==== 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 18-FEB-00 1EH5 . COMPND 2 MOLECULE: PALMITOYL PROTEIN THIOESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.J.BELLIZZI III,J.WIDOM,C.KEMP,J.Y.LU,A.K.DAS,S.L.HOFMANN,J . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 0 0.0 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 1 2 2 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 A D 0 0 181 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.9 51.4 39.3 38.5 2 29 A P + 0 0 111 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.790 360.0 81.7 -65.0 -25.1 49.0 36.6 39.8 3 30 A P S S+ 0 0 85 0, 0.0 77,-0.0 0, 0.0 0, 0.0 0.919 80.8 57.5 -42.0 -75.5 51.7 33.9 39.4 4 31 A A S S+ 0 0 79 1,-0.2 2,-1.8 -3,-0.1 0, 0.0 0.754 100.8 60.9 -25.5 -54.5 53.7 34.4 42.6 5 32 A P S S- 0 0 43 0, 0.0 34,-0.4 0, 0.0 -1,-0.2 -0.541 80.1-167.1 -83.3 78.5 50.6 33.8 44.7 6 33 A L - 0 0 46 -2,-1.8 76,-0.1 272,-0.3 72,-0.1 -0.489 26.6-112.1 -66.2 130.6 49.7 30.2 43.6 7 34 A P - 0 0 12 0, 0.0 76,-2.8 0, 0.0 2,-0.4 -0.199 26.8-138.5 -59.9 154.3 46.2 29.3 44.8 8 35 A L E -ab 40 83A 0 31,-2.0 33,-2.9 74,-0.2 2,-0.5 -0.971 8.8-157.9-120.8 133.9 45.9 26.7 47.5 9 36 A V E -ab 41 84A 0 74,-1.9 76,-2.6 -2,-0.4 2,-0.4 -0.959 14.0-163.0-112.4 125.0 43.2 24.0 47.5 10 37 A I E -ab 42 85A 0 31,-2.3 33,-2.2 -2,-0.5 2,-0.4 -0.873 11.3-169.1-113.2 143.2 42.4 22.4 50.8 11 38 A W E - b 0 86A 2 74,-1.8 76,-2.2 -2,-0.4 79,-0.1 -0.964 18.6-140.7-133.4 114.8 40.6 19.1 51.6 12 39 A H - 0 0 4 -2,-0.4 3,-0.1 31,-0.4 6,-0.1 -0.153 19.1-114.0 -69.2 164.5 39.5 18.4 55.2 13 40 A G > - 0 0 6 1,-0.2 3,-1.5 4,-0.1 75,-0.1 -0.092 51.5 -46.4 -90.1-170.0 39.6 15.1 57.0 14 41 A M T 3 S+ 0 0 75 1,-0.2 -1,-0.2 73,-0.1 3,-0.1 -0.324 123.8 7.1 -58.8 131.5 37.1 12.6 58.4 15 42 A G T 3 S+ 0 0 38 38,-0.5 -1,-0.2 1,-0.3 2,-0.2 0.357 110.5 96.8 78.7 -5.8 34.4 14.2 60.5 16 43 A D < - 0 0 41 -3,-1.5 -1,-0.3 36,-0.1 2,-0.2 -0.473 58.9-142.0-106.8 179.4 35.4 17.8 59.7 17 44 A S - 0 0 8 -2,-0.2 3,-0.4 -3,-0.1 7,-0.3 -0.733 27.2 -98.6-132.1-176.9 34.2 20.3 57.2 18 45 A C S S+ 0 0 4 -2,-0.2 26,-0.1 1,-0.2 25,-0.1 0.869 110.4 33.1 -69.9 -41.1 35.5 23.1 54.9 19 46 A C + 0 0 71 5,-0.1 -1,-0.2 6,-0.1 25,-0.0 -0.122 66.8 141.3-121.2 39.8 34.8 26.0 57.0 20 47 A N > - 0 0 63 -3,-0.4 5,-3.4 1,-0.2 6,-0.7 -0.697 45.1-142.6 -82.7 120.2 35.1 25.4 60.7 21 48 A P T 5S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.805 97.4 51.6 -48.8 -34.6 36.6 28.5 62.3 22 49 A L T 5S+ 0 0 147 3,-0.1 -2,-0.0 4,-0.1 -3,-0.0 0.965 127.4 8.1 -73.6 -52.6 38.6 26.3 64.7 23 50 A S T >5S+ 0 0 42 3,-0.1 4,-1.7 2,-0.1 3,-0.4 0.889 137.7 16.3 -97.1 -78.9 40.2 23.9 62.3 24 51 A M H >5S+ 0 0 4 -7,-0.3 4,-2.0 1,-0.2 5,-0.1 0.803 125.3 55.6 -62.9 -32.5 40.0 24.5 58.6 25 52 A G H > S+ 0 0 33 -6,-0.7 4,-2.2 -3,-0.4 -2,-0.2 0.863 108.1 51.2 -74.3 -35.5 42.0 28.7 61.0 27 54 A I H X S+ 0 0 13 