==== 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 13-SEP-07 2Z8Z . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR C.ANGKAWIDJAJA,D.J.YOU,H.MATSUMURA,Y.KOGA,K.TAKANO,S.KANAYA . 616 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 71 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 3 0 0 0 0 1 1 2 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 7 8 3 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 . 3 1 3 3 1 0 1 1 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 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 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 2 A G > 0 0 11 0, 0.0 3,-2.3 0, 0.0 334,-0.3 0.000 360.0 360.0 360.0 148.2 5.8 -4.6 31.0 2 3 A V T 3 + 0 0 0 328,-0.4 332,-0.1 332,-0.3 329,-0.1 0.774 360.0 45.3 -53.6 -33.7 3.2 -4.3 28.2 3 4 A Y T 3 S+ 0 0 1 7,-0.1 -1,-0.3 2,-0.1 14,-0.1 0.212 76.9 145.6-102.0 20.8 4.2 -7.8 26.8 4 5 A D < - 0 0 71 -3,-2.3 2,-0.4 1,-0.0 6,-0.1 -0.265 32.6-161.0 -55.4 137.7 4.4 -9.6 30.2 5 6 A Y > - 0 0 12 4,-0.3 3,-2.1 3,-0.2 -2,-0.1 -0.993 42.3 -46.3-132.1 130.3 3.2 -13.2 29.5 6 7 A K T 3 S- 0 0 96 -2,-0.4 7,-0.0 1,-0.3 225,-0.0 -0.178 112.8 -36.6 51.1-131.6 1.9 -15.9 32.0 7 8 A N T 3 S+ 0 0 166 -3,-0.1 -1,-0.3 6,-0.0 2,-0.0 0.145 101.3 126.2-105.9 17.5 4.3 -15.9 35.0 8 9 A F < - 0 0 72 -3,-2.1 -3,-0.2 1,-0.1 0, 0.0 -0.380 66.0-108.9 -69.4 155.9 7.4 -15.2 33.1 9 10 A G > - 0 0 41 -5,-0.1 4,-2.1 1,-0.1 -4,-0.3 -0.141 34.2 -91.7 -72.6 178.4 9.3 -12.3 34.4 10 11 A T H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.939 126.1 43.5 -50.0 -52.6 9.6 -8.9 32.7 11 12 A A H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 113.2 46.9 -70.0 -48.9 12.8 -10.0 31.0 12 13 A D H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 110.9 54.7 -60.8 -36.1 11.9 -13.5 29.9 13 14 A S H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.874 107.8 51.0 -62.8 -38.1 8.5 -12.1 28.5 14 15 A K H X S+ 0 0 60 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.908 108.9 49.6 -64.4 -44.5 10.6 -9.6 26.4 15 16 A A H X S+ 0 0 56 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.892 112.2 48.1 -63.9 -37.7 12.8 -12.3 25.0 16 17 A L H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.924 111.5 50.4 -62.9 -49.7 9.7 -14.4 24.1 17 18 A F H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.904 109.3 51.4 -55.1 -45.2 8.0 -11.4 22.5 18 19 A S H X S+ 0 0 43 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.896 110.4 48.0 -67.8 -38.6 11.2 -10.6 20.4 19 20 A D H X S+ 0 0 17 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.904 110.8 52.0 -62.8 -39.2 11.4 -14.2 19.1 20 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.922 110.0 48.5 -62.6 -44.0 7.7 -14.2 18.3 21 22 A M H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 111.0 51.5 -61.5 -43.4 8.1 -11.0 16.3 