==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-12 4GW3 . COMPND 2 MOLECULE: PUTATIVE LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR T.P.KORMAN . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 1 0 0 3 1 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 95 0, 0.0 2,-0.2 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 -37.0 -0.7 25.0 -14.3 2 3 A T - 0 0 16 1,-0.1 35,-0.2 283,-0.1 279,-0.1 -0.580 360.0-134.0 -72.0 142.4 2.5 23.0 -14.4 3 4 A K S S+ 0 0 140 -2,-0.2 -1,-0.1 277,-0.1 282,-0.1 0.935 91.8 44.8 -60.0 -48.7 2.9 21.3 -17.8 4 5 A Y S S- 0 0 31 281,-2.3 68,-0.2 1,-0.1 33,-0.1 -0.748 99.2 -99.8-101.9 145.6 3.9 18.0 -16.1 5 6 A P - 0 0 5 0, 0.0 68,-3.0 0, 0.0 2,-0.4 -0.262 34.6-120.7 -62.3 148.6 2.2 16.4 -13.1 6 7 A I E -ab 38 73A 0 31,-2.9 33,-2.3 66,-0.2 2,-0.5 -0.776 22.3-162.2 -90.6 132.3 3.7 16.9 -9.7 7 8 A V E -ab 39 74A 0 66,-3.0 68,-2.6 -2,-0.4 2,-0.4 -0.955 7.3-150.9-117.3 111.7 4.6 13.7 -7.8 8 9 A L E -ab 40 75A 0 31,-3.0 33,-3.4 -2,-0.5 2,-0.4 -0.671 19.9-163.0 -77.0 131.4 5.1 14.1 -4.0 9 10 A V E +ab 41 76A 0 66,-2.3 68,-2.0 -2,-0.4 2,-0.3 -0.971 20.5 144.4-128.0 129.5 7.7 11.5 -2.8 10 11 A H E -a 42 0A 4 31,-1.8 33,-3.1 -2,-0.4 2,-0.2 -0.977 42.2-109.2-151.0 162.2 8.4 10.2 0.7 11 12 A G E S+a 43 0A 3 66,-0.4 33,-0.2 -2,-0.3 69,-0.1 -0.614 80.1 72.2 -87.5 158.5 9.4 7.1 2.6 12 13 A L > - 0 0 69 31,-1.9 3,-1.6 -2,-0.2 4,-0.3 0.851 51.2-167.2 94.5 76.6 7.0 5.3 4.9 13 14 A A T 3 S+ 0 0 57 30,-0.5 3,-0.3 1,-0.3 4,-0.3 0.836 88.7 50.1 -55.5 -38.3 4.4 3.6 2.7 14 15 A G T 3> S+ 0 0 28 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.319 79.7 104.4 -87.2 7.6 2.2 3.0 5.8 15 16 A F H <>>S+ 0 0 19 -3,-1.6 4,-3.4 1,-0.2 5,-0.6 0.936 80.3 44.4 -55.6 -55.9 2.2 6.6 7.1 16 17 A N H >5S+ 0 0 84 -3,-0.3 4,-1.9 -4,-0.3 -1,-0.2 0.894 116.8 45.9 -61.6 -42.1 -1.3 7.6 6.0 17 18 A E H 45S+ 0 0 173 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.930 121.4 36.7 -64.2 -47.5 -2.9 4.4 7.2 18 19 A I H <5S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.899 126.8 35.5 -75.9 -42.4 -1.1 4.4 10.6 19 20 A V H <5S- 0 0 23 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.829 99.7-130.4 -83.1 -35.6 -1.1 8.1 11.3 20 21 A G S <> S- 0 0 5 -16,-0.0 3,-1.5 -14,-0.0 4,-0.7 -0.699 101.0-141.3 -85.7 84.7 2.9 16.0 3.2 25 26 A Y T 34 - 0 0 78 231,-1.7 -2,-0.1 -2,-1.4 245,-0.0 -0.289 68.7 -23.0 -64.1 114.5 0.3 17.6 5.5 26 27 A G T 3> S+ 0 0 26 -2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.477 107.8 111.7 71.7 5.1 -2.2 19.7 3.4 27 28 A I H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 5,-0.2 0.924 72.9 46.6 -83.0 -46.1 0.2 20.1 0.6 28 29 A A H X S+ 0 0 14 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.897 113.0 53.1 -60.7 -40.6 -1.4 18.1 -2.2 29 30 A D H > S+ 0 0 103 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.938 110.9 45.8 -57.3 -50.2 -4.7 19.8 -1.3 30 31 A A H X S+ 0 0 16 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.905 111.4 51.5 -61.9 -44.9 -3.2 23.2 -1.7 31 32 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 