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.962 109.0 51.0 -64.2 -49.7 44.4 27.1 58.5 28 55 A K H X S+ 0 0 70 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.820 110.3 51.9 -56.5 -31.8 42.9 29.3 55.7 29 56 A K H X S+ 0 0 121 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.927 108.6 47.6 -72.7 -47.9 43.5 32.3 57.9 30 57 A M H >X S+ 0 0 21 -4,-2.2 4,-1.9 2,-0.2 3,-0.6 0.958 111.5 50.4 -57.4 -53.8 47.1 31.7 58.7 31 58 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.3 3,-0.2 0.918 110.3 50.2 -49.6 -51.4 48.0 31.0 55.1 32 59 A E H 3< S+ 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 5,-0.2 0.786 107.3 55.6 -60.1 -30.9 46.3 34.2 54.0 33 60 A K H << S+ 0 0 103 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.905 114.2 37.0 -69.3 -44.1 48.2 36.2 56.7 34 61 A K H < S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.688 123.3 42.9 -81.9 -22.1 51.7 35.2 55.5 35 62 A I S >< S- 0 0 16 -4,-1.9 3,-1.9 -5,-0.3 -1,-0.2 -0.589 87.7-150.3-127.4 70.2 50.9 35.2 51.8 36 63 A P T 3 S+ 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.032 76.9 16.1 -42.3 129.8 48.9 38.4 51.2 37 64 A G T 3 S+ 0 0 80 1,-0.2 2,-0.2 -5,-0.2 -5,-0.1 0.376 85.4 151.1 86.5 -3.2 46.4 38.2 48.4 38 65 A I < - 0 0 9 -3,-1.9 2,-0.6 -6,-0.2 -1,-0.2 -0.410 44.4-131.8 -69.4 133.3 46.4 34.4 48.0 39 66 A H - 0 0 53 -34,-0.4 -31,-2.0 -2,-0.2 2,-0.5 -0.751 25.4-168.7 -84.8 115.6 43.2 32.6 46.7 40 67 A V E -a 8 0A 13 -2,-0.6 2,-0.8 -33,-0.2 -31,-0.2 -0.933 8.0-166.6-114.4 117.1 42.4 29.7 49.1 41 68 A L E -a 9 0A 37 -33,-2.9 -31,-2.3 -2,-0.5 2,-1.0 -0.846 2.6-169.4-104.8 99.7 39.7 27.1 48.0 42 69 A S E -a 10 0A 23 -2,-0.8 -31,-0.2 -33,-0.2 -24,-0.1 -0.765 27.6-124.7 -92.9 101.4 38.7 24.9 50.9 43 70 A L - 0 0 5 -33,-2.2 2,-0.5 -2,-1.0 -31,-0.4 -0.018 23.1-167.9 -47.7 136.7 36.6 22.1 49.5 44 71 A E - 0 0 68 -26,-0.1 2,-1.1 -27,-0.1 -1,-0.1 -0.967 11.2-151.9-129.0 110.4 33.0 21.5 50.7 45 72 A I + 0 0 4 -2,-0.5 10,-0.3 4,-0.1 2,-0.2 -0.748 69.4 17.0 -89.6 100.4 31.6 18.2 49.5 46 73 A G S S- 0 0 30 -2,-1.1 6,-0.1 1,-0.1 -2,-0.1 -0.542 93.5 -85.4 124.7 169.5 27.9 18.7 49.4 47 74 A K S S+ 0 0 190 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.613 109.1 41.5 -85.2 -13.5 25.6 21.8 49.5 48 75 A T S > S- 0 0 74 -3,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.936 77.3-125.5-134.3 155.8 25.6 22.0 53.3 49 76 A L H > S+ 0 0 72 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.844 114.9 64.9 -64.0 -29.1 28.2 21.6 56.1 50 77 A R H > S+ 0 0 188 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.964 110.0 31.6 -55.0 -59.3 25.6 19.1 57.2 51 78 A E H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.650 113.3 64.5 -77.0 -13.9 26.1 16.8 54.3 52 79 A D H X S+ 0 0 1 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.966 105.8 43.5 -70.1 -52.1 29.8 17.8 54.0 53 80 A V H < S+ 0 0 49 -4,-2.6 -38,-0.5 1,-0.2 -2,-0.2 0.853 119.2 43.3 -61.8 -37.5 30.5 16.3 57.4 54 