==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-NOV-06 2NW6 . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR M.LUIC,Z.STEFANIC . 319 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 2 0 0 1 1 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 0 116 0, 0.0 2,-0.2 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 -56.9 20.6 -2.4 13.4 2 2 A D - 0 0 65 37,-1.1 3,-0.2 0, 0.0 0, 0.0 -0.814 360.0 -97.0-155.1-164.6 19.3 -1.5 9.9 3 3 A N > + 0 0 104 -2,-0.2 3,-1.5 1,-0.1 38,-0.1 -0.052 69.4 126.3-120.4 31.8 18.9 1.4 7.5 4 4 A Y T 3 S+ 0 0 71 1,-0.3 312,-0.2 38,-0.0 37,-0.2 0.845 86.1 34.4 -56.6 -37.0 15.3 2.3 8.2 5 5 A A T 3 S+ 0 0 0 35,-2.7 2,-1.6 32,-0.2 -1,-0.3 0.160 82.0 133.5-105.7 17.4 16.3 5.9 8.8 6 6 A A < - 0 0 26 -3,-1.5 36,-0.2 34,-0.4 2,-0.1 -0.501 34.3-176.8 -74.0 88.4 19.1 6.1 6.3 7 7 A T - 0 0 18 -2,-1.6 36,-0.2 2,-0.1 309,-0.1 -0.493 33.9-122.4 -82.3 156.2 18.4 9.4 4.5 8 8 A R S S+ 0 0 191 307,-0.2 -1,-0.1 -2,-0.1 72,-0.1 0.910 97.4 45.3 -63.6 -43.9 20.5 10.5 1.5 9 9 A Y S S- 0 0 36 1,-0.1 72,-0.2 69,-0.1 34,-0.2 -0.784 100.4 -95.8-104.8 145.6 21.5 13.8 3.2 10 10 A P - 0 0 6 0, 0.0 72,-3.0 0, 0.0 2,-0.4 -0.221 36.6-127.2 -56.7 145.2 22.6 14.2 6.8 11 11 A I E -ab 44 82A 3 32,-2.8 34,-2.7 70,-0.2 2,-0.5 -0.818 19.1-162.8 -96.5 133.9 19.9 15.2 9.3 12 12 A I E -ab 45 83A 0 70,-2.7 72,-2.6 -2,-0.4 2,-0.5 -0.979 9.0-148.6-118.3 118.9 20.6 18.2 11.5 13 13 A L E -ab 46 84A 0 32,-2.5 34,-2.3 -2,-0.5 2,-0.6 -0.762 13.4-159.0 -87.1 129.7 18.4 18.5 14.6 14 14 A V E - b 0 85A 0 70,-3.1 72,-2.5 -2,-0.5 75,-0.2 -0.920 4.0-149.7-119.3 110.7 17.8 22.2 15.5 15 15 A H - 0 0 0 -2,-0.6 77,-0.1 32,-0.3 3,-0.1 -0.163 9.4-143.3 -71.1 165.9 16.8 23.1 19.1 16 16 A G > - 0 0 0 1,-0.3 3,-1.5 72,-0.2 71,-0.1 -0.054 51.7 -11.7-108.8-151.2 14.6 26.1 20.1 17 17 A L T 3 S+ 0 0 53 1,-0.2 -1,-0.3 146,-0.1 35,-0.2 -0.118 129.7 8.5 -49.9 143.7 14.5 28.6 23.0 18 18 A T T 3 S+ 0 0 45 33,-2.4 -1,-0.2 1,-0.2 33,-0.2 0.137 106.7 131.9 69.7 -19.2 16.7 27.8 26.0 19 19 A G < + 0 0 4 -3,-1.5 2,-0.3 32,-0.4 -1,-0.2 0.178 28.3 159.0 -63.5 176.1 18.2 25.0 24.1 20 20 A T - 0 0 0 -3,-0.1 9,-0.3 27,-0.1 3,-0.3 -0.866 58.3 -91.4-178.1 170.3 21.7 23.7 23.3 21 21 A D S S+ 0 0 38 1,-0.3 8,-2.0 -2,-0.3 9,-0.4 0.933 115.7 9.7 -66.8 -41.5 22.8 20.3 22.1 22 22 A K E > S-G 28 0B 79 6,-0.2 3,-2.9 7,-0.1 -1,-0.3 -0.912 81.6-126.3-143.0 111.9 23.4 19.2 25.7 23 23 A Y E >> S-G 27 0B 46 4,-2.7 3,-2.7 -2,-0.4 4,-2.1 -0.351 99.9 -6.7 -56.4 124.6 22.3 21.2 28.8 24 24 A A T 34 S- 0 0 66 126,-2.9 -1,-0.3 1,-0.3 127,-0.1 0.774 122.5 -75.6 56.8 25.3 25.3 21.6 31.0 25 25 A G T <4 S+ 0 0 45 -3,-2.9 -1,-0.3 125,-0.6 -2,-0.2 0.653 131.3 77.3 61.7 14.7 27.0 19.3 28.5 26 26 A V T <4 S+ 0 0 118 -3,-2.7 2,-0.7 1,-0.2 -2,-0.2 0.763 76.6 57.3-117.8 -53.7 25.0 16.5 30.3 27 27 A L E < S-G 23 0B 51 -4,-2.1 -4,-2.7 4,-0.0 -1,-0.2 -0.789 75.5-132.9 -94.7 114.1 21.3 16.4 29.2 28 28 A E E -G 22 0B 30 -2,-0.7 3,-0.4 -6,-0.3 -6,-0.2 -0.394 3.5-148.0 -64.3 131.0 20.5 16.0 25.5 29 29 A Y S S+ 0 0 8 -8,-2.0 2,-1.5 -9,-0.3 -1,-0.1 0.941 100.7 49.3 -63.0 -47.7 17.9 18.4 24.2 30 30 A W S >> S- 0 0 5 -9,-0.4 3,-1.7 -17,-0.1 4,-0.8 -0.642 101.9-141.6 -92.2 77.2 16.7 15.8 21.7 31 31 A Y T 34 - 0 0 75 -2,-1.5 -2,-0.1 259,-0.9 -4,-0.0 -0.175 68.9 -25.6 -50.5 112.5 16.5 13.0 24.4 32 32 A G T 3> S+ 0 0 26 1,-0.1 4,-1.6 -2,-0.1 -1,-0.3 0.462 109.7 111.9 63.2 3.9 17.7 9.7 23.0 33 33 A I H <> S+ 0 0 1 -3,-1.7 4,-2.5 2,-0.2 5,-0.2 0.921 71.2 48.2 -75.2 -46.5 16.8 10.8 19.5 34 34 A Q H X S+ 0 0 39 -4,-0.8 4,-2.4 1,-0.2 5,-0.2 0.924 113.7 49.8 -60.8 -42.7 20.2 11.1 17.9 35 35 A E H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.0 48.9 -61.3 -45.3 21.1 7.6 19.2 36 36 A D H X S+ 0 0 21 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.941 112.6 47.0 -60.7 -49.3 17.9 6.1 17.9 37 37 A L H ><>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 3,-0.7 0.914 112.1 49.8 -59.9 -45.0 18.3 7.5 14.4 38 38 A Q H ><5S+ 0 0 94 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.875 105.4 57.2 -63.1 -38.0 22.0 6.5 14.2 39 39 A Q H 3<5S+ 0 0 112 -4,-2.1 -37,-1.1 1,-0.3 -1,-0.3 0.781 106.5 52.3 -63.4 -25.0 21.1 3.0 15.2 40 40 A R T <<5S- 0 0 53 -4,-1.0 -35,-2.7 -3,-0.7 -34,-0.4 0.035 131.0 -89.9-100.8 25.4 18.8 2.9 12.3 41 41 A G T < 5S+ 0 0 26 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.469 79.8 136.7 86.8 3.8 21.3 4.0 9.7 42 42 A A < - 0 0 8 -5,-2.2 2,-0.7 -36,-0.2 -1,-0.2 -0.565 51.4-135.9 -88.7 149.3 21.0 7.8 9.8 43 43 A T - 0 0 72 -36,-0.2 -32,-2.8 -2,-0.2 2,-0.4 -0.914 38.2-178.9 -98.6 113.3 23.9 10.3 9.8 44 44 A V E -a 11 0A 5 -2,-0.7 2,-0.4 -34,-0.2 -32,-0.2 -0.961 19.6-176.8-126.9 136.9 22.8 12.8 12.4 45 45 A Y E -a 12 0A 75 -34,-2.7 -32,-2.5 -2,-0.4 2,-0.6 -0.958 17.1-144.0-126.0 143.9 24.3 16.0 13.8 46 46 A V E -a 13 0A 23 -2,-0.4 -32,-0.2 -34,-0.2 -25,-0.1 -0.934 18.2-133.7-114.4 115.6 22.9 18.2 16.6 47 47 A A - 0 0 0 -34,-2.3 2,-0.4 -2,-0.6 -32,-0.3 -0.260 8.3-154.7 -64.8 149.9 23.2 21.9 16.3 48 48 A N + 0 0 46 -28,-0.1 2,-0.2 16,-0.1 -28,-0.1 -0.866 31.7 157.6-128.1 93.4 24.4 23.9 19.3 49 49 A L - 0 0 4 -2,-0.4 2,-0.1 1,-0.1 106,-0.1 -0.579 52.3 -66.8-112.9 175.4 23.1 27.5 19.0 50 50 A S - 0 0 0 -2,-0.2 3,-0.2 1,-0.2 -31,-0.2 -0.409 38.0-148.1 -59.9 131.0 