22 23 A A H X S+ 0 0 18 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 112.6 42.2 -64.8 -45.6 11.1 -12.4 14.5 23 24 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.865 112.8 56.7 -70.0 -30.6 9.4 -15.7 13.4 24 25 A T H X S+ 0 0 2 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.936 108.7 45.0 -63.4 -47.5 6.3 -13.7 12.5 25 26 A L H >X>S+ 0 0 65 -4,-2.5 3,-1.1 1,-0.2 5,-0.7 0.904 110.2 56.1 -64.4 -39.1 8.2 -11.4 10.2 26 27 A Y H ><5S+ 0 0 7 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.897 97.1 63.4 -56.9 -40.4 10.0 -14.4 8.7 27 28 A S H 3<5S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.696 102.0 49.6 -62.8 -25.1 6.7 -16.0 7.8 28 29 A Y H X<5S- 0 0 14 -3,-1.1 3,-1.7 -4,-0.6 -1,-0.3 0.516 95.4-143.8 -88.5 -9.3 5.9 -13.1 5.4 29 30 A H T <<5 - 0 0 6 -3,-1.8 -3,-0.1 -4,-0.5 50,-0.1 0.820 68.1 -55.2 48.4 41.6 9.3 -13.4 3.6 30 31 A N T >> S+ 0 0 5 1,-0.1 4,-2.8 2,-0.1 -1,-0.3 0.297 87.7 104.1 -97.3 14.0 5.8 -5.7 2.5 33 34 A N H <> S+ 0 0 34 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.949 84.4 40.5 -65.8 -55.5 9.5 -4.7 2.4 34 35 A G H X S+ 0 0 10 -4,-0.5 4,-2.1 36,-0.4 -1,-0.2 0.884 116.0 51.4 -59.4 -41.0 9.4 -2.6 -0.8 35 36 A F H > S+ 0 0 22 35,-0.5 4,-2.9 -4,-0.3 -2,-0.2 0.949 110.9 48.0 -59.6 -47.9 6.1 -1.0 0.1 36 37 A A H X S+ 0 0 21 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.867 111.4 50.8 -59.4 -39.1 7.4 -0.0 3.6 37 38 A A H X S+ 0 0 57 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.885 110.6 49.3 -68.1 -35.6 10.6 1.4 2.0 38 39 A G H X S+ 0 0 29 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.931 112.6 47.7 -67.0 -48.0 8.5 3.5 -0.4 39 40 A Y H X S+ 0 0 27 -4,-2.9 4,-2.4 1,-0.2 307,-0.2 0.905 110.8 51.7 -56.0 -46.8 6.3 4.8 2.4 40 41 A Q H < S+ 0 0 69 -4,-2.5 306,-3.0 -5,-0.2 -1,-0.2 0.903 116.8 37.9 -63.6 -44.1 9.4 5.6 4.5 41 42 A H H < S+ 0 0 128 -4,-2.0 -2,-0.2 304,-0.2 -1,-0.2 0.890 134.7 17.6 -70.8 -39.4 11.1 7.6 1.7 42 43 A N H < S- 0 0 115 -4,-2.9 3,-0.3 1,-0.3 -3,-0.2 0.530 95.6-123.6-114.5 -15.5 7.9 9.3 0.2 43 44 A G < - 0 0 14 -4,-2.4 -1,-0.3 -5,-0.4 3,-0.2 -0.514 41.8 -65.1 90.4-168.9 4.9 9.2 2.6 44 45 A F S > S+ 0 0 7 -2,-0.2 3,-1.8 1,-0.2 -1,-0.2 -0.006 82.8 125.6-114.8 22.4 1.5 7.8 2.0 45 46 A G T 3 S+ 0 0 72 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.856 78.6 45.0 -47.6 -45.6 0.3 10.2 -0.7 46 47 A L T 3 S- 0 0 180 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.325 101.4-148.1 -85.6 1.1 -0.6 7.3 -3.0 47 48 A G < - 0 0 11 -3,-1.8 -1,-0.3 1,-0.0 -2,-0.1 -0.248 34.8 -46.6 67.6-151.0 -2.3 5.2 -0.4 48 49 A L - 0 0 18 -4,-0.0 2,-0.2 21,-0.0 261,-0.1 -0.977 51.4-127.0-126.3 124.5 -2.4 1.5 -0.3 49 50 A P >> - 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.513 15.8-129.2 -74.5 141.7 -3.1 -0.8 -3.3 50 51 A A H 3> S+ 0 0 46 