81 A E H >X S+ 0 0 72 -4,-1.4 4,-3.0 -5,-0.2 3,-2.9 0.892 104.1 61.6 -78.5 -38.5 28.5 13.2 56.7 55 82 A N H 3X S+ 0 0 27 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.764 94.0 67.8 -57.1 -22.0 29.7 12.6 53.1 56 83 A S H 3< S+ 0 0 3 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.562 115.0 26.7 -74.6 -6.1 33.1 12.2 54.8 57 84 A F H <4 S+ 0 0 67 -3,-2.9 97,-2.4 97,-0.1 98,-0.4 0.666 135.2 26.7-117.2 -44.9 31.8 9.0 56.3 58 85 A F H < S+ 0 0 133 -4,-3.0 2,-0.5 95,-0.2 -3,-0.2 0.319 90.9 94.5-112.7 9.2 29.1 7.9 53.9 59 86 A L S < S- 0 0 52 -4,-1.7 5,-0.1 -5,-0.3 93,-0.1 -0.902 79.9-102.7-111.7 131.0 29.7 9.1 50.3 60 87 A N >> - 0 0 30 -2,-0.5 4,-2.1 91,-0.4 3,-0.6 -0.151 26.4-147.2 -44.0 120.0 31.5 7.1 47.6 61 88 A V H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.826 97.1 59.7 -63.9 -34.7 35.0 8.5 47.4 62 89 A N H 3> S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.843 109.9 45.5 -63.3 -30.0 35.3 7.8 43.7 63 90 A S H <> S+ 0 0 53 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.895 107.7 55.6 -77.2 -42.3 32.3 10.1 43.4 64 91 A Q H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.876 109.0 50.2 -55.6 -40.8 33.7 12.7 45.7 65 92 A V H X S+ 0 0 1 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.963 108.7 46.2 -66.2 -56.9 36.8 12.9 43.5 66 93 A T H X S+ 0 0 74 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.919 114.4 53.1 -54.5 -38.8 35.1 13.3 40.1 67 94 A T H X S+ 0 0 59 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.922 111.1 44.0 -61.0 -45.3 32.9 15.9 41.8 68 95 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.899 109.4 56.7 -67.2 -39.6 36.0 17.8 43.2 69 96 A a H X S+ 0 0 22 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.882 107.4 51.1 -57.9 -35.7 37.7 17.5 39.7 70 97 A Q H X S+ 0 0 114 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.869 108.0 50.6 -70.8 -36.6 34.6 19.3 38.4 71 98 A I H >< S+ 0 0 68 -4,-1.6 3,-1.6 1,-0.2 4,-0.4 0.982 109.2 49.6 -64.1 -56.3 34.8 22.1 40.9 72 99 A L H >< S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.3 6,-0.2 0.816 106.4 58.4 -51.3 -35.6 38.4 22.8 40.2 73 100 A A H 3< S+ 0 0 52 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.759 105.4 48.5 -68.3 -27.1 37.7 22.9 36.5 74 101 A K T << S+ 0 0 163 -3,-1.6 -1,-0.2 -4,-0.9 -2,-0.2 0.367 90.0 91.9 -95.4 3.1 35.1 25.7 36.8 75 102 A D X - 0 0 23 -3,-0.9 3,-1.0 -4,-0.4 4,-0.2 -0.893 60.9-162.5 -98.7 116.0 37.3 27.9 39.0 76 103 A P G > S+ 0 0 106 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.782 81.8 69.3 -69.2 -28.1 39.3 30.3 36.6 77 104 A K G 3 S+ 0 0 137 1,-0.2 -38,-0.1 2,-0.1 3,-0.1 0.428 98.9 51.6 -72.2 3.0 41.9 31.2 39.2 78 105 A L G X S+ 0 0 0 -3,-1.0 3,-1.8 -6,-0.2 -1,-0.2 0.391 74.6 98.4-118.6 -0.2 43.4 27.7 39.1 79 106 A Q T < S+ 0 0 72 -3,-1.2 -2,-0.1 1,-0.3 3,-0.1 0.722 83.6 52.7 -64.8 -21.7 44.0 27.1 35.4 80 107 A Q T 3 S- 0 0 177 1,-0.4 -1,-0.3 -4,-0.2 2,-0.1 