22.4 30.4 21.3 51 51 A G S S+ 0 0 2 1,-0.3 -33,-2.4 -33,-0.2 2,-0.4 0.744 89.9 40.0 -74.4 -20.5 19.5 29.4 23.5 52 52 A F S S+ 0 0 12 105,-0.3 107,-2.7 -35,-0.2 2,-0.3 -0.914 87.5 91.8-134.6 107.0 18.4 33.0 23.5 53 53 A Q - 0 0 11 -2,-0.4 2,-0.1 105,-0.2 7,-0.1 -0.964 69.6 -91.0-176.0 169.2 18.6 35.1 20.4 54 54 A S - 0 0 20 -2,-0.3 7,-2.4 2,-0.2 8,-0.2 -0.354 34.3-127.7 -82.6 175.3 16.6 36.3 17.4 55 55 A D S S+ 0 0 0 5,-0.3 7,-1.9 6,-0.2 8,-0.4 0.783 89.8 50.7 -96.4 -33.2 16.9 34.1 14.2 56 56 A D S S+ 0 0 47 6,-0.1 -2,-0.2 5,-0.1 5,-0.2 -0.430 81.7 68.6 -94.7 175.1 17.8 36.9 11.8 57 57 A G S > S- 0 0 32 -2,-0.1 3,-1.1 1,-0.1 6,-0.5 -0.038 93.6 -74.4 98.3 157.2 20.6 39.4 12.3 58 58 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.853 134.4 35.7 -55.8 -39.7 24.4 39.2 12.5 59 59 A N T 3 S+ 0 0 104 -3,-0.1 -2,-0.1 4,-0.1 -3,-0.1 0.367 98.1 121.2 -97.4 3.7 24.4 37.6 15.9 60 60 A G S <> S- 0 0 1 -3,-1.1 4,-1.3 1,-0.1 -5,-0.3 -0.094 76.7-111.3 -69.2 165.4 21.2 35.5 15.3 61 61 A R H > S+ 0 0 0 -7,-2.4 4,-2.7 1,-0.2 5,-0.2 0.766 111.2 67.2 -64.8 -27.6 20.7 31.8 15.4 62 62 A G H > S+ 0 0 0 -7,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.942 103.2 40.9 -60.6 -51.4 20.2 31.7 11.6 63 63 A E H > S+ 0 0 76 -6,-0.5 4,-2.4 -8,-0.4 -1,-0.2 0.837 114.2 56.0 -66.4 -31.7 23.8 32.7 10.7 64 64 A Q H X S+ 0 0 39 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.930 110.2 43.5 -64.6 -45.3 24.9 30.3 13.5 65 65 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.893 111.5 54.8 -67.6 -39.6 23.0 27.4 11.9 66 66 A L H X S+ 0 0 17 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.937 110.2 45.7 -58.8 -47.9 24.2 28.4 8.4 67 67 A A H X S+ 0 0 55 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.905 113.7 50.0 -62.4 -40.8 27.9 28.3 9.6 68 68 A Y H X S+ 0 0 59 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.911 106.8 54.5 -64.4 -42.4 27.2 25.0 11.4 69 69 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.920 105.9 53.3 -56.9 -44.3 25.6 23.5 8.3 70 70 A K H X S+ 0 0 118 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.867 107.8 49.9 -61.3 -35.6 28.7 24.3 6.3 71 71 A T H X S+ 0 0 80 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.855 110.2 50.7 -71.9 -32.8 30.9 22.5 8.8 72 72 A V H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 6,-0.3 0.910 110.1 49.5 -69.1 -41.6 28.6 19.4 8.6 73 73 A L H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.928 111.5 49.2 -62.2 -44.0 28.8 19.4 4.8 74 74 A A H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 113.3 46.9 -64.3 -34.5 32.6 19.7 4.9 75 75 A A H < S+ 0 0 74 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 