3,-0.5 0.876 107.5 52.9 -61.7 -39.3 -1.4 22.4 -5.0 32 33 A R H ><5S+ 0 0 123 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.828 101.3 60.6 -66.5 -31.7 -4.6 21.1 -6.5 33 34 A Q H 3<5S+ 0 0 163 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 101.3 54.4 -63.9 -28.7 -6.4 24.4 -5.6 34 35 A D T <<5S- 0 0 62 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.293 127.1-102.0 -88.4 8.7 -3.8 26.2 -7.8 35 36 A G T < 5S+ 0 0 54 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.505 74.4 141.4 90.5 6.7 -4.8 23.9 -10.7 36 37 A H < - 0 0 8 -5,-1.8 2,-0.6 -35,-0.1 -1,-0.3 -0.529 54.1-124.6 -81.1 146.0 -1.8 21.5 -10.6 37 38 A Q - 0 0 101 -35,-0.2 -31,-2.9 -2,-0.2 2,-0.4 -0.840 39.9-172.0 -87.6 123.4 -2.3 17.7 -11.2 38 39 A V E +a 6 0A 2 -2,-0.6 2,-0.3 -33,-0.2 -31,-0.2 -0.948 17.8 172.5-128.9 138.1 -0.8 16.1 -8.1 39 40 A F E -a 7 0A 58 -33,-2.3 -31,-3.0 -2,-0.4 2,-0.5 -0.964 21.0-138.2-138.2 153.7 0.0 12.5 -7.1 40 41 A T E -a 8 0A 55 -2,-0.3 2,-0.6 -33,-0.2 -31,-0.2 -0.968 5.8-161.3-119.9 128.4 1.8 11.0 -4.0 41 42 A A E -a 9 0A 0 -33,-3.4 -31,-1.8 -2,-0.5 2,-0.8 -0.932 7.4-166.5-105.7 110.3 4.3 8.1 -4.1 42 43 A S E -a 10 0A 48 -2,-0.6 -31,-0.2 -33,-0.2 2,-0.1 -0.862 17.3-160.6-101.7 105.1 4.7 6.6 -0.7 43 44 A L E -a 11 0A 5 -33,-3.1 -31,-1.9 -2,-0.8 -30,-0.5 -0.421 26.5 -88.0 -95.7 163.5 7.8 4.4 -0.8 44 45 A S - 0 0 44 -33,-0.2 3,-0.3 -32,-0.2 -1,-0.1 -0.493 34.7-166.3 -78.1 113.5 9.0 1.5 1.4 45 46 A A S S+ 0 0 6 -2,-0.5 2,-1.2 1,-0.2 112,-0.2 0.781 73.5 68.4 -66.3 -37.9 11.1 2.9 4.2 46 47 A F S S+ 0 0 131 110,-0.1 2,-0.2 109,-0.1 -1,-0.2 -0.331 96.1 52.0 -92.7 55.6 12.7 -0.2 5.4 47 48 A N S S- 0 0 86 -2,-1.2 110,-0.2 -3,-0.3 2,-0.0 -0.875 92.1 -54.3-166.3-176.6 15.0 -0.9 2.5 48 49 A S > - 0 0 34 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.241 42.0-115.9 -73.7 161.7 17.7 0.6 0.2 49 50 A N H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 37,-0.1 0.834 117.0 56.8 -63.0 -34.6 17.4 3.8 -1.8 50 51 A E H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 104.9 50.6 -66.7 -39.0 17.8 1.7 -5.0 51 52 A V H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 112.0 47.0 -64.7 -44.2 14.7 -0.4 -4.0 52 53 A R H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.879 110.3 55.2 -62.0 -38.2 12.7 2.8 -3.4 53 54 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.915 109.5 44.5 -58.8 -46.5 14.1 4.1 -6.8 54 55 A K H X S+ 0 0 131 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.901 112.4 53.0 -66.5 -42.5 12.8 1.0 -8.6 55 56 A Q H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 110.5 47.8 -51.5 -49.5 9.5 1.3 -6.7 56 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.852 107.6 54.8 -65.6 -38.6 9.2 4.9 -7.8 57 58 A W H X S+ 0 0 39 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.908 109.0 48.2 -61.3 -43.2 10.0 4.0 -11.5 58 59 A Q H X S+ 0 0 111 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.906 112.5 49.6 -62.2 -43.3 7.1 1.5 -11.5 59 60 A F H X S+ 0 0 65 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 113.1 46.5 -57.4 -48.0 4.9 4.1 -10.0 60 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.890 109.6 53.4 -66.6 -41.4 5.9 6.7 -12.6 61 62 A Q H X S+ 0 0 82 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.937 112.6 44.2 -57.7 -48.6 5.5 4.3 -15.5 62 63 A T H X S+ 0 0 70 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.895 115.1 49.5 -63.7 -40.3 2.0 3.5 -14.4 63 64 A L H X S+ 0 0 16 -4,-2.3 4,-1.6 2,-0.2 6,-0.3 0.883 108.4 51.4 -67.0 -41.7 1.2 7.2 -13.9 64 65 A L H X S+ 0 0 24 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.876 109.8 50.9 -65.6 -37.3 2.6 8.3 -17.2 65 66 A Q H < S+ 0 0 142 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 112.9 46.4 -61.8 -39.4 0.4 5.7 -19.0 66 67 A E H < S+ 0 0 150 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.710 123.1 32.6 -79.6 -22.3 -2.6 7.0 -17.0 67 68 A T H < S- 0 0 34 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.631 90.4-135.9-104.7 -21.0 -2.0 10.7 -17.7 68 69 A Q < + 0 0 157 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.624 58.5 141.3 59.3 16.8 -0.3 10.6 -21.2 69 70 A A - 0 0 22 -5,-0.3 -1,-0.3 -6,-0.3 -2,-0.2 -0.533 50.2-146.5 -75.0 153.3 2.1 13.1 -19.7 70 71 A K S S+ 0 0 164 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.696 74.9 18.5 -94.6 -23.6 5.7 12.5 -21.0 71 72 A K - 0 0 57 -68,-0.1 2,-0.3 24,-0.1 24,-0.3 -0.882 65.5-136.7-140.6 169.0 7.4 13.6 -17.7 72 73 A V E - c 0 95A 0 22,-1.0 24,-2.4 -2,-0.3 25,-1.4 -0.935 13.8-133.0-126.7 153.9 6.9 14.2 -14.0 73 74 A N E -bc 6 97A 0 -68,-3.0 -66,-3.0 -2,-0.3 2,-0.4 -0.935 28.4-151.9-101.9 107.6 7.9 16.9 -11.6 74 75 A F E -bc 7 98A 0 23,-2.7 25,-2.3 -2,-0.7 2,-0.4 -0.672 16.8-177.8 -80.4 132.2 9.3 15.2 -8.4 75 76 A I E +bc 8 99A 1 -68,-2.6 -66,-2.3 -2,-0.4 2,-0.3 -0.911 20.2 177.7-125.9 103.6 9.0 17.0 -5.1 76 77 A G E -bc 9 100A 0 23,-2.6 25,-2.5 -2,-0.4 2,-0.4 -0.736 18.6-159.5-111.4 154.7 10.6 14.7 -2.5 77 78 A H E > - c 0 101A 1 -68,-2.0 3,-2.6 -2,-0.3 -66,-0.4 -0.983 61.3 -31.1-130.0 142.2 11.4 14.9 1.3 78 79 A S T 3 S+ 0 0 12 23,-1.1 26,-1.2 24,-0.5 4,-0.4 -0.314 140.5 8.3 58.5-120.1 13.9 13.0 3.4 79 80 A Q T >> S+ 0 0 10 1,-0.2 4,-1.2 24,-0.2 3,-1.1 0.814 119.8 79.4 -52.9 -34.3 14.3 9.6 1.7 80 81 A G H <> S+ 0 0 0 -3,-2.6 4,-2.1 1,-0.2 3,-0.2 0.831 83.6 55.3 -48.6 -51.0 12.2 10.8 -1.2 81 82 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.788 103.5 56.0 -59.7 -29.5 14.8 12.8 -3.2 82 83 A L H <> S+ 0 0 0 -3,-1.1 4,-1.9 -4,-0.4 -2,-0.2 0.929 109.0 46.4 -69.2 -43.4 17.2 9.8 -3.4 83 84 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.2 -1,-0.2 0.886 112.9 51.4 -61.8 -39.0 14.6 7.7 -5.0 84 85 A C H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.887 107.7 51.8 -63.8 -41.0 13.8 10.6 -7.3 85 86 A R H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.865 106.4 54.7 -63.9 -38.0 17.5 10.9 -8.2 86 87 A Y H X S+ 0 0 18 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.927 111.6 43.7 -58.8 -47.3 17.6 7.2 -9.1 87 88 A V H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.905 114.6 49.3 -67.7 -42.1 14.7 7.6 -11.5 88 89 A