0.306 129.0 -76.0 -94.4 8.6 47.6 28.0 35.5 81 108 A G < - 0 0 2 -3,-1.8 -1,-0.4 2,-0.0 2,-0.3 -0.187 46.3-146.3 113.5 153.7 48.2 25.6 38.4 82 109 A Y E - c 0 106A 1 23,-1.6 25,-3.2 -76,-0.1 2,-0.2 -0.979 13.2-124.6-151.4 158.5 47.5 25.3 42.1 83 110 A N E -b 8 0A 3 -76,-2.8 -74,-1.9 -2,-0.3 2,-0.3 -0.622 27.8-153.0 -98.8 164.6 49.0 23.8 45.2 84 111 A A E -bc 9 109A 0 24,-1.9 26,-2.8 -76,-0.2 2,-0.4 -0.999 12.5-168.5-144.4 146.5 47.0 21.4 47.4 85 112 A M E -bc 10 110A 0 -76,-2.6 -74,-1.8 -2,-0.3 2,-0.4 -0.962 7.8-168.7-138.8 117.6 47.0 20.4 51.1 86 113 A G E -bc 11 111A 0 24,-2.5 26,-2.9 -2,-0.4 2,-0.5 -0.910 10.6-148.4-114.2 136.1 45.1 17.5 52.5 87 114 A F E > - c 0 112A 20 -76,-2.2 3,-2.1 -2,-0.4 26,-0.2 -0.864 64.2 -40.1-101.4 127.1 44.4 16.7 56.2 88 115 A S T > S+ 0 0 14 24,-2.8 3,-2.5 -2,-0.5 4,-0.4 -0.388 138.8 4.3 57.7-125.7 44.1 13.0 57.3 89 116 A Q T >> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 3,-0.5 0.775 121.0 76.6 -59.5 -25.4 42.2 11.1 54.6 90 117 A G H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.707 85.0 67.1 -56.8 -19.0 42.1 14.3 52.6 91 118 A G H <> S+ 0 0 0 -3,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.966 103.4 39.5 -66.0 -54.4 45.7 13.4 51.8 92 119 A Q H <> S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.858 114.5 56.8 -61.9 -38.0 44.9 10.3 49.8 93 120 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.943 107.5 44.5 -62.2 -49.2 41.9 12.1 48.2 94 121 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.841 111.9 55.5 -64.8 -29.6 43.9 15.0 46.8 95 122 A R H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.888 105.2 52.2 -68.8 -37.4 46.5 12.4 45.7 96 123 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.940 106.7 53.0 -63.3 -44.8 43.7 10.7 43.8 97 124 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.895 105.3 55.5 -55.5 -42.0 42.7 13.9 42.1 98 125 A A H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.846 114.4 38.3 -60.7 -37.5 46.4 14.4 41.0 99 126 A Q H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.777 123.0 41.8 -84.3 -29.6 46.4 11.0 39.2 100 127 A R H < S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.817 122.5 28.6 -90.5 -34.7 42.8 11.2 37.9 101 128 A a < + 0 0 20 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.743 55.7 176.1-136.3 92.4 42.5 14.8 36.7 102 129 A P + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.421 51.5 107.9 -68.4 -4.7 45.7 16.5 35.5 103 130 A S S S+ 0 0 86 1,-0.2 -30,-0.1 2,-0.1 -24,-0.1 -0.983 76.3 30.3-132.0 121.1 43.8 19.6 34.5 104 131 A P S S- 0 0 3 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.565 111.1-118.6 -66.5 153.3 44.1 22.1 36.1 105 132 A P - 0 0 58 0, 0.0 -23,-1.6 0, 0.0 2,-0.2 -0.494 17.5-141.3 -70.6 119.5 47.6 21.0 37.0 106 133 A M E -c 82 0A 17 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.580 18.7-171.1 -76.0 144.5 48.3 20.5 40.7 107 134 A V E + 0 0 32 -25,-3.2 89,-2.4 