==== 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 TRANSFERASE 06-NOV-09 2WXB . COMPND 2 MOLECULE: ACETYLGLUTAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.RAMON-MAIQUES,F.GIL-ORTIZ,V.RUBIO . 515 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 7.2 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 44 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 4.3 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 1 0 2 4 1 0 5 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 3 5 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 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 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 M 0 0 155 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.6 -4.9 55.1 109.5 2 3 A N - 0 0 62 1,-0.1 171,-0.1 33,-0.1 172,-0.1 -0.339 360.0 -84.3 -68.1 154.9 -3.7 57.9 107.2 3 4 A P - 0 0 15 0, 0.0 171,-2.5 0, 0.0 2,-0.4 -0.193 37.0-144.8 -64.9 156.7 0.1 58.3 107.3 4 5 A L E -ab 37 174A 3 32,-2.5 34,-2.3 169,-0.2 2,-0.6 -0.990 4.1-151.0-118.1 129.0 1.9 60.4 109.9 5 6 A I E -ab 38 175A 0 169,-2.9 171,-2.5 -2,-0.4 2,-0.6 -0.914 6.9-163.9 -98.2 125.3 5.0 62.5 109.2 6 7 A I E -ab 39 176A 1 32,-3.1 34,-1.9 -2,-0.6 2,-0.5 -0.933 7.6-161.2-108.0 106.8 7.3 63.0 112.1 7 8 A K E -ab 40 177A 24 169,-2.7 171,-2.7 -2,-0.6 2,-0.6 -0.776 7.8-146.9 -91.5 127.3 9.7 65.8 111.3 8 9 A L E -ab 41 178A 1 32,-2.9 34,-0.8 -2,-0.5 171,-0.2 -0.839 8.0-136.9-101.0 123.8 12.9 65.8 113.5 9 10 A G >> - 0 0 4 169,-2.5 4,-1.9 -2,-0.6 3,-0.7 -0.357 25.5-112.1 -68.6 156.1 14.5 69.1 114.5 10 11 A G H 3> S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 35,-0.3 0.871 117.1 59.2 -57.6 -42.8 18.3 69.4 114.3 11 12 A V H 34 S+ 0 0 70 1,-0.2 -1,-0.2 2,-0.2 7,-0.2 0.832 106.4 49.6 -58.4 -31.3 18.6 69.6 118.1 12 13 A L H X4 S+ 0 0 0 -3,-0.7 3,-1.7 166,-0.2 7,-0.3 0.947 110.3 49.6 -70.5 -46.9 16.9 66.2 118.2 13 14 A L H 3< S+ 0 0 22 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.775 107.7 55.1 -61.1 -28.8 19.4 64.8 115.6 14 15 A D T 3< S+ 0 0 75 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.378 96.0 79.0 -88.5 5.6 22.4 66.2 117.5 15 16 A S <> - 0 0 30 -3,-1.7 4,-2.2 -5,-0.2 5,-0.2 -0.938 57.1-166.1-120.9 114.1 21.4 64.4 120.8 16 17 A E H > S+ 0 0 148 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.809 94.5 54.3 -64.4 -29.7 22.1 60.7 121.2 17 18 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 108.6 47.8 -69.0 -46.7 19.7 60.6 124.2 18 19 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.924 113.8 48.7 -54.9 -44.3 16.9 62.1 122.2 19 20 A L H X S+ 0 0 5 -4,-2.2 4,-2.9 -7,-0.3 5,-0.3 0.921 109.7 48.9 -70.4 -44.6 17.5 59.6 119.4 20 21 A E H X S+ 0 0 60 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.931 115.1 46.5 -57.7 -44.3 17.7 56.5 121.7 21 22 A R H X S+ 0 0 89 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.880 112.4 