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.794 106.9 69.2 -55.5 -27.9 -5.9 -3.5 -3.0 51 52 A T H 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.794 95.8 53.3 -63.0 -27.7 -3.3 -6.0 -4.3 52 53 A L H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.906 109.3 48.1 -73.1 -40.1 -1.4 -5.6 -1.0 53 54 A V H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.933 112.8 47.6 -61.4 -46.9 -4.6 -6.4 1.0 54 55 A T H X S+ 0 0 30 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.888 111.5 51.8 -66.5 -37.7 -5.3 -9.4 -1.2 55 56 A A H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.896 109.8 48.9 -60.1 -44.5 -1.7 -10.6 -0.8 56 57 A L H < S+ 0 0 0 -4,-2.3 151,-0.3 1,-0.2 -2,-0.2 0.895 120.1 37.8 -64.1 -37.9 -1.9 -10.3 2.9 57 58 A L H < S+ 0 0 9 -4,-2.3 86,-2.1 -5,-0.2 87,-0.2 0.819 130.9 23.7 -81.3 -32.5 -5.1 -12.3 3.0 58 59 A G H < S- 0 0 0 -4,-2.5 88,-0.2 1,-0.3 -3,-0.2 0.503 97.4-129.9-117.9 -10.1 -4.5 -14.9 0.2 59 60 A G < - 0 0 6 -4,-1.9 2,-0.3 -5,-0.3 -1,-0.3 -0.239 27.1 -87.1 79.4-174.9 -0.8 -15.2 -0.0 60 61 A T - 0 0 37 -4,-0.1 2,-0.3 -2,-0.1 -29,-0.0 -0.949 13.8-135.0-130.8 150.8 1.2 -15.1 -3.2 61 62 A D S S- 0 0 127 -2,-0.3 2,-0.2 3,-0.0 3,-0.0 -0.979 70.1 -24.8-118.8 148.3 2.5 -17.3 -6.0 62 63 A S S S- 0 0 78 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.754 79.9 -34.9-159.1 115.5 5.6 -16.5 -6.4 63 64 A Q S S- 0 0 80 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.605 82.3 -14.4 170.0 141.4 8.1 -14.7 -6.3 64 65 A G S S+ 0 0 8 6,-0.1 -1,-0.4 -3,-0.0 2,-0.1 -0.710 82.2 50.6 72.8-154.1 8.3 -11.3 -6.7 65 66 A V + 0 0 95 -2,-0.3 6,-0.1 -3,-0.1 3,-0.0 -0.259 29.6 155.2-161.2 131.3 6.4 -9.2 -7.9 66 67 A I B > -A 69 0A 48 3,-0.6 3,-1.1 -2,-0.1 -1,-0.0 -0.860 44.9 -67.5-155.9 133.3 3.3 -7.7 -8.0 67 68 A P T 3 S- 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -16,-0.0 -0.215 108.0 -8.7 -79.5 163.3 1.4 -4.6 -8.9 68 69 A G T 3 S+ 0 0 52 -17,-0.1 -16,-0.2 -18,-0.1 -17,-0.1 0.512 107.7 99.7 -63.1 106.1 1.7 -1.9 -7.2 69 70 A I B < S-A 66 0A 14 -3,-1.1 -3,-0.6 -21,-0.1 2,-0.1 -0.916 72.8-130.2-164.8 99.7 3.7 -3.4 -4.4 70 71 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 -35,-0.5 -0.444 20.9-137.7 -66.4 149.2 7.4 -2.7 -4.9 71 72 A W - 0 0 93 -37,-0.2 -40,-0.1 -38,-0.1 -39,-0.1 -0.955 4.0-146.3-118.4 117.1 9.5 -5.7 -4.7 72 73 A N > - 0 0 40 -2,-0.5 3,-1.9 -42,-0.3 4,-0.2 -0.671 16.0-147.2 -72.3 118.0 12.9 -5.8 -2.9 73 74 A P T 3 S+ 0 0 84 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.779 96.5 51.6 -64.0 -24.3 14.8 -8.3 -5.0 74 75 A D T 3> S+ 0 0 107 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.207 73.9 120.5 -93.3 16.0 16.7 -9.6 -1.9 75 76 A S H <> S+ 0 0 2 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.830 72.2 48.4 -45.5 -45.5 13.5 -10.1 0.1 76 77 A E H > S+ 0 0 48 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.951 