1,-0.4 90,-0.8 0.826 60.3 8.8-103.1 -79.0 51.8 21.7 41.6 108 135 A N E - d 0 197A 26 88,-0.2 -24,-1.9 87,-0.2 -1,-0.4 -0.814 66.4-154.2-104.4 151.1 52.9 20.8 45.1 109 136 A L E -cd 84 198A 0 88,-2.8 90,-2.2 -2,-0.3 2,-0.6 -0.964 3.5-163.2-130.8 116.7 51.0 18.4 47.3 110 137 A I E -cd 85 199A 1 -26,-2.8 -24,-2.5 -2,-0.4 2,-0.7 -0.871 2.9-164.2-105.0 117.3 51.1 18.5 51.1 111 138 A S E -cd 86 200A 0 88,-3.2 90,-3.0 -2,-0.6 2,-1.0 -0.877 0.8-165.9-102.4 108.6 49.9 15.5 53.0 112 139 A V E S-cd 87 201A 9 -26,-2.9 -24,-2.8 -2,-0.7 -21,-0.2 -0.791 77.2 -29.8 -97.5 94.9 49.2 16.2 56.6 113 140 A G S S+ 0 0 0 88,-1.3 -1,-0.2 -2,-1.0 89,-0.1 0.793 91.9 167.8 70.4 29.0 48.9 12.8 58.3 114 141 A G - 0 0 0 87,-0.3 2,-0.7 101,-0.3 103,-0.2 -0.320 38.2-131.0 -74.1 159.5 47.5 11.0 55.2 115 142 A Q > + 0 0 4 -27,-0.3 3,-1.2 1,-0.1 100,-0.2 -0.751 32.3 168.8-112.2 81.7 47.1 7.2 54.9 116 143 A H T 3 S+ 0 0 0 98,-1.5 -1,-0.1 -2,-0.7 99,-0.1 0.642 82.7 36.3 -72.7 -14.1 48.7 6.5 51.5 117 144 A Q T 3 S- 0 0 15 1,-0.5 -1,-0.3 97,-0.3 98,-0.1 0.142 115.2-123.1-117.9 14.3 48.7 2.7 52.0 118 145 A G < - 0 0 0 -3,-1.2 -1,-0.5 96,-0.2 2,-0.3 -0.353 32.1 -75.7 78.6-160.7 45.4 2.8 53.9 119 146 A V B -f 159 0B 20 39,-1.8 41,-2.9 36,-0.2 3,-0.1 -0.940 24.3-171.3-139.0 159.0 44.9 1.4 57.4 120 147 A F + 0 0 0 90,-2.8 2,-0.2 -2,-0.3 17,-0.1 -0.523 67.2 44.2-151.3 74.8 44.5 -1.9 59.2 121 148 A G S S- 0 0 6 16,-0.1 89,-0.4 5,-0.1 13,-0.1 -0.728 79.3 -96.4 158.2 153.8 43.4 -1.2 62.8 122 149 A L > - 0 0 68 3,-0.4 3,-1.6 -2,-0.2 87,-0.1 -0.702 53.4 -82.3 -96.3 144.7 41.0 0.9 64.9 123 150 A P T 3 S- 0 0 75 0, 0.0 85,-0.2 0, 0.0 -1,-0.1 -0.097 109.6 -7.7 -43.4 127.2 42.0 4.3 66.6 124 151 A R T 3 S+ 0 0 178 83,-2.8 84,-0.1 1,-0.1 83,-0.0 0.834 107.0 107.9 47.1 41.1 43.7 3.7 69.9 125 152 A b < - 0 0 31 -3,-1.6 -3,-0.4 82,-0.2 -1,-0.1 -0.414 54.5-167.4-138.8 55.6 43.0 -0.0 69.9 126 153 A P > - 0 0 63 0, 0.0 3,-0.6 0, 0.0 8,-0.3 -0.246 15.1-147.0 -51.7 125.5 46.5 -1.5 69.2 127 154 A G T 3 S+ 0 0 10 6,-0.2 7,-0.2 1,-0.2 3,-0.1 0.475 84.2 78.9 -75.6 -2.4 46.2 -5.1 68.2 128 155 A E T 3 S+ 0 0 95 1,-0.2 -1,-0.2 98,-0.1 3,-0.0 0.904 107.2 23.2 -72.3 -41.9 49.5 -6.1 69.8 129 156 A S S < S+ 0 0 109 -3,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.171 113.9 70.5-113.0 18.0 48.3 -6.2 73.4 130 157 A S > - 0 0 36 -4,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.934 51.6-164.0-142.2 118.4 44.5 -6.8 73.0 131 158 A H H > S+ 0 0 146 -2,-0.4 4,-2.7 2,-0.2 -1,-0.1 0.908 97.8 50.7 -60.9 -41.1 42.7 -9.9 71.8 132 159 A I H > S+ 0 0 99 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.962 110.7 45.6 -61.5 -57.1 39.6 -7.8 71.3 133 160 A b H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.945 118.4 43.0 -52.3 -53.9 41.2 -5.1 69.2 134 161 A D H X S+ 0 0 39 -4,-2.4 4,-1.8 -8,-0.3 -1,-0.2 0.889 113.8 53.8 -61.8 -38.8 43.1 -7.6 67.1 135 162 A F H X S+ 0 0 110 -4,-2.7 4,-1.3 -5,-0.3 