50.8 -65.0 -40.4 14.4 57.7 123.3 22 23 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.949 112.6 43.6 -63.3 -50.6 12.8 58.3 119.9 23 24 A F H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.835 112.4 52.8 -71.0 -30.7 13.7 55.0 118.4 24 25 A S H X S+ 0 0 50 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.926 111.3 47.6 -62.1 -48.7 12.6 53.1 121.6 25 26 A A H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.880 109.2 54.4 -57.1 -41.6 9.3 55.0 121.4 26 27 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 110.4 45.8 -61.6 -43.7 9.1 54.0 117.7 27 28 A V H X S+ 0 0 59 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.963 112.8 49.8 -59.4 -56.4 9.6 50.4 118.5 28 29 A N H >< S+ 0 0 87 -4,-2.7 3,-0.5 1,-0.2 4,-0.5 0.905 112.7 47.7 -47.8 -50.9 7.0 50.5 121.4 29 30 A Y H >X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 3,-1.4 0.918 110.3 50.9 -57.4 -48.4 4.4 52.2 119.1 30 31 A R H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.649 99.7 64.3 -71.5 -16.8 4.8 49.8 116.2 31 32 A E T << S+ 0 0 132 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.667 120.2 23.2 -77.0 -16.7 4.4 46.7 118.5 32 33 A S T <4 S+ 0 0 66 -3,-1.4 2,-0.4 -4,-0.5 -2,-0.2 0.497 122.7 47.9-124.6 -9.1 0.8 47.9 119.1 33 34 A H < - 0 0 62 -4,-1.7 -1,-0.2 -5,-0.1 214,-0.0 -0.998 51.1-159.1-144.3 139.3 -0.2 50.1 116.2 34 35 A Q + 0 0 168 -2,-0.4 -4,-0.1 -3,-0.1 105,-0.1 0.158 41.6 142.9-101.3 17.0 0.1 49.8 112.4 35 36 A R - 0 0 17 1,-0.1 2,-0.3 -32,-0.0 -33,-0.1 -0.351 59.8-109.9 -62.6 132.0 -0.2 53.5 111.5 36 37 A P - 0 0 34 0, 0.0 -32,-2.5 0, 0.0 2,-0.4 -0.506 39.8-162.6 -65.0 125.8 2.1 54.3 108.5 37 38 A L E -a 4 0A 7 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.919 13.4-177.6-114.1 138.5 5.0 56.5 109.8 38 39 A V E -a 5 0A 0 -34,-2.3 -32,-3.1 -2,-0.4 2,-0.4 -0.991 13.4-150.0-131.0 135.6 7.4 58.6 107.7 39 40 A I E -ac 6 143A 2 103,-2.7 105,-3.2 -2,-0.4 2,-0.4 -0.907 10.1-170.1-103.9 138.8 10.3 60.6 109.2 40 41 A V E +ac 7 144A 0 -34,-1.9 -32,-2.9 -2,-0.4 2,-0.3 -0.971 14.2 171.5-122.6 142.1 11.5 63.8 107.6 41 42 A H E -ac 8 145A 0 103,-2.1 105,-1.3 -2,-0.4 -32,-0.1 -0.995 22.1-156.3-148.5 157.1 14.8 65.5 108.7 42 43 A G - 0 0 9 -34,-0.8 105,-0.1 -2,-0.3 117,-0.1 -0.013 45.8 -79.7-103.2-143.9 17.2 68.2 108.0 43 44 A G > - 0 0 12 1,-0.2 3,-0.9 -2,-0.1 4,-0.1 0.813 42.8-167.3-100.0 -36.4 20.8 68.6 108.9 44 45 A G T >> - 0 0 22 1,-0.2 3,-0.6 2,-0.1 4,-0.5 -0.400 68.0 -33.6 65.8-150.1 21.3 69.7 112.5 45 46 A C H 3> S+ 0 0 39 -35,-0.3 4,-2.4 1,-0.2 5,-0.2 0.583 120.6 85.4 -81.0 -8.1 24.8 70.8 113.3 46 47 A V H <> S+ 0 0 41 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.836 89.4 49.8 -67.7 -33.0 26.6 68.4 111.0 47 48 A V H <> S+ 0 0 14 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.962 112.7 46.4 -63.2 -51.9 26.3 70.7 108.0 48 49 A D H X S+ 0 0 70 -4,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.877 112.8 49.5 -63.3 -40.8 27.7 73.7 109.8 49 50 A E H X S+ 0 0 127 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.891 111.9 48.9 -64.3 -41.4 30.6 71.8 111.4 50 51 A L H X S+ 0 0 14 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.959 112.1 48.6 -61.9 -48.5 31.5 70.4 108.0 51 52 A M H <>S+ 0 0 5 -4,-2.7 5,-2.5 2,-0.2 -2,-0.2 0.897 114.7 44.8 -57.6 -45.6 31.4 73.9 106.4 52 53 A K H ><5S+ 0 0 66 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.932 109.7 56.1 -64.9 -46.0 33.5 75.3 109.2 53 54 A G H 3<5S+ 0 0 41 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.837 111.7 43.4 -52.2 -36.1 35.8 72.3 108.9 54 55 A L T 3<5S- 0 0 26 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.276 111.9-121.7 -92.3 8.9 36.3 73.2 105.2 55 56 A N T < 5 + 0 0 139 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.903 61.2 148.3 48.0 47.5 36.7 77.0 106.0 56 57 A L < - 0 0 48 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.916 40.4-143.5-109.0 100.0 33.7 77.8 103.7 57 58 A P - 0 0 109 0, 0.0 2,-0.5 0, 0.0 -5,-0.0 -0.374 10.8-129.4 -63.3 143.4 31.9 80.8 105.1 58 59 A V - 0 0 58 9,-0.0 2,-0.3 -10,-0.0 9,-0.1 -0.860 21.6-159.1 -92.4 123.8 28.1 80.9 104.9 59 60 A K - 0 0 126 -2,-0.5 7,-3.2 7,-0.5 2,-0.3 -0.833 5.0-151.0 -99.3 143.8 26.7 84.1 103.4 60 61 A K E -H 65 0B 130 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.863 9.3-159.6-114.9 148.8 23.1 85.2 103.9 61 62 A K E > S-H 64 0B 87 3,-3.5 3,-1.6 -2,-0.3 -2,-0.0 -0.967 84.4 -25.5-124.9 109.2 20.7 87.2 101.7 62 63 A N T 3 S- 0 0 172 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.866 131.7 -43.2 52.6 40.4 17.8 88.7 103.8 63 64 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.324 120.0 104.5 93.7 -5.7 18.2 85.9 106.4 64 65 A L E < S-H 61 0B 80 -3,-1.6 -3,-3.5 57,-0.0 2,-0.3 -0.886 73.1-110.7-114.3 142.5 18.6 83.0 103.9 65 66 A R E -H 60 0B 93 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.3 -0.498 20.3-131.2 -77.2 125.2 21.9 81.2 103.1 66 67 A V - 0 0 25 -7,-3.2 -7,-0.5 -2,-0.3 53,-0.2 -0.590 24.3-166.8 -67.8 129.8 23.5 81.6 99.7 67 68 A T B -i 119 0C 3 51,-3.1 53,-3.4 -2,-0.3 90,-0.1 -0.788 7.8-164.4-126.2 84.8 24.2 78.1 98.5 68 69 A P >> - 0 0 41 0, 0.0 3,-2.2 0, 0.0 4,-1.9 -0.170 36.2-101.8 -71.1 167.4 26.5 78.2 95.5 69 70 A A H 3> S+ 0 0 67 1,-0.3 4,-0.7 2,-0.2 50,-0.0 0.831 122.1 59.7 -51.2 -38.0 27.2 75.4 93.1 70 71 A D H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.330 112.8 36.1 -81.5 6.0 30.5 74.8 95.0 71 72 A Q H <> S+ 0 0 19 -3,-2.2 4,-2.6 2,-0.1 5,-0.3 0.542 94.4 79.9-123.6 -25.8 28.8 74.1 98.3 72 73 A I H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.862 94.6 51.1 -56.6 -35.7 25.6 72.3 97.4 73 74 A D H X S+ 0 0 69 -4,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.901 110.8 47.6 -69.2 -38.7 27.5 68.9 97.0 74 75 A I H > S+ 0 0 34 