114.6 39.4 -69.4 -54.5 14.2 -13.8 0.6 77 78 A K H > S+ 0 0 138 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.833 115.2 55.0 -64.6 -35.4 17.7 -13.8 1.8 78 79 A L H X S+ 0 0 80 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.945 109.7 46.0 -60.4 -48.0 17.1 -10.8 3.9 79 80 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.918 114.4 47.4 -63.4 -50.2 14.2 -12.4 5.6 80 81 A L H X S+ 0 0 45 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.915 112.6 49.0 -56.0 -48.0 16.2 -15.7 6.2 81 82 A D H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.905 110.0 52.8 -60.6 -40.3 19.3 -13.9 7.5 82 83 A A H X S+ 0 0 59 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.927 110.7 45.5 -61.6 -44.6 17.1 -11.9 9.9 83 84 A V H <>S+ 0 0 2 -4,-2.1 5,-2.3 1,-0.2 -1,-0.2 0.898 113.1 51.4 -70.2 -35.3 15.4 -14.9 11.4 84 85 A K H ><5S+ 0 0 101 -4,-2.3 3,-1.4 3,-0.2 -1,-0.2 0.866 105.3 55.7 -63.3 -38.2 18.8 -16.6 11.7 85 86 A K H 3<5S+ 0 0 195 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.866 104.0 53.9 -64.0 -34.7 20.1 -13.6 13.5 86 87 A A T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.421 131.0 -96.0 -79.8 -2.5 17.3 -13.9 16.0 87 88 A G T < 5S+ 0 0 33 -3,-1.4 39,-0.6 1,-0.3 2,-0.4 0.424 82.0 123.9 111.9 2.1 18.4 -17.6 16.6 88 89 A W E < -B 125 0B 0 -5,-2.3 -1,-0.3 37,-0.1 37,-0.2 -0.811 33.0-177.3-110.8 141.4 16.1 -19.6 14.3 89 90 A T E -B 124 0B 59 35,-2.2 35,-2.8 -2,-0.4 -9,-0.0 -0.992 36.0-108.4-130.7 131.9 16.5 -22.1 11.5 90 91 A P E -B 123 0B 29 0, 0.0 2,-0.4 0, 0.0 33,-0.3 -0.281 33.4-130.1 -52.8 138.5 13.8 -23.7 9.5 91 92 A I - 0 0 2 31,-3.6 31,-0.2 15,-0.1 2,-0.1 -0.814 24.0-122.5 -94.6 139.3 13.4 -27.4 10.4 92 93 A T > - 0 0 73 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.360 13.1-119.9 -81.2 153.4 13.3 -29.7 7.4 93 94 A A H >>S+ 0 0 18 1,-0.2 5,-2.2 2,-0.2 4,-1.0 0.932 116.8 54.4 -58.6 -41.4 10.5 -32.2 6.5 94 95 A S H >45S+ 0 0 108 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.939 105.0 52.0 -58.7 -46.6 13.0 -35.0 6.8 95 96 A Q H 345S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.877 114.7 43.4 -56.4 -42.6 14.0 -33.9 10.4 96 97 A L H 3<5S- 0 0 11 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.579 108.3-122.8 -75.2 -12.3 10.3 -33.9 11.3 97 98 A G T <<5 + 0 0 48 -3,-1.1 2,-0.5 -4,-1.0 -3,-0.2 0.826 56.0 160.4 67.3 28.8 9.5 -37.2 9.6 98 99 A Y < - 0 0 28 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.776 32.3-164.9 -92.9 125.1 6.8 -35.3 7.6 99 100 A D + 0 0 164 -2,-0.5 -1,-0.1 -3,-0.1 -5,-0.1 0.481 59.7 90.3 -85.2 -8.7 5.7 -37.0 4.4 100 101 A G S S- 0 0 38 1,-0.1 2,-0.2 -7,-0.1 -2,-0.1 -0.034 82.1 -62.4 -89.8-171.3 4.0 -33.9 3.0 101 102 A K + 0 0 142 8,-0.1 8,-0.9 9,-0.1 2,-0.3 -0.482 41.2 170.5 -77.8 135.1 4.9 -30.9 0.8 102 103 A T B -C 108 0B 52 -2,-0.2 6,-0.2 