3,-0.2 0.988 106.9 49.6 -58.2 -63.7 40.0 -9.8 66.8 136 163 A I H >< S+ 0 0 54 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.880 111.4 45.7 -40.2 -62.4 37.8 -7.0 65.5 137 164 A R H >X S+ 0 0 8 -4,-1.8 3,-1.1 1,-0.3 4,-1.0 0.892 114.7 48.9 -55.5 -41.2 40.0 -5.8 62.7 138 165 A K H 3< S+ 0 0 91 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.660 109.4 54.6 -72.7 -15.5 40.7 -9.4 61.6 139 166 A T T << S+ 0 0 57 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 -0.155 103.2 56.5-108.7 35.7 37.0 -10.0 61.7 140 167 A L T X> S+ 0 0 68 -3,-1.1 4,-3.9 -5,-0.1 3,-3.3 0.469 86.5 71.2-130.3 -32.4 36.1 -7.1 59.4 141 168 A N T 3< S+ 0 0 22 -4,-1.0 4,-0.4 1,-0.3 -2,-0.1 0.769 90.6 69.6 -58.5 -21.2 38.3 -8.1 56.4 142 169 A A T 34 S+ 0 0 95 -4,-0.1 -1,-0.3 1,-0.1 -3,-0.1 0.632 120.4 10.2 -71.3 -14.6 35.6 -10.7 56.2 143 170 A G T X4 S+ 0 0 31 -3,-3.3 3,-2.9 3,-0.1 6,-0.3 0.600 100.4 90.3-135.2 -28.9 33.1 -8.0 55.2 144 171 A A T 3< S+ 0 0 13 -4,-3.9 -3,-0.1 1,-0.3 15,-0.1 0.661 92.2 53.9 -48.5 -18.9 34.9 -4.8 54.4 145 172 A Y T 3 S+ 0 0 16 -4,-0.4 -1,-0.3 -5,-0.3 2,-0.1 0.340 74.1 122.0-103.3 8.6 35.2 -5.9 50.8 146 173 A N S <> S- 0 0 92 -3,-2.9 4,-2.8 1,-0.1 5,-0.2 -0.479 70.9-125.0 -66.5 137.3 31.5 -6.7 50.1 147 174 A K H > S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.872 110.8 53.4 -54.8 -38.1 30.4 -4.6 47.2 148 175 A A H 4 S+ 0 0 53 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.927 112.3 43.4 -63.6 -45.0 27.5 -3.1 49.3 149 176 A I H >> S+ 0 0 50 -6,-0.3 4,-2.1 1,-0.2 3,-1.6 0.922 111.2 53.9 -66.4 -45.8 29.9 -2.1 52.1 150 177 A Q H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.1 51.5 -57.6 -39.6 32.6 -0.7 49.7 151 178 A E T 3< S+ 0 0 104 -4,-1.9 -91,-0.4 -5,-0.2 -1,-0.3 0.418 120.0 32.6 -81.0 2.7 30.1 1.6 48.0 152 179 A R T <4 S+ 0 0 126 -3,-1.6 2,-0.6 -4,-0.2 -2,-0.2 0.549 104.5 70.1-131.2 -18.6 28.7 3.2 51.2 153 180 A L X - 0 0 55 -4,-2.1 4,-1.2 1,-0.2 -95,-0.2 -0.915 53.9-165.9-111.9 114.3 31.6 3.3 53.7 154 181 A V T >4 S+ 0 0 0 -97,-2.4 3,-0.8 -2,-0.6 4,-0.4 0.931 91.7 51.5 -59.1 -48.7 34.4 5.7 53.0 155 182 A Q G >4 S+ 0 0 44 -98,-0.4 3,-1.3 1,-0.3 -1,-0.2 0.843 104.7 57.7 -58.7 -35.4 36.7 4.1 55.6 156 183 A A G >4 S+ 0 0 10 1,-0.3 3,-1.5 -7,-0.2 -1,-0.3 0.838 94.4 67.3 -64.2 -33.1 36.1 0.7 54.0 157 184 A E G << S+ 0 0 0 -4,-1.2 18,-1.9 -3,-0.8 17,-0.5 0.614 111.1 32.6 -65.4 -13.2 37.4 2.1 50.7 158 185 A Y G < S+ 0 0 11 -3,-1.3 -39,-1.8 -4,-0.4 2,-0.5 0.074 84.2 125.2-130.0 24.6 40.9 2.5 52.2 159 186 A W B < -f 119 0B 18 -3,-1.5 2,-0.6 -41,-0.2 -39,-0.2 -0.747 45.4-161.8 -82.6 125.7 40.9 -0.5 54.6 160 187 A H - 0 0 1 -41,-2.9 5,-0.1 -2,-0.5 -19,-0.0 -0.881 8.4-159.9-122.1 102.4 44.0 -2.5 53.6 161 188 A D - 0 0 3 -2,-0.6 7,-0.2 3,-0.2 62,-0.1 -0.690 7.2-174.6 -83.0 118.6 44.3 -6.1 54.8 162 189 A P S > S+ 0 0 0 0, 0.0 61,-2.8 0, 0.0 3,-0.5 0.692 81.4 55.0 -81.4 -26.0 48.0 -7.3 54.7 163 190 A I T 3 