121.5 34.2 -79.1 -30.0 32.9 16.8 7.4 76 76 A T H < S- 0 0 51 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.691 98.3-127.3 -97.3 -23.7 30.5 14.4 5.7 77 77 A G < + 0 0 65 -4,-2.6 -3,-0.2 1,-0.3 -4,-0.1 0.474 63.6 139.8 87.1 2.2 31.2 15.3 2.1 78 78 A A - 0 0 27 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.1 -0.302 49.7-149.4 -75.5 163.1 27.5 15.8 1.6 79 79 A T S S+ 0 0 88 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.620 76.0 22.8-107.0 -20.2 26.1 18.7 -0.5 80 80 A K - 0 0 50 -72,-0.1 2,-0.3 -7,-0.1 24,-0.2 -0.933 64.4-146.1-142.9 164.7 22.8 19.2 1.3 81 81 A V E - c 0 104A 0 22,-1.8 24,-2.8 -2,-0.3 25,-1.0 -0.917 17.2-126.9-132.1 159.6 21.2 18.6 4.7 82 82 A N E -bc 11 106A 10 -72,-3.0 -70,-2.7 -2,-0.3 2,-0.5 -0.938 29.5-149.5-105.2 115.9 17.7 17.8 6.1 83 83 A L E -bc 12 107A 0 23,-2.5 25,-2.5 -2,-0.6 2,-0.5 -0.774 16.6-178.5 -92.6 127.4 16.8 20.3 8.7 84 84 A V E -bc 13 108A 7 -72,-2.6 -70,-3.1 -2,-0.5 2,-0.4 -0.964 12.2-177.7-124.7 109.9 14.6 19.2 11.6 85 85 A G E -bc 14 109A 0 23,-2.8 25,-2.8 -2,-0.5 2,-0.4 -0.878 17.2-152.0-116.5 146.1 13.7 21.9 14.0 86 86 A H E > - c 0 110A 0 -72,-2.5 3,-2.5 -2,-0.4 25,-0.2 -0.923 65.4 -34.3-112.0 135.2 11.7 22.0 17.2 87 87 A S T >> S+ 0 0 13 23,-2.6 3,-2.2 -2,-0.4 4,-0.5 -0.299 140.1 2.5 57.9-130.2 10.0 25.1 18.5 88 88 A Q H >> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-1.0 0.770 122.1 77.8 -58.5 -23.4 12.1 28.2 17.5 89 89 A G H <> S+ 0 0 0 -3,-2.5 4,-1.9 1,-0.3 -1,-0.3 0.781 87.6 58.5 -56.5 -26.7 14.4 25.7 15.8 90 90 A G H <> S+ 0 0 0 -3,-2.2 4,-1.8 2,-0.2 -1,-0.3 0.844 104.7 48.5 -71.5 -34.2 11.9 25.6 12.9 91 91 A L H < + 0 0 8 -4,-2.4 3,-2.2 -5,-0.3 4,-0.4 -0.399 67.6 159.8-138.6 58.6 21.1 29.1 1.4 101 101 A P G > S+ 0 0 15 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.791 71.7 63.6 -51.7 -33.3 18.5 27.1 -0.6 102 102 A D G 3 S+ 0 0 82 1,-0.2 -5,-0.1 -3,-0.1 101,-0.1 0.656 99.7 53.4 -68.2 -17.2 21.3 25.1 -2.3 103 103 A L G < S+ 0 0 26 -3,-2.2 -22,-1.8 -7,-0.2 2,-0.4 0.456 98.8 76.0 -97.8 -1.3 22.4 23.6 1.0 104 104 A V E < +c 81 0A 0 -3,-1.2 -22,-0.2 -4,-0.4 3,-0.1 -0.918 41.6 174.6-118.6 137.9 19.0 22.3 2.1 105 105 A A E S- 0 0 13 -24,-2.8 100,-1.9 -2,-0.4 2,-0.3 0.668 74.4 -3.1-104.8 -30.2 17.0 19.3 0.9 106 106 A S E -cd 82 205A 0 -25,-1.0 -23,-2.5 98,-0.3 2,-0.4 -0.992 51.8-147.3-160.5 160.0 14.1 19.5 3.4 107 107 A V E -cd 83 206A 0 98,-2.4 100,-2.7 -2,-0.3 2,-0.4 -0.988 15.8-179.5-135.2 123.1 12.7 21.4 6.3 108 108 A T E -cd 84 207A 0 -25,-2.5 -23,-2.8 -2,-0.4 2,-0.4 -0.990 8.6-163.2-123.7 129.4 10.6 19.7 9.0 109 109 A T E -cd 85 208A 0 98,-1.9 