A H < S+ 0 0 1 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.881 113.0 47.4 -63.8 -41.2 16.2 10.9 -13.0 89 90 A A H < S+ 0 0 21 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.900 123.1 32.9 -63.2 -45.4 19.6 9.2 -13.5 90 91 A N H < S+ 0 0 67 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.749 133.8 24.8 -87.2 -29.2 18.2 6.1 -15.1 91 92 A Y >< + 0 0 75 -4,-3.1 3,-2.0 -5,-0.2 4,-0.2 -0.458 66.9 158.2-136.3 58.6 15.2 7.5 -16.9 92 93 A P G > S+ 0 0 30 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.780 70.9 62.5 -61.2 -33.3 15.9 11.2 -17.6 93 94 A D G 3 S+ 0 0 133 1,-0.3 -5,-0.1 -3,-0.1 3,-0.0 0.602 104.2 50.7 -68.9 -12.6 13.5 11.5 -20.5 94 95 A S G < S+ 0 0 25 -3,-2.0 -22,-1.0 -7,-0.2 2,-0.5 0.360 100.7 73.4-102.5 2.2 10.6 10.7 -18.0 95 96 A V E < +c 72 0A 0 -3,-1.4 -22,-0.2 -24,-0.3 3,-0.1 -0.965 47.1 178.0-124.4 117.2 11.7 13.3 -15.4 96 97 A A E S- 0 0 2 -24,-2.4 94,-2.0 -2,-0.5 2,-0.3 0.879 73.5 -7.3 -78.6 -42.9 11.1 17.0 -15.9 97 98 A S E -cd 73 190A 0 -25,-1.4 -23,-2.7 92,-0.2 2,-0.5 -0.997 48.5-147.9-154.3 154.3 12.5 18.0 -12.5 98 99 A V E -cd 74 191A 0 92,-2.9 94,-2.6 -2,-0.3 2,-0.6 -0.986 18.0-172.4-120.7 115.7 13.8 16.8 -9.2 99 100 A T E -cd 75 192A 0 -25,-2.3 -23,-2.6 -2,-0.5 2,-0.5 -0.956 8.4-158.2-109.7 119.5 13.1 19.1 -6.2 100 101 A S E -cd 76 193A 0 92,-3.0 94,-3.4 -2,-0.6 2,-0.6 -0.858 7.5-171.6-101.2 121.7 14.7 18.0 -3.0 101 102 A I E S-cd 77 194A 4 -25,-2.5 -23,-1.1 -2,-0.5 94,-0.2 -0.945 78.8 -28.6-115.0 109.9 13.3 19.3 0.3 102 103 A N S S+ 0 0 0 92,-1.9 -24,-0.5 -2,-0.6 -1,-0.2 0.893 92.4 176.9 47.5 44.3 15.5 18.5 3.3 103 104 A G - 0 0 0 91,-0.4 2,-1.7 135,-0.4 3,-0.2 -0.493 40.9-121.9 -75.4 148.1 16.7 15.4 1.4 104 105 A V > + 0 0 0 -26,-1.2 3,-0.9 1,-0.2 134,-0.2 -0.405 53.4 154.6 -86.3 60.6 19.4 13.2 2.9 105 106 A N T 3 S+ 0 0 0 -2,-1.7 -1,-0.2 132,-0.5 133,-0.2 0.627 75.6 21.6 -70.5 -21.6 21.6 13.8 -0.1 106 107 A H T 3 S- 0 0 55 131,-0.5 -1,-0.2 1,-0.3 58,-0.1 0.142 122.0 -85.2-130.0 23.9 24.9 13.2 1.7 107 108 A G < - 0 0 5 -3,-0.9 2,-0.5 130,-0.2 127,-0.4 -0.009 38.9 -90.1 94.6 163.8 23.8 11.1 4.7 108 109 A S > - 0 0 0 50,-2.7 4,-1.9 47,-0.2 52,-0.4 -0.948 15.7-154.0-117.7 123.2 22.5 11.7 8.1 109 110 A E H > S+ 0 0 46 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.816 99.6 53.0 -64.9 -31.6 24.8 12.1 11.2 110 111 A I H > S+ 0 0 2 122,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.866 106.3 52.8 -74.6 -34.6 22.0 10.9 13.5 111 112 A A H > S+ 0 0 2 121,-0.4 4,-1.9 47,-0.2 -2,-0.2 0.898 108.9 51.4 -59.9 -41.7 21.6 7.8 11.4 112 113 A D H X S+ 0 0 47 -4,-1.9 4,-1.6 46,-0.2 -2,-0.2 0.943 112.0 45.2 -59.2 -49.7 25.4 7.3 11.8 113 114 A L H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.887 108.7 57.1 -61.2 -40.9 25.1 7.6 15.6 114 115 A Y H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.881 106.0 50.2 -58.9 -40.8 22.1 5.3 15.6 115 116 A R H X S+ 0 0 86 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.867 109.2 51.1 -65.7 -38.8 24.1 2.5 13.9 116 117 A R H <>S+ 0 0 109 -4,-1.6 5,-3.1 2,-0.2 7,-0.3 