S+ 0 0 70 1,-0.2 2,-1.7 60,-0.2 3,-0.2 0.979 120.8 22.8 -71.7 -78.7 47.0 -10.9 55.6 164 191 A R T >> S+ 0 0 137 1,-0.2 3,-1.0 2,-0.1 4,-0.9 -0.441 80.2 154.8 -88.7 63.1 44.4 -11.8 52.9 165 192 A E H <> + 0 0 19 -2,-1.7 4,-2.3 -3,-0.5 -1,-0.2 0.645 58.6 71.9 -65.9 -18.3 45.8 -9.1 50.5 166 193 A D H 3> S+ 0 0 78 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.861 100.7 45.5 -66.7 -36.0 44.6 -11.0 47.4 167 194 A I H <> S+ 0 0 57 -3,-1.0 4,-1.7 2,-0.2 5,-0.2 0.823 109.7 54.7 -76.8 -32.9 41.0 -10.0 48.3 168 195 A Y H X S+ 0 0 0 -4,-0.9 4,-2.3 -7,-0.2 -2,-0.2 0.948 110.1 46.6 -64.2 -47.9 42.0 -6.4 49.1 169 196 A R H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 117.9 40.9 -61.0 -44.4 43.6 -6.0 45.6 170 197 A N H < S+ 0 0 107 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.698 126.3 30.7 -82.5 -17.3 40.7 -7.5 43.7 171 198 A H H < S+ 0 0 103 -4,-1.7 2,-0.3 -3,-0.1 -2,-0.2 0.599 84.1 102.8-118.9 -12.3 37.9 -5.9 45.6 172 199 A S < - 0 0 0 -4,-2.3 5,-0.1 -5,-0.2 -15,-0.1 -0.589 50.8-160.8 -73.6 131.0 38.9 -2.5 47.0 173 200 A I S S+ 0 0 43 -2,-0.3 -1,-0.1 3,-0.1 -16,-0.1 0.502 76.9 18.8 -92.2 -4.7 37.3 0.2 44.8 174 201 A F S >> S+ 0 0 0 -17,-0.5 4,-2.1 3,-0.1 3,-0.6 0.576 122.7 36.9-125.6 -75.4 39.5 3.2 45.8 175 202 A L H 3> S+ 0 0 0 -18,-1.9 4,-1.3 1,-0.2 6,-0.2 0.922 116.0 53.7 -50.6 -51.8 42.9 2.6 47.4 176 203 A A H 34>S+ 0 0 0 -19,-0.3 5,-2.9 1,-0.2 6,-0.4 0.875 110.6 50.5 -52.3 -37.5 43.7 -0.5 45.4 177 204 A D H X45S+ 0 0 42 -3,-0.6 3,-1.6 1,-0.2 -2,-0.2 0.960 111.6 41.9 -67.3 -55.4 43.0 1.5 42.2 178 205 A I H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.553 112.5 57.7 -73.0 -3.9 45.2 4.5 42.9 179 206 A N T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.244 112.8-116.7-107.1 11.9 48.0 2.2 44.2 180 207 A Q T < 5 + 0 0 1 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.782 65.3 145.3 60.6 32.3 48.2 0.3 40.9 181 208 A E S - 0 0 58 -2,-0.5 4,-1.8 56,-0.2 5,-0.2 -0.806 5.7-157.9 -89.7 107.7 47.6 2.7 35.2 186 213 A E H > S+ 0 0 169 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.849 89.7 47.0 -54.3 -43.6 49.9 4.5 32.8 187 214 A S H > S+ 0 0 56 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.885 105.8 60.9 -69.4 -37.7 48.3 8.0 33.2 188 215 A Y H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.950 109.4 41.5 -51.6 -54.1 48.2 7.6 36.9 189 216 A K H X S+ 0 0 61 -4,-1.8 4,-2.4 52,-0.2 5,-0.2 0.931 116.3 48.0 -60.6 -49.7 52.0 7.4 37.0 190 217 A K H X S+ 0 0 146 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.931 113.7 48.4 -58.0 -46.0 52.6 10.1 34.4 191 218 A N H < S+ 0 0 19 -4,-3.7 4,-0.3 -92,-0.2 -1,-0.2 0.890 111.2 48.9 -63.9 -40.9 50.1 12.4 36.3 192 219 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 0.912 109.8 51.2 -66.5 -42.1 51.7 11.8 39.7 193 220 A M H 3< S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.732 94.8 73.1 -66.7 -22.2 55.3 12.4 38.5 194 221 A A T 3< S+ 0 