6,-0.2 2,-0.0 -0.976 24.4-133.7-133.1 150.0 7.5 -28.1 1.6 103 104 A D > - 0 0 55 4,-1.5 3,-1.2 -2,-0.3 6,-0.0 -0.117 39.6 -79.3 -92.2-169.0 8.6 -25.5 -0.9 104 105 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.782 131.8 49.6 -64.0 -27.2 11.9 -24.2 -2.0 105 106 A R T 3 S- 0 0 58 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.556 120.4-107.2 -84.0 -14.1 12.0 -22.0 1.2 106 107 A G < + 0 0 23 -3,-1.2 16,-0.3 1,-0.3 2,-0.1 0.512 65.8 155.6 95.0 9.6 11.1 -24.9 3.5 107 108 A T - 0 0 0 14,-0.1 -4,-1.5 -17,-0.1 2,-0.3 -0.441 35.2-137.7 -71.7 140.4 7.6 -23.7 4.1 108 109 A F E -CD 102 120B 1 12,-2.7 12,-2.2 -6,-0.2 2,-0.3 -0.722 17.9-148.6 -98.9 148.9 4.9 -26.1 5.1 109 110 A F E - D 0 119B 33 -8,-0.9 10,-0.2 -2,-0.3 8,-0.1 -0.828 23.6 -83.9-120.8 158.1 1.4 -26.1 3.6 110 111 A G - 0 0 9 8,-2.0 69,-0.2 5,-0.5 68,-0.1 -0.123 27.7-148.4 -64.1 156.6 -2.1 -26.9 4.7 111 112 A E + 0 0 52 67,-1.9 2,-0.3 66,-0.3 67,-0.2 0.558 65.1 59.2-108.6 -20.2 -3.5 -30.4 4.5 112 113 A K S > S- 0 0 109 65,-0.1 3,-2.4 66,-0.1 4,-0.3 -0.862 92.1 -82.4-122.1 152.1 -7.2 -30.3 3.9 113 114 A A T 3 S+ 0 0 95 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 -0.258 120.3 28.4 -45.6 130.3 -9.5 -28.9 1.2 114 115 A G T 3 S+ 0 0 44 -4,-0.1 -1,-0.3 -3,-0.0 64,-0.1 0.212 121.4 55.8 97.8 -10.8 -10.0 -25.2 1.9 115 116 A Y X + 0 0 30 -3,-2.4 3,-1.5 62,-0.1 -5,-0.5 0.203 64.6 111.6-134.6 6.4 -6.6 -24.9 3.7 116 117 A T T 3 S+ 0 0 82 -4,-0.3 -3,-0.1 1,-0.3 -6,-0.1 0.685 80.9 48.2 -75.6 -15.1 -4.3 -26.0 1.1 117 118 A T T 3 S+ 0 0 26 -8,-0.1 -1,-0.3 2,-0.1 26,-0.1 0.503 84.2 111.9 -98.3 -2.1 -2.8 -22.5 0.7 118 119 A A < - 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0 0 68 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.388 53.1-112.2 -65.4 149.4 -15.3 -5.5 -4.5 154 155 A I H > S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.841 116.7 55.5 -57.3 -36.1 -12.6 -5.7 -1.9 155 156 A G H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.900 108.3 47.1 -62.1 -44.9 -14.9 -4.4 0.8 156 157 A D H > S+ 0 0 86 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.878 111.6 51.7 -62.3 -40.2 -17.5 -7.1 0.2 157 158 A V H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.930 112.5 44.5 -61.0 -48.0 -14.8 -9.7 0.2 158 159 A I H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.926 113.5 51.5 -62.5 -47.3 -13.4 -8.4 3.6 159 160 A N H X S+ 0 0 46 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.895 112.1 45.6 -57.7 -43.1 -16.9 -8.1 5.0 160 161 A D H X S+ 0 0 87 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.881 110.6 53.1 -71.1 -39.0 -17.8 -11.7 4.0 161 162 A L H >X S+ 0 0 33 -4,-2.3 4,-0.9 2,-0.2 3,-0.6 0.956 110.2 47.9 -58.0 -52.4 -14.5 -13.1 5.3 162 163 A L H >< S+ 0 0 7 -4,-2.5 3,-0.8 1,-0.2 4,-0.5 0.901 111.2 50.6 -53.7 -44.4 -15.1 -11.6 8.7 163 164 A A