6 74.5 -10.6 -50.0 497 115 B G T 3 S+ 0 0 52 50,-2.1 51,-0.1 49,-0.1 50,-0.1 0.127 112.2 67.5 106.0 -19.4 78.1 -11.9 -49.5 498 116 B H S < S+ 0 0 120 -3,-2.6 -3,-0.4 49,-0.3 50,-0.1 -0.597 78.9 173.2-126.2 70.4 78.7 -10.3 -46.2 499 117 B P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 50,-0.3 0.095 21.8-132.1 -80.9-174.3 76.3 -12.2 -44.1 500 118 B V E - n 0 549G 0 48,-1.5 50,-1.9 -100,-0.2 51,-0.8 -0.977 13.2-122.5-140.7 144.8 75.4 -12.5 -40.4 501 119 B H E -mn 402 551G 0 -100,-2.6 -98,-2.4 -2,-0.3 2,-0.6 -0.810 29.6-151.8 -83.4 128.1 74.9 -15.1 -37.7 502 120 B F E -mn 403 552G 0 49,-2.9 51,-2.7 -2,-0.5 2,-0.5 -0.910 14.9-178.3-105.7 120.7 71.4 -14.7 -36.1 503 121 B I E -mn 404 553G 0 -100,-2.5 -98,-2.4 -2,-0.6 2,-0.4 -0.951 9.3-176.5-117.2 112.9 70.9 -15.9 -32.5 504 122 B G E -mn 405 554G 0 49,-2.5 51,-2.0 -2,-0.5 2,-0.4 -0.851 13.5-156.6-110.5 143.3 67.4 -15.5 -31.2 505 123 B H E > - n 0 555G 2 -100,-2.0 3,-2.1 -2,-0.4 51,-0.2 -0.959 62.7 -33.8-113.9 136.2 66.0 -16.2 -27.7 506 124 B S T > S+ 0 0 3 49,-3.0 3,-1.8 -2,-0.4 4,-0.4 -0.295 137.4 2.2 59.6-133.5 62.3 -16.9 -27.1 507 125 B M T >> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-0.9 0.681 121.7 78.4 -59.7 -17.9 60.1 -15.0 -29.5 508 126 B G H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.891 84.1 61.5 -54.5 -41.3 63.3 -13.6 -31.1 509 127 B G H <> S+ 0 0 0 -3,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.771 102.9 50.0 -58.9 -29.2 63.7 -17.0 -32.9 510 128 B Q H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.4 -1,-0.2 0.859 108.1 53.0 -74.6 -39.0 60.4 -16.3 -34.7 511 129 B T H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.945 108.1 49.5 -61.5 -50.0 61.5 -12.8 -35.7 512 130 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.849 110.9 50.4 -57.9 -39.0 64.8 -14.1 -37.3 513 131 B R H X S+ 0 0 8 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.2 0.863 112.3 46.4 -68.7 -37.4 62.9 -16.7 -39.3 514 132 B L H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.885 110.6 52.8 -73.1 -40.0 60.4 -14.2 -40.6 515 133 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.949 108.8 50.2 -58.4 -48.7 63.1 -11.8 -41.5 516 134 B E H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.882 108.3 53.2 -57.3 -40.9 64.9 -14.5 -43.4 517 135 B H H X S+ 0 0 29 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.866 110.9 46.2 -63.9 -37.5 61.7 -15.3 -45.3 518 136 B Y H X S+ 0 0 8 -4,-2.0 4,-2.0 -3,-0.3 -2,-0.2 0.876 109.3 54.6 -71.9 -40.0 61.3 -11.7 -46.3 519 137 B L H < S+ 0 0 2 -4,-2.6 26,-2.2 -5,-0.2 -2,-0.2 0.931 118.1 35.5 -56.6 -44.6 64.9 -11.3 -47.4 520 138 B R H < S+ 0 0 33 -4,-2.0 24,-2.3 24,-0.2 -2,-0.2 0.954 137.3 14.0 -79.6 -51.6 64.6 -14.3 -49.7 521 139 B F H < S- 0 0 91 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.443 87.1-150.8-108.3 -3.6 61.1 -14.1 -51.1 522 140 B G < - 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