100,-1.5 -2,-0.4 2,-0.5 -0.945 3.8-163.8-118.1 136.1 9.2 21.8 11.9 110 110 A I E S-cd 86 209A 0 -25,-2.8 -23,-2.6 -2,-0.4 100,-0.2 -0.960 77.6 -21.2-120.3 113.3 8.0 20.3 15.2 111 111 A G S S+ 0 0 0 98,-2.2 -1,-0.2 -2,-0.5 99,-0.1 0.887 90.1 168.2 56.6 41.0 5.8 22.5 17.3 112 112 A T - 0 0 0 97,-0.3 2,-2.1 160,-0.3 3,-0.2 -0.743 39.3-133.6 -91.2 129.9 7.3 25.6 15.7 113 113 A P > + 0 0 3 0, 0.0 3,-1.7 0, 0.0 159,-0.2 -0.462 38.1 161.9 -80.5 70.6 5.6 29.0 16.3 114 114 A H T 3 S+ 0 0 1 -2,-2.1 62,-0.2 157,-1.4 158,-0.1 0.794 84.4 35.2 -59.4 -27.3 5.5 30.1 12.7 115 115 A R T 3 S- 0 0 47 156,-0.5 -1,-0.3 1,-0.4 58,-0.2 0.174 122.6-107.9-110.6 14.5 2.9 32.7 13.7 116 116 A G < - 0 0 1 -3,-1.7 2,-0.4 155,-0.2 -1,-0.4 -0.252 35.9 -76.8 88.7-179.4 4.4 33.3 17.2 117 117 A S >> - 0 0 10 50,-2.7 4,-1.8 150,-0.1 3,-0.6 -0.986 14.7-149.2-127.8 130.3 3.2 32.3 20.6 118 118 A E H 3> S+ 0 0 32 -2,-0.4 4,-1.8 1,-0.3 -1,-0.1 0.757 104.3 59.8 -65.7 -22.4 0.3 33.9 22.6 119 119 A F H 3> S+ 0 0 41 147,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.826 102.4 51.2 -74.5 -29.9 2.4 32.9 25.7 120 120 A A H <> S+ 0 0 9 -3,-0.6 4,-2.8 47,-0.3 5,-0.2 0.905 108.4 51.0 -70.4 -41.3 5.2 35.1 24.4 121 121 A D H X S+ 0 0 25 -4,-1.8 4,-2.2 46,-0.2 -2,-0.2 0.908 111.4 51.0 -59.2 -41.4 2.8 38.0 24.0 122 122 A F H X S+ 0 0 72 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.954 111.0 44.2 -60.4 -56.4 1.7 37.3 27.6 123 123 A V H X S+ 0 0 50 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.911 114.2 50.7 -58.1 -44.5 5.2 37.3 29.1 124 124 A Q H X S+ 0 0 86 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.898 110.4 50.6 -60.9 -39.7 6.1 40.4 27.1 125 125 A G H X S+ 0 0 28 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.913 106.2 54.9 -64.3 -42.8 3.0 42.1 28.3 126 126 A V H >< S+ 0 0 80 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.922 107.3 49.8 -56.5 -47.1 3.7 41.2 31.9 127 127 A L H >< S+ 0 0 25 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.850 102.8 62.6 -61.3 -33.6 7.1 42.9 31.7 128 128 A A H 3< S+ 0 0 77 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.699 88.6 70.9 -65.8 -19.6 5.5 46.0 30.2 129 129 A Y T << S+ 0 0 205 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.517 75.0 91.5 -76.8 -4.3 3.5 46.5 33.4 130 130 A D X - 0 0 44 -3,-1.6 3,-1.1 -4,-0.2 6,-0.1 -0.820 64.4-162.3 -91.6 104.7 6.7 47.5 35.3 131 131 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.696 89.0 52.3 -61.1 -19.4 6.6 51.3 34.8 132 132 A T T 3 S- 0 0 91 -3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.676 96.2-141.4 -89.3 -19.6 10.3 51.5 35.7 133 133 A G X> + 0 0 