H 3< S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.757 109.1 52.6 -70.8 -22.7 -18.7 -12.8 8.9 164 165 A A H << S+ 0 0 55 -4,-1.3 6,-0.2 -3,-0.6 -1,-0.2 0.604 89.3 77.9 -90.1 -11.1 -17.6 -16.4 8.0 165 166 A F S << S+ 0 0 9 -4,-0.9 6,-2.7 -3,-0.8 7,-0.3 0.841 98.2 41.1 -68.3 -31.5 -14.9 -16.7 10.8 166 167 A G S > S+ 0 0 16 -4,-0.5 3,-1.4 -3,-0.2 4,-0.2 0.934 90.5 88.5 -85.1 -50.5 -17.3 -17.4 13.6 167 168 A P G > S+ 0 0 77 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.170 102.0 6.1 -53.9 144.1 -20.0 -19.7 12.3 168 169 A K G 3 S- 0 0 203 1,-0.3 5,-0.1 2,-0.1 -2,-0.1 0.731 121.6 -79.3 52.0 28.6 -19.5 -23.5 12.5 169 170 A D G <> S+ 0 0 77 -3,-1.4 4,-2.4 1,-0.1 -1,-0.3 0.797 80.9 155.4 57.4 35.3 -16.3 -22.8 14.5 170 171 A Y H <> S+ 0 0 52 -3,-1.8 4,-0.8 -6,-0.2 -4,-0.2 0.964 73.0 39.1 -57.9 -50.8 -14.4 -22.0 11.4 171 172 A A H >4 S+ 0 0 6 -6,-2.7 3,-0.8 1,-0.2 4,-0.4 0.927 115.2 52.5 -64.0 -47.6 -11.8 -19.9 13.2 172 173 A K H 34 S+ 0 0 80 -7,-0.3 3,-0.3 1,-0.2 4,-0.3 0.914 116.4 38.7 -54.4 -43.5 -11.5 -22.1 16.2 173 174 A N H 3X S+ 0 0 51 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.463 84.3 106.5 -89.7 -3.3 -10.8 -25.2 14.2 174 175 A Y H S+ 0 0 0 -4,-0.4 4,-3.2 -3,-0.3 -1,-0.2 0.878 111.8 55.4 -66.6 -35.9 -5.3 -25.1 12.7 176 177 A G H > S+ 0 0 14 -3,-0.3 4,-0.9 -4,-0.3 -1,-0.2 0.896 114.6 40.6 -56.0 -44.1 -6.8 -28.6 13.4 177 178 A E H < S+ 0 0 57 -4,-2.0 -66,-0.3 2,-0.2 -2,-0.2 0.897 123.6 37.6 -76.9 -41.0 -8.0 -28.7 9.8 178 179 A A H < S+ 0 0 0 -4,-2.7 -67,-1.9 -5,-0.3 -2,-0.2 0.869 135.1 11.6 -78.1 -42.4 -5.0 -27.1 8.2 179 180 A F H X S+ 0 0 2 -4,-3.2 4,-2.6 -5,-0.2 5,-0.2 0.112 79.0 124.6-133.6 27.7 -2.1 -28.6 10.2 180 181 A G H X S+ 0 0 14 -4,-0.9 4,-0.8 1,-0.2 -3,-0.1 0.854 82.9 40.0 -56.7 -44.9 -3.4 -31.4 12.3 181 182 A N H >> S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.904 113.2 53.5 -77.7 -42.4 -1.0 -34.1 11.0 182 183 A L H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.928 105.5 55.3 -57.5 -43.9 2.1 -31.8 10.9 183 184 A L H 3X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.817 103.1 55.6 -65.3 -25.7 1.5 -30.9 14.5 184 185 A N H <>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 3,-1.1 0.952 112.2 47.5 -60.0 -49.5 10.0 -32.3 20.3 191 192 A K H ><5S+ 0 0 132 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.907 106.7 58.0 -62.3 -38.6 9.8 -35.4 22.5 192 193 A A H 3<5S+ 0 0 82 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.697 110.4 44.4 -60.9 -22.7 12.8 -36.9 20.5 193 194 A N T <<5S- 0 0 73 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.178 120.8-106.5-105.9 13.6 14.8 -33.9 21.5 194 195 A G T < 5S+ 0 0 69 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.722 74.7 135.2 69.9 22.5 13.7 -33.8 25.1 195 196 A L < - 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