0.876 110.8 49.5 -63.7 -39.3 26.9 3.0 16.5 117 118 A I H ><5S+ 0 0 17 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.916 112.1 47.3 -63.6 -46.4 24.3 2.7 19.2 118 119 A M H 3<5S+ 0 0 92 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.5 45.8 -63.7 -39.5 22.9 -0.5 17.6 119 120 A R T 3<5S- 0 0 168 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.434 110.0-125.9 -79.6 -1.5 26.4 -1.9 17.2 120 121 A K T < 5 + 0 0 178 -3,-0.9 2,-1.5 -4,-0.2 -3,-0.2 0.910 43.0 174.4 53.2 47.9 27.2 -0.9 20.8 121 122 A D < - 0 0 74 -5,-3.1 -1,-0.2 1,-0.2 -4,-0.1 -0.466 63.2 -71.8 -89.1 62.7 30.2 1.0 19.6 122 123 A S S S+ 0 0 108 -2,-1.5 -1,-0.2 1,-0.2 -5,-0.1 0.804 78.6 157.8 58.0 36.3 31.3 2.6 22.9 123 124 A I - 0 0 27 -7,-0.3 -1,-0.2 -6,-0.1 5,-0.1 -0.814 46.2-115.1 -89.3 123.2 28.5 5.2 23.1 124 125 A P >> - 0 0 62 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.276 22.5-117.6 -60.6 147.3 28.0 6.3 26.7 125 126 A E H 3> S+ 0 0 173 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.805 110.5 59.4 -57.8 -37.0 24.6 5.3 28.2 126 127 A Y H 3> S+ 0 0 150 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.845 109.3 45.0 -64.7 -32.5 23.4 8.9 28.8 127 128 A I H <> S+ 0 0 27 -3,-1.0 4,-2.5 2,-0.2 5,-0.3 0.898 109.8 55.1 -73.7 -43.2 23.7 9.6 25.0 128 129 A V H X S+ 0 0 38 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.930 111.3 45.0 -53.3 -47.8 22.0 6.2 24.2 129 130 A E H X S+ 0 0 120 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.911 111.5 51.2 -66.8 -44.4 19.0 7.1 26.3 130 131 A K H X S+ 0 0 109 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.913 114.6 43.9 -58.4 -44.6 18.7 10.7 25.0 131 132 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.932 116.6 45.0 -68.4 -46.4 18.7 9.5 21.4 132 133 A L H X S+ 0 0 20 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.882 112.8 50.8 -67.3 -39.3 16.3 6.6 21.9 133 134 A N H X S+ 0 0 89 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.863 109.1 52.7 -64.4 -37.1 13.9 8.7 24.0 134 135 A A H X S+ 0 0 4 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.945 112.2 43.5 -62.7 -49.8 13.9 11.4 21.3 135 136 A F H X S+ 0 0 17 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.893 112.3 53.7 -64.1 -41.0 13.0 8.8 18.6 136 137 A G H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.904 108.9 49.3 -58.0 -43.7 10.4 7.2 20.8 137 138 A T H X S+ 0 0 58 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.892 112.7 47.5 -63.3 -41.2 8.7 10.5 21.4 138 139 A I H X S+ 0 0 20 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.943 115.4 43.9 -65.3 -49.6 8.7 11.2 17.6 139 140 A I H X S+ 0 0 48 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.911 114.0 50.1 -62.7 -44.7 7.3 7.8 16.7 140 141 A S H X S+ 0 0 41 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.866 105.5 56.8 -65.1 -37.7 4.7 7.8 19.5 141 142 A T H < S+ 0 0 41 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.908 117.2 34.6 -59.3 -43.8 3.4 11.3 18.6 142 143 A F H < S+ 0 0 34 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.946 125.5 38.9 -75.3 -52.6 2.6 10.1 15.0 143 144 A S H < S- 0 0 31 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.736 106.1-121.9 -73.0 -24.6 1.6 6.5 15.7 144 145 A G < 0 0 66 -4,-2.4 -4,-0.1 -5,-0.3 -3,-0.1 0.067 360.0 360.0 103.4 -22.5 -0.3 7.4 18.9 145 146 A H 0 0 174 -6,-0.3 -2,-0.1 -9,-0.0 -3,-0.1 -0.999 360.0 360.0-146.3 360.0 1.7 5.1 21.2 146 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 147 149 A D > 0 0 126 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -32.9 10.2 0.3 20.3 148 150 A P G > + 0 0 27 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.784 360.0 65.7 -59.5 -26.0 12.4 3.3 19.3 149 151 A Q G > S+ 0 0 115 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.683 86.6 71.7 -64.4 -19.3 15.2 0.9 18.2 150 152 A D G X S+ 0 0 108 -3,-2.6 3,-1.1 1,-0.2 -1,-0.3 0.643 80.5 75.2 -69.6 -15.4 12.9 -0.4 15.4 151 153 A A G X> S+ 0 0 18 -3,-1.6 4,-1.4 -4,-0.3 3,-1.2 0.621 72.0 81.6 -72.6 -15.1 13.4 3.0 13.7 152 154 A I H <> S+ 0 0 33 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.796 77.5 72.3 -58.6 -28.5 16.9 1.9 12.6 153 155 A A H <4 S+ 0 0 26 -3,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.859 104.8 37.2 -53.5 -38.9 15.1 0.0 9.8 154 156 A A H <4 S+ 0 0 19 -3,-1.2 3,-0.4 -4,-0.2 -1,-0.2 0.801 118.2 49.2 -83.0 -32.6 14.5 3.4 8.1 155 157 A L H >< S+ 0 0 12 -4,-1.4 3,-1.9 1,-0.2 4,-0.3 0.651 88.3 83.2 -83.0 -17.9 17.8 5.0 9.1 156 158 A E G >< S+ 0 0 110 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.868 94.8 45.3 -54.5 -40.1 20.0 2.1 7.9 157 159 A S G 3 S+ 0 0 7 -3,-0.4 -1,-0.3 -4,-0.3 -108,-0.2 0.428 107.4 61.3 -84.2 0.8 19.9 3.5 4.3 158 160 A L G < S+ 0 0 4 -3,-1.9 -50,-2.7 4,-0.1 -47,-0.2 0.289 72.2 119.2-114.0 7.9 20.5 7.1 5.3 159 161 A T S <> S- 0 0 7 -3,-0.7 4,-2.5 -4,-0.3 5,-0.3 -0.287 77.0-111.6 -67.1 159.7 24.0 6.7 7.0 160 162 A T H > S+ 0 0 57 -52,-0.4 4,-2.4 1,-0.2 5,-0.2 0.908 118.8 51.4 -58.5 -42.9 26.9 8.7 5.5 161 163 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.918 112.6 44.3 -61.4 -45.9 28.5 5.5 4.3 162 164 A Q H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.899 115.8 45.6 -69.7 -40.8 25.3 4.2 2.6 163 165 A V H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.859 108.4 57.4 -71.8 -34.7 24.5 7.6 0.9 164 166 A T H X S+ 0 0 80 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.917 108.6 47.1 -58.8 -43.2 28.1 8.0 -0.2 165 167 A E H X S+ 0 0 96 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.891 112.8 49.2 -63.7 -41.7 27.8 4.7 -2.0 166 168 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 3,-0.5 0.942 110.4 50.5 -61.0 -47.7 24.5 5.8 -3.5 167 169 A N H < S+ 0 0 17 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.831 104.2 59.0 -60.2 -35.2 26.0 9.1 -4.6 168 170 A N H < S+ 0 0 124 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.876 112.8 38.7 -59.6 -39.9 28.9 7.2 -6.2 169 171 A K H < S+ 0 0 93 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.823 130.7 28.8 -79.6 -33.5 26.3 5.4 -8.4 170 172 A Y < + 0 0 28 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.598 67.1 155.5-130.4 