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.942 114.7 46.5 -64.4 -43.7 29.1 69.3 100.4 75 76 A I H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.917 110.1 52.8 -65.8 -44.3 25.8 70.1 102.0 76 77 A T H X>S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.3 5,-1.0 0.901 108.5 52.4 -57.0 -42.4 24.0 67.3 100.2 77 78 A G H X>S+ 0 0 4 -4,-2.0 5,-2.2 263,-0.2 4,-0.7 0.922 112.4 42.8 -59.2 -47.1 26.7 65.0 101.6 78 79 A A H <>S+ 0 0 3 -4,-2.1 5,-2.5 3,-0.2 -2,-0.2 0.873 127.5 29.5 -69.1 -35.7 26.2 66.1 105.2 79 80 A L H <>S+ 0 0 7 -4,-2.5 5,-1.3 3,-0.2 -3,-0.2 0.945 129.2 32.0 -96.8 -57.6 22.4 66.1 105.1 80 81 A A H <5S+ 0 0 0 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.719 134.7 30.9 -70.4 -26.7 21.3 63.5 102.6 81 82 A G T XS+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 -2,-0.2 0.928 110.7 46.8 -57.7 -48.2 16.8 52.3 112.9 92 93 A K H ><5S+ 0 0 36 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.918 106.3 56.5 -64.0 -46.8 18.9 49.2 112.3 93 94 A K H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.2 45.3 -48.9 -39.7 20.1 49.1 115.9 94 95 A H T 3<5S- 0 0 31 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.184 116.5-115.2 -93.6 15.7 16.4 49.0 116.9 95 96 A Q T < 5 + 0 0 180 -3,-2.4 2,-0.5 315,-0.2 -3,-0.2 0.799 65.0 148.0 56.6 33.1 15.5 46.3 114.3 96 97 A I < - 0 0 8 -5,-2.8 2,-1.4 -6,-0.1 -1,-0.2 -0.877 51.5-129.5 -99.8 128.9 13.2 48.8 112.5 97 98 A A + 0 0 47 -2,-0.5 44,-2.3 42,-0.2 2,-0.2 -0.607 43.3 169.8 -79.2 90.6 13.0 48.3 108.7 98 99 A A E -d 141 0A 11 -2,-1.4 267,-0.8 42,-0.2 2,-0.4 -0.679 23.5-157.6-101.5 154.4 13.7 51.8 107.5 99 100 A V E -d 142 0A 1 42,-1.9 44,-2.4 -2,-0.2 2,-0.3 -0.980 16.1-136.2-131.4 124.7 14.4 53.1 104.0 100 101 A G E +d 143 0A 0 -2,-0.4 2,-0.3 42,-0.2 44,-0.2 -0.613 30.6 167.1 -82.6 136.2 16.3 56.3 103.4 101 102 A L E -d 144 0A 0 42,-2.6 44,-2.6 -2,-0.3 2,-0.3 -0.908 25.6-144.5-133.4 163.1 15.0 58.7 100.7 102 103 A F E > -d 145 0A 2 -2,-0.3 3,-1.4 42,-0.2 6,-0.3 -0.737 44.4 -93.7-114.8 173.3 15.6 62.3 99.6 103 104 A L T 3 >S+ 0 0 0 44,-2.3 6,-2.0 42,-0.5 5,-0.5 0.798 121.4 59.3 -59.1 -28.8 12.8 64.5 98.3 104 105 A G T > 5S+ 0 0 11 43,-0.4 3,-2.6 3,-0.2 2,-0.3 0.712 76.2 105.1 -74.6 -22.8 13.6 63.6 94.7 105 106 A D G X 5S- 0 0 0 -3,-1.4 3,-1.3 1,-0.3 27,-0.2 -0.474 106.7 -6.0 -64.7 122.8 13.0 59.8 95.1 106 107 A G G 3 5S- 0 0 16 251,-0.7 25,-0.3 -2,-0.3 22,-0.3 0.649 115.1 -86.1 64.9 18.0 9.7 59.1 93.4 107 108 A D G < 5S+ 0 0 51 -3,-2.6 21,-2.7 20,-0.1 -1,-0.3 0.889 76.9 164.7 44.0 43.1 9.4 62.9 93.0 108 109 A S < < + 0 0 0 -3,-1.3 19,-1.1 -5,-0.5 2,-0.4 0.884 69.4 17.2 -58.3 -41.6 7.9 62.7 96.5 109 110 A V E S-J 126 0D 1 -6,-2.0 -1,-0.3 17,-0.2 2,-0.2 -0.986 84.4-138.8-131.2 121.5 8.3 66.5 96.9 110 111 A K E -J 125 0D 83 15,-1.6 15,-2.1 -2,-0.4 2,-0.4 -0.563 20.2-160.0 -80.7 142.9 8.9 68.7 93.9 111 112 A V E -J 124 0D 4 38,-0.6 