30 -3,-1.1 3,-1.1 -6,-0.2 4,-1.0 0.358 66.7 121.6 75.6 -6.7 11.3 48.9 33.1 134 134 A L H 3> + 0 0 108 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.820 61.8 64.1 -58.0 -34.9 13.9 47.5 35.6 135 135 A S H 3> S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.827 98.0 56.0 -60.7 -32.2 12.3 44.1 35.6 136 136 A S H <> S+ 0 0 30 -3,-1.1 4,-2.0 -9,-0.2 -1,-0.2 0.910 111.0 44.3 -65.5 -41.4 13.2 43.6 32.0 137 137 A T H X S+ 0 0 96 -4,-1.0 4,-2.1 -3,-0.2 -2,-0.2 0.939 117.5 44.1 -67.4 -48.6 16.8 44.4 32.8 138 138 A V H X S+ 0 0 91 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.950 117.0 43.8 -62.7 -52.2 16.9 42.1 35.9 139 139 A I H X S+ 0 0 77 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.900 112.3 53.6 -62.1 -41.1 15.0 39.2 34.3 140 140 A A H X S+ 0 0 7 -4,-2.0 4,-3.4 -5,-0.3 20,-0.3 0.933 108.7 49.1 -59.1 -46.5 17.1 39.4 31.1 141 141 A A H X S+ 0 0 53 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.912 112.7 49.1 -59.0 -42.6 20.3 39.2 33.1 142 142 A F H X S+ 0 0 157 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.934 115.2 42.3 -62.6 -48.7 18.9 36.2 34.9 143 143 A V H X S+ 0 0 35 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.887 113.2 52.7 -67.6 -39.5 17.8 34.4 31.8 144 144 A N H X S+ 0 0 35 -4,-3.4 4,-2.3 -5,-0.2 -1,-0.2 0.894 109.3 49.2 -64.5 -39.2 21.0 35.3 29.9 145 145 A V H X S+ 0 0 74 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.919 108.4 54.4 -65.0 -41.6 23.2 33.9 32.7 146 146 A F H X S+ 0 0 86 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.922 107.7 51.2 -55.9 -44.6 21.0 30.8 32.6 147 147 A G H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 110.9 46.6 -58.8 -48.3 21.8 30.5 28.9 148 148 A I H < S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 114.3 47.5 -60.9 -45.4 25.5 30.8 29.4 149 149 A L H < S+ 0 0 117 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 118.1 39.4 -67.5 -34.9 25.6 28.3 32.3 150 150 A T H < S+ 0 0 25 -4,-2.3 -126,-2.9 -5,-0.2 -125,-0.6 0.730 88.3 106.4 -88.8 -23.5 23.5 25.7 30.5 151 151 A S S >< S- 0 0 5 -4,-2.2 3,-1.7 -5,-0.3 -131,-0.1 -0.344 74.2-133.9 -55.9 130.5 25.0 26.1 27.0 152 152 A S T 3 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.1 -129,-0.1 0.787 109.7 33.9 -58.6 -26.5 27.3 23.1 26.4 153 153 A S T 3 S- 0 0 68 2,-0.0 -1,-0.3 0, 0.0 3,-0.2 0.168 112.7-116.1-113.3 14.5 29.9 25.6 25.2 154 154 A N < - 0 0 94 -3,-1.7 2,-0.1 1,-0.2 -6,-0.1 0.878 40.8-162.4 50.3 42.0 29.0 28.4 27.6 155 155 A N - 0 0 39 -8,-0.2 -1,-0.2 1,-0.2 -4,-0.2 -0.366 12.3-161.2 -56.9 122.3 28.1 30.5 24.6 156 156 A T + 0 0 111 -3,-0.2 2,-1.8 -2,-0.1 -1,-0.2 0.517 65.6 100.1 -86.3 -6.0 28.0 34.1 25.8 157 157 A N + 0 0 44 -10,-0.1 2,-0.4 -9,-0.1 -105,-0.3 -0.611 51.3 139.8 -82.7 83.0 25.9 35.2 22.9 158 158 A Q + 0 0 19 -2,-1.8 -105,-0.2 -108,-0.1 2,-0.2 -0.994 25.7 173.0-129.2 134.1 22.6 35.3 24.7 159 159 A D > + 0 0 64 -107,-2.7 4,-2.3 -2,-0.4 3,-0.4 -0.652 1.4 177.3-142.8 79.4 19.9 37.9 24.3 160 160 A A H > S+ 0 0 12 -20,-0.3 4,-2.3 1,-0.2 5,-0.2 0.838 82.1 53.5 -51.7 -40.6 16.8 36.8 26.2 161 161 A L H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 109.2 47.6 -66.1 -38.7 14.9 40.0 25.4 162 162 A A H > S+ 0 0 24 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.898 111.6 52.5 -67.4 -38.9 15.5 39.6 21.6 163 163 A A H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.903 109.0 48.5 -62.4 -44.0 14.4 36.0 21.9 164 164 A L H < S+ 0 0 35 -4,-2.3 4,-0.5 2,-0.2 3,-0.3 0.929 112.3 48.1 -62.7 -46.5 11.1 37.0 23.6 165 165 A K H >< S+ 0 0 104 -4,-2.0 3,-1.5 1,-0.2 6,-0.3 0.918 107.1 57.7 -59.7 -44.6 10.4 39.6 21.0 166 166 A T H 3< S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.3 49.5 -54.9 -37.0 11.1 37.1 18.3 167 167 A L T 3< S+ 0 0 17 -4,-1.4 -50,-2.7 -3,-0.3 -47,-0.3 0.482 85.5 107.1 -86.3 -3.2 8.5 34.7 19.6 168 168 A T S <> S- 0 0 4 -3,-1.5 4,-2.4 -4,-0.5 5,-0.2 -0.380 78.4-119.2 -72.8 156.3 5.6 37.3 19.9 169 169 A T H > S+ 0 0 48 -52,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.862 111.9 51.6 -64.4 -37.5 2.8 37.1 17.3 170 170 A A H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.929 113.9 42.7 -66.5 -45.0 3.4 40.6 16.0 171 171 A Q H > S+ 0 0 49 -6,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.894 109.8 57.2 -68.7 -40.0 7.1 40.0 15.4 172 172 A A H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 103.2 55.3 -57.9 -38.1 6.5 36.5 14.0 173 173 A A H X S+ 0 0 43 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.908 108.8 47.2 -61.4 -41.7 4.2 38.2 11.4 174 174 A T H X S+ 0 0 49 -4,-1.3 4,-2.2 2,-0.2 3,-0.5 0.899 108.0 55.6 -66.4 -41.1 7.1 40.5 10.4 175 175 A Y H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.917 105.9 51.8 -57.2 -43.9 9.5 37.5 10.2 176 176 A N H < S+ 0 0 17 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.775 108.5 51.6 -65.2 -25.9 7.2 35.8 7.7 177 177 A Q H < S+ 0 0 140 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.873 115.7 40.3 -76.1 -38.9 7.1 39.0 5.6 178 178 A N H < S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.781 128.5 32.0 -79.4 -29.1 11.0 39.1 5.6 179 179 A Y S < S- 0 0 49 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.557 84.1-176.9-129.3 66.9 11.4 35.4 5.1 180 180 A P - 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