70.7 24.1 8.5 -9.0 171 173 A P > + 0 0 72 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.503 25.3 139.3 -76.7 -3.0 26.3 11.6 -8.8 172 174 A Q T 3 S- 0 0 42 1,-0.3 -83,-0.1 -87,-0.1 14,-0.1 -0.120 75.8 -7.5 -55.6 128.4 24.0 13.8 -10.9 173 175 A A T 3 S+ 0 0 8 1,-0.2 68,-3.1 67,-0.1 9,-0.3 0.476 89.0 144.2 69.7 6.0 23.6 17.4 -9.7 174 176 A L < - 0 0 32 -3,-1.8 9,-0.3 66,-0.2 -1,-0.2 -0.481 60.3 -96.8 -70.9 147.5 25.5 17.0 -6.4 175 177 A P - 0 0 19 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.395 19.9-142.2 -68.2 143.3 27.5 20.1 -5.4 176 178 A K S S+ 0 0 199 5,-0.7 6,-0.1 1,-0.1 -2,-0.0 0.755 89.8 42.4 -75.2 -25.7 31.2 20.0 -6.3 177 179 A T S > S- 0 0 93 4,-0.2 3,-2.2 0, 0.0 -1,-0.1 -0.959 101.9 -96.2-120.2 141.1 32.1 21.8 -3.1 178 180 A P T 3 S+ 0 0 127 0, 0.0 3,-0.1 0, 0.0 59,-0.1 -0.310 111.9 11.4 -53.1 129.2 30.6 21.0 0.4 179 181 A G T 3 S+ 0 0 34 57,-0.4 2,-0.1 1,-0.2 58,-0.1 0.556 110.6 109.5 76.5 9.8 27.7 23.4 1.2 180 182 A G S < S- 0 0 14 -3,-2.2 2,-0.3 56,-0.1 -1,-0.2 -0.121 70.7 -91.5 -99.2-163.1 27.7 24.6 -2.4 181 183 A E - 0 0 99 -7,-0.1 -5,-0.7 -3,-0.1 -4,-0.2 -0.870 27.1-139.5-115.6 149.5 25.2 24.2 -5.3 182 184 A G - 0 0 12 59,-1.7 61,-0.1 -2,-0.3 2,-0.1 -0.365 46.4 -66.1 -91.2 179.1 25.1 21.5 -8.1 183 185 A D - 0 0 109 -9,-0.3 59,-0.2 1,-0.1 -1,-0.2 -0.454 37.8-141.8 -66.3 137.1 24.3 22.0 -11.7 184 186 A E S S+ 0 0 54 57,-0.2 7,-3.1 1,-0.2 2,-0.5 0.888 89.3 37.6 -66.4 -40.6 20.7 23.1 -12.3 185 187 A I E +E 190 0A 93 5,-0.2 2,-0.4 56,-0.1 -1,-0.2 -0.959 64.4 168.9-121.7 116.7 20.3 21.0 -15.4 186 188 A V E > S-E 189 0A 25 3,-2.3 3,-2.1 -2,-0.5 -14,-0.0 -0.995 77.5 -13.3-126.0 125.9 21.9 17.6 -15.8 187 189 A N T 3 S- 0 0 121 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.812 128.4 -56.2 53.5 34.6 20.9 15.3 -18.7 188 190 A G T 3 S+ 0 0 48 1,-0.3 2,-0.4 -95,-0.0 -1,-0.3 0.356 113.6 118.6 82.6 -5.4 17.9 17.6 -19.5 189 191 A V E < - E 0 186A 0 -3,-2.1 -3,-2.3 -101,-0.1 2,-0.4 -0.796 60.2-134.7 -96.5 134.0 16.5 17.2 -16.0 190 192 A H E -dE 97 185A 32 -94,-2.0 -92,-2.9 -2,-0.4 2,-0.4 -0.714 18.7-161.3 -87.5 136.7 16.2 20.3 -13.7 191 193 A Y E +d 98 0A 1 -7,-3.1 51,-2.6 -2,-0.4 2,-0.3 -0.976 13.3 170.9-122.5 129.5 17.4 19.9 -10.1 192 194 A Y E -df 99 242A 0 -94,-2.6 -92,-3.0 -2,-0.4 2,-0.4 -0.955 12.2-157.1-132.9 151.6 16.3 22.2 -7.2 193 195 A C E -df 100 243A 1 49,-2.1 51,-2.6 -2,-0.3 52,-0.6 -0.993 9.1-174.9-134.2 142.7 16.8 22.1 -3.4 194 196 A F E +df 101 245A 9 -94,-3.4 -92,-1.9 -2,-0.4 -91,-0.4 -0.867 17.7 164.5-118.2 160.9 15.2 23.5 -0.3 195 197 A G E - 0 0 0 50,-1.6 53,-0.7 -2,-0.3 2,-0.3 -0.915 15.2-165.3-158.6-177.8 16.5 23.1 3.2 196 198 A S E - f 0 248A 0 -2,-0.3 2,-0.3 51,-0.2 53,-0.2 -0.965 5.6-153.6-163.5 169.7 16.2 24.3 6.8 197 199 A Y - 0 0 39 51,-2.2 53,-0.4 -2,-0.3 33,-0.3 -0.966 35.1 -95.3-152.8 150.8 17.9 24.2 10.1 198 200 A I + 0 0 18 31,-2.2 2,-0.3 -2,-0.3 31,-0.2 -0.412 51.0 176.1 -65.6 133.0 16.8 24.6 13.7 199 201 A Q + 0 0 57 -2,-0.1 52,-0.0 50,-0.1 29,-0.0 -0.951 30.7 17.4-139.8 156.0 17.2 28.2 14.9 200 202 