40,-0.4 -2,-0.2 2,-0.3 -0.987 13.0-176.3-131.6 131.3 11.4 71.4 94.2 112 113 A T E -J 123 0D 62 11,-1.7 11,-2.9 -2,-0.4 2,-0.4 -0.840 43.8 -90.8-112.8 160.9 12.0 74.6 92.2 113 114 A Q E -J 122 0D 80 -2,-0.3 9,-0.2 9,-0.2 3,-0.2 -0.599 32.1-152.6 -72.7 126.2 14.8 77.1 92.7 114 115 A L S S- 0 0 74 7,-2.7 2,-0.3 -2,-0.4 -1,-0.2 0.927 72.7 -10.3 -65.9 -46.5 13.7 79.8 95.2 115 116 A D >> - 0 0 73 6,-0.5 3,-1.6 4,-0.4 4,-0.7 -0.949 54.6-133.5-159.5 127.7 15.9 82.6 93.9 116 117 A E G >4 S+ 0 0 164 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.838 109.1 57.9 -49.8 -36.4 18.8 82.7 91.4 117 118 A E G 34 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.683 104.5 49.6 -73.4 -18.6 20.8 84.8 94.0 118 119 A L G <4 S- 0 0 5 -3,-1.6 -51,-3.1 1,-0.3 2,-0.4 0.528 94.8-159.1 -92.7 -7.4 20.5 82.1 96.7 119 120 A G B << +i 67 0C 14 -3,-0.8 2,-1.3 -4,-0.7 -4,-0.4 -0.528 68.2 18.7 68.3-120.7 21.7 79.5 94.2 120 121 A H S S+ 0 0 21 -53,-3.4 37,-2.8 -2,-0.4 2,-0.5 -0.259 86.6 123.6 -89.8 50.7 20.8 76.0 95.3 121 122 A V E - k 0 157D 21 -2,-1.3 -7,-2.7 -6,-0.3 -6,-0.5 -0.950 48.4-151.8-105.3 128.7 18.0 76.8 97.8 122 123 A G E -Jk 113 158D 3 35,-2.5 37,-0.5 -2,-0.5 2,-0.5 -0.685 12.1-139.6-105.2 153.8 14.8 75.0 96.8 123 124 A L E -J 112 0D 73 -11,-2.9 -11,-1.7 -2,-0.3 2,-0.2 -0.967 27.9-129.0-110.7 122.7 11.2 75.7 97.3 124 125 A A E +J 111 0D 22 -2,-0.5 -13,-0.2 -13,-0.2 39,-0.0 -0.490 29.0 174.5 -74.9 142.8 9.1 72.7 98.2 125 126 A Q E -J 110 0D 97 -15,-2.1 -15,-1.6 -2,-0.2 41,-0.1 -0.974 43.3 -87.1-141.2 147.4 5.9 71.8 96.4 126 127 A P E +J 109 0D 69 0, 0.0 -17,-0.2 0, 0.0 41,-0.1 -0.333 53.8 178.0 -60.5 141.8 3.7 68.8 96.7 127 128 A G - 0 0 17 -19,-1.1 -19,-0.3 39,-0.3 -18,-0.2 0.114 36.7 -41.4-114.5-137.1 4.8 65.9 94.6 128 129 A S - 0 0 39 -21,-2.7 4,-0.3 -22,-0.3 3,-0.3 -0.917 33.3-163.8-107.8 126.5 3.8 62.3 93.9 129 130 A P > + 0 0 40 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.445 65.6 99.3 -82.7 -2.0 2.8 60.0 96.7 130 131 A K H > S+ 0 0 138 -24,-0.2 4,-2.0 1,-0.2 5,-0.1 0.903 81.8 42.2 -59.5 -50.9 3.3 56.8 94.7 131 132 A L H > S+ 0 0 0 -25,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.955 117.4 45.1 -64.1 -52.5 6.7 55.6 95.8 132 133 A I H > S+ 0 0 0 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.921 111.2 53.8 -62.7 -40.3 6.2 56.3 99.5 133 134 A N H X S+ 0 0 71 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 108.9 49.8 -55.4 -42.1 2.8 54.7 99.5 134 135 A S H X S+ 0 0 15 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.893 111.3 48.2 -69.4 -37.8 4.3 51.6 98.0 135 136 A L H <>S+ 0 0 4 -4,-2.2 5,-2.2 2,-0.2 3,-0.3 0.931 112.8 48.1 -61.9 -48.2 7.1 51.5 100.7 136 137 A L H ><5S+ 0 0 26 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.895 107.2 56.1 -60.1 -42.7 4.5 52.0 103.5 137 138 A E H 3<5S+ 0 0 164 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.4 50.4 -57.5 -35.9 2.3 49.2 102.1 138 139 A N T 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.366 124.2-103.6 -86.4 3.6 5.3 46.9 102.3 139 140 A G T < 5S+ 0 0 48 -3,-1.7 -42,-0.2 1,-0.3 2,-0.2 0.642 72.0 141.0 88.5 16.3 6.0 47.8 105.9 140 141 A Y < - 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0 0 8 4,-2.9 3,-2.1 -2,-0.3 -38,-0.1 -0.332 36.6-104.9 -72.7 165.7 14.8 70.3 90.3 151 152 A D T 3 S+ 0 0 73 -40,-0.4 203,-0.2 1,-0.3 -1,-0.1 0.810 123.3 54.7 -64.7 -25.3 13.2 68.7 87.3 152 153 A E T 3 S- 0 0 136 2,-0.1 -1,-0.3 201,-0.1 200,-0.1 0.422 126.9 -98.5 -86.0 -4.1 16.3 69.7 85.2 153 154 A G S < S+ 0 0 10 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.694 72.8 142.1 99.0 23.4 18.6 67.9 87.7 154 155 A Q - 0 0 99 197,-0.1 -4,-2.9 195,-0.0 -1,-0.3 -0.850 48.6-127.2 -99.6 124.4 19.9 70.7 90.0 155 156 A L E - L 0 149D 9 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.3 -0.440 28.9-165.6 -68.5 144.6 20.2 69.7 93.6 156 157 A M E - L 0 148D 4 -8,-2.6 -8,-2.7 -2,-0.1 2,-0.5 -0.992 21.8-136.4-137.5 138.2 18.5 72.0 96.2 157 158 A N E -kL 121 147D 37 -37,-2.8 -35,-2.5 -2,-0.4 2,-0.4 -0.843 32.0-164.4 -90.7 126.9 18.7 72.5 99.9 158 159 A V E -k 122 0D 3 -12,-2.3 -35,-0.1 -2,-0.5 2,-0.1 -0.935 29.4-102.8-121.9 135.7 15.1 72.8 101.2 159 160 A N > - 0 0 75 -37,-0.5 4,-2.6 -2,-0.4 5,-0.2 -0.367 33.9-140.3 -52.2 125.1 13.8 74.1 104.6 160 161 A A H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.798 98.2 54.5 -70.8 -33.2 13.0 70.9 106.4 161 162 A D H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 113.7 43.7 -60.6 -45.0 9.7 72.2 108.0 162 163 A Q H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.884 112.1 52.7 -67.5 -40.6 8.5 73.2 104.5 163 164 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.929 110.9 47.3 -57.1 -48.9 9.7 69.9 103.0 164 165 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.885 111.1 52.0 -62.7 -38.5 7.8 68.0 105.7 165 166 A T H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 110.4 47.7 -63.3 -43.6 4.7 70.2 105.0 166 167 A A H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 -39,-0.3 0.889 112.7 49.0 -65.7 -39.2 4.9 69.5 101.3 167 168 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 6,-0.3 0.897 109.3 51.8 -67.0 -41.5 5.3 65.8 101.9 168 169 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-1.2 0.912 111.6 47.3 -60.4 -45.0 2.3 65.7 104.3 169 170 A A H <5S+ 0 0 40 -4,-2.1 3,-0.4 3,-0.2 -1,-0.2 0.925 111.6 52.2 -60.1 -44.7 0.2 67.5 101.7 170 171 A T H <5S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 118.3 35.0 -57.8 -42.0 1.4 64.9 99.1 171 172 A L H <5S- 0 0 19 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.550 105.4-118.7 -91.2 -10.1 0.5 61.9 101.2 172 173 A G T <5 + 0 0 35 -4,-1.2 -3,-0.2 -3,-0.4 2,-0.1 0.819 67.5 155.1 63.0 34.0 -2.6 63.3 102.8 173 174 A A < - 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