0 62 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.675 78.5 97.1 -65.8 -16.1 54.0 15.7 36.9 195 222 A L < - 0 0 4 -3,-1.6 -87,-0.2 -4,-0.3 3,-0.1 -0.383 68.3-149.6 -68.5 154.3 53.8 17.0 40.5 196 223 A K S S+ 0 0 135 -89,-2.4 2,-0.4 1,-0.3 -88,-0.2 0.814 78.0 11.2 -95.1 -38.3 56.9 19.1 41.6 197 224 A K E -d 108 0A 74 -90,-0.8 -88,-2.8 80,-0.1 2,-0.6 -0.978 55.8-168.5-146.6 129.8 56.9 18.3 45.3 198 225 A F E -de 109 253A 2 54,-2.8 56,-2.3 -2,-0.4 2,-0.5 -0.924 17.1-164.6-119.9 99.0 55.0 15.7 47.3 199 226 A V E -de 110 254A 0 -90,-2.2 -88,-3.2 -2,-0.6 2,-0.7 -0.766 3.6-163.8 -91.0 123.1 55.4 16.4 51.0 200 227 A M E -de 111 255A 0 54,-2.9 56,-1.9 -2,-0.5 2,-0.4 -0.892 4.7-162.2-112.8 106.7 54.5 13.7 53.4 201 228 A V E -de 112 256A 1 -90,-3.0 -88,-1.3 -2,-0.7 2,-0.5 -0.693 6.8-165.4 -87.8 134.9 54.0 14.8 57.0 202 229 A K E - e 0 257A 26 54,-1.4 56,-2.2 -2,-0.4 2,-1.0 -0.968 17.6-142.5-129.4 124.3 54.1 12.2 59.7 203 230 A F E > - e 0 258A 0 -2,-0.5 3,-1.9 54,-0.2 56,-0.2 -0.708 14.2-157.6 -85.8 104.0 53.0 12.4 63.3 204 231 A L T 3 S+ 0 0 84 54,-3.2 55,-0.2 -2,-1.0 -1,-0.2 0.834 89.9 41.1 -47.6 -45.3 55.5 10.4 65.3 205 232 A N T 3 S+ 0 0 80 55,-1.4 -1,-0.3 53,-0.4 57,-0.2 0.047 83.2 152.8 -98.6 26.6 53.3 9.8 68.3 206 233 A D < + 0 0 14 -3,-1.9 6,-0.1 55,-0.3 55,-0.1 -0.322 20.1 174.4 -60.8 127.6 50.1 9.1 66.3 207 234 A T S S+ 0 0 59 -2,-0.1 -83,-2.8 4,-0.1 -82,-0.2 0.275 73.1 58.5-117.6 9.2 47.6 6.8 68.0 208 235 A I S S+ 0 0 65 -85,-0.2 2,-0.7 1,-0.2 -87,-0.1 0.745 92.5 65.2-106.6 -35.9 44.8 7.1 65.4 209 236 A V S S- 0 0 9 -86,-0.1 -1,-0.2 -87,-0.1 6,-0.1 -0.831 80.1-137.8 -97.5 111.9 46.4 5.9 62.2 210 237 A D S S+ 0 0 29 -2,-0.7 -90,-2.8 -89,-0.4 2,-0.1 -0.931 90.3 21.6-114.1 115.1 47.4 2.2 62.3 211 238 A P S > S- 0 0 4 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.587 75.4-158.9 -86.0 156.2 50.1 1.8 61.1 212 239 A V G > S+ 0 0 36 1,-0.2 3,-2.4 2,-0.2 4,-0.3 0.809 87.5 74.9 -66.5 -28.9 51.7 5.2 61.3 213 240 A D G > >S+ 0 0 43 1,-0.3 3,-2.7 2,-0.2 5,-2.0 0.803 78.1 75.5 -51.9 -32.2 54.2 4.2 58.6 214 241 A S G X 5S+ 0 0 0 -3,-1.1 -98,-1.5 1,-0.3 3,-1.4 0.725 81.5 69.0 -54.0 -24.4 51.3 4.6 56.2 215 242 A E G < 5S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.3 -101,-0.3 0.718 105.0 40.4 -68.6 -21.2 51.8 8.4 56.5 216 243 A W G < 5S- 0 0 71 -3,-2.7 15,-0.4 -4,-0.3 -1,-0.3 0.072 127.9 -97.4-113.0 20.1 55.1 8.0 54.6 217 244 A F T < 5S+ 0 0 0 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.676 88.8 120.7 71.1 21.6 53.7 5.5 52.1 218 245 A G < + 0 0 5 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.352 35.5 170.4-100.1-174.4 55.0 2.5 54.1 219 246 A F E -G 229 0C 10 10,-2.1 10,-3.0 -2,-0.1 3,-0.1 -0.988 38.7 -50.0-179.3 176.5 53.0 -0.4 55.6 220 247 A Y E -G 228 0C 14 8,-0.3 8,-0.3 -2,-0.3 3,-0.1 -0.337 66.1-100.5 -62.3 144.5 52.9 -3.9 57.3 221 248 A R > - 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