A G S S- 0 0 51 -2,-0.3 2,-0.2 3,-0.0 5,-0.0 0.178 92.4 -54.5 72.2 167.6 16.5 30.3 18.0 201 203 A L > - 0 0 149 1,-0.1 3,-1.5 3,-0.0 4,-0.1 -0.565 52.8-115.7 -78.4 147.5 15.7 29.3 21.6 202 204 A I G > S+ 0 0 74 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.780 105.8 74.2 -57.4 -31.8 12.7 26.9 21.9 203 205 A A G 3 S+ 0 0 82 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.792 96.5 48.8 -52.9 -34.0 10.6 29.4 23.9 204 206 A G G < S+ 0 0 38 -3,-1.5 -1,-0.3 1,-0.2 61,-0.2 0.257 76.9 106.5 -92.7 13.6 9.9 31.5 20.7 205 207 A E X - 0 0 0 -3,-2.0 3,-1.8 1,-0.2 60,-0.8 0.426 57.3-168.5 -77.6 0.6 8.8 28.6 18.5 206 208 A K G > S+ 0 0 117 -3,-0.4 3,-2.4 1,-0.3 4,-0.3 -0.235 73.1 22.8 51.8-118.0 5.1 29.5 18.5 207 209 A G G > S+ 0 0 21 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.750 117.1 65.5 -49.5 -31.9 3.1 26.6 17.0 208 210 A N G X S+ 0 0 3 -3,-1.8 3,-1.4 55,-0.8 6,-0.3 0.631 80.3 79.0 -69.5 -15.3 5.8 24.1 17.7 209 211 A L G < S+ 0 0 103 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.806 98.2 44.9 -61.1 -28.9 5.4 24.5 21.5 210 212 A L G < S+ 0 0 142 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.347 97.0 87.6 -94.4 3.6 2.3 22.2 21.2 211 213 A D X> - 0 0 4 -3,-1.4 3,-1.5 1,-0.1 4,-0.6 -0.899 61.4-163.1-106.2 105.8 4.2 19.8 18.9 212 214 A P H 3> S+ 0 0 71 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.707 85.0 67.2 -61.4 -20.8 6.0 17.1 21.0 213 215 A T H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.782 89.6 65.0 -69.5 -26.8 8.3 16.2 18.1 214 216 A H H <> S+ 0 0 1 -3,-1.5 4,-1.9 -6,-0.3 -1,-0.2 0.913 99.6 47.7 -68.0 -45.8 10.0 19.5 18.0 215 217 A A H X S+ 0 0 50 -4,-0.6 4,-1.4 -7,-0.2 -1,-0.2 0.869 112.6 52.4 -60.2 -36.7 11.8 19.3 21.4 216 218 A A H X S+ 0 0 6 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.890 106.9 51.1 -65.6 -41.9 12.9 15.8 20.4 217 219 A M H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.848 107.0 55.0 -63.8 -35.5 14.4 17.1 17.1 218 220 A R H X S+ 0 0 50 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.844 106.1 51.6 -65.2 -35.9 16.3 19.7 19.2 219 221 A V H >< S+ 0 0 52 -4,-1.4 3,-1.1 2,-0.2 4,-0.3 0.968 112.2 44.9 -62.0 -53.3 17.8 16.9 21.3 220 222 A L H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.856 104.6 65.6 -59.0 -37.3 18.9 15.0 18.2 221 223 A N H >< S+ 0 0 33 -4,-2.2 3,-1.1 1,-0.3 -1,-0.3 0.792 92.0 62.2 -53.7 -33.8 20.2 18.3 16.7 222 224 A T T << S+ 0 0 97 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.648 94.5 62.2 -71.8 -15.0 22.9 18.6 19.5 223 225 A F T < S+ 0 0 51 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.435 81.6 100.9 -94.0 1.6 24.6 15.4 18.4 224 226 A F < - 0 0 15 -3,-1.1 5,-0.1 -4,-0.2 9,-0.0 -0.630 61.7-151.8 -84.7 140.9 25.6 16.6 14.9 225 227 A T S S+ 0 0 121 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 0.835 91.7 74.7 -72.8 -35.8 29.1 17.8 14.2 226 228 A E S S- 0 0 49 1,-0.2 -2,-0.1 -3,-0.1 -1,-0.1 -0.704 77.0-159.7 -75.1 109.3 27.4 20.0 11.5 227 229 A K S S+ 0 0 179 -2,-0.9 2,-1.0 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