==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-MAR-11 3QZE . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.SCHNELL,T.SANDALOVA,G.SCHNEIDER . 1161 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 849 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.2 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 0.3 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 . 70 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 437 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.4 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 4 0 4 4 7 0 4 5 8 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 12 12 4 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 . 7 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 0 0 0 4 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 M 0 0 166 0, 0.0 2,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.2 35.7 9.0 11.4 2 2 A I + 0 0 26 69,-0.1 2,-0.3 96,-0.1 36,-0.1 -0.641 360.0 92.3 -95.6 81.8 37.8 8.3 8.2 3 3 A A + 0 0 15 -2,-1.7 198,-0.3 34,-0.1 2,-0.2 -0.971 57.1 33.9-157.2 172.4 41.1 7.7 9.9 4 4 A G E S+a 201 0A 5 196,-2.4 198,-2.9 -2,-0.3 2,-0.9 -0.512 103.9 2.7 76.9-146.3 43.2 4.8 11.3 5 5 A S E +a 202 0A 0 30,-0.2 32,-2.3 196,-0.2 33,-1.2 -0.725 66.2 179.4 -86.7 106.8 43.5 1.3 10.0 6 6 A M E -ab 203 38A 0 196,-2.5 198,-2.3 -2,-0.9 2,-0.3 -0.942 23.2-134.2-112.4 115.9 41.3 1.0 6.9 7 7 A V E -ab 204 39A 0 31,-2.2 33,-3.0 -2,-0.6 2,-1.4 -0.501 2.7-142.1 -76.5 128.9 41.3 -2.4 5.3 8 8 A A E - b 0 40A 7 196,-2.5 33,-0.1 -2,-0.3 200,-0.1 -0.742 39.9-146.0 -80.2 88.2 41.8 -2.6 1.5 9 9 A L - 0 0 3 31,-2.3 34,-0.4 -2,-1.4 33,-0.2 -0.339 4.7-130.4 -76.4 134.6 39.3 -5.4 1.5 10 10 A V - 0 0 2 36,-0.1 36,-0.3 195,-0.1 -1,-0.1 -0.351 16.8-127.6 -65.1 162.4 39.5 -8.3 -1.0 11 11 A T - 0 0 2 34,-0.5 2,-0.2 30,-0.1 251,-0.0 -0.955 28.2-137.3-110.8 109.2 36.4 -9.4 -2.9 12 12 A P - 0 0 2 0, 0.0 8,-2.2 0, 0.0 2,-0.4 -0.473 22.1-172.5 -75.9 139.0 36.0 -13.1 -2.4 13 13 A F B -IJ 19 265B 0 252,-0.5 252,-1.7 250,-0.3 6,-0.2 -0.970 22.9-120.8-125.6 142.8 35.1 -15.3 -5.3 14 14 A D > - 0 0 28 4,-2.6 3,-2.9 -2,-0.4 252,-0.1 -0.232 47.3 -87.9 -69.0 171.4 34.2 -18.9 -5.4 15 15 A A T 3 S+ 0 0 90 1,-0.3 251,-0.2 250,-0.1 -1,-0.1 0.751 131.3 54.5 -59.1 -21.9 36.3 -21.3 -7.5 16 16 A Q T 3 S- 0 0 159 2,-0.1 -1,-0.3 249,-0.1 -2,-0.1 0.338 122.7-106.3 -88.6 4.5 34.1 -20.5 -10.6 17 17 A G S < S+ 0 0 14 -3,-2.9 2,-0.2 1,-0.3 -2,-0.1 0.518 73.5 137.7 87.4 10.0 34.8 -16.7 -10.1 18 18 A R - 0 0 133 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.548 65.0 -89.7 -89.7 149.7 31.4 -15.7 -8.8 19 19 A L B -I 13 0B 25 -6,-0.2 2,-0.7 -2,-0.2 -6,-0.2 -0.321 35.8-148.7 -54.9 134.1 30.9 -13.3 -5.9 20 20 A D > + 0 0 40 -8,-2.2 4,-2.4 1,-0.2 5,-0.1 -0.864 17.5 179.3-111.7 95.5 30.8 -15.2 -2.5 21 21 A W H > S+ 0 0 56 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.862 78.8 55.7 -68.5 -35.5 28.5 -13.3 -0.3 22 22 A D H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 110.4 45.7 -61.5 -41.4 28.8 -15.7 2.7 23 23 A S H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 109.8 54.2 -70.9 -42.6 32.6 -15.3 2.6 24 24 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 107.0 52.8 -53.2 -45.0 32.3 -11.5 2.3 25 25 A A H X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.889 107.3 51.6 -59.6 -40.3 30.0 -11.5 5.4 26 26 A K H X S+ 0 0 101 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.912 109.9 48.9 -60.9 -43.2 32.7 -13.4 7.3 27 27 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.925 110.8 49.7 -66.0 -40.0 35.3 -10.9 6.3 28 28 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.943 111.6 49.0 -68.0 -40.6 33.2 -7.9 7.4 29 29 A D H X S+ 0 0 81 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.912 107.6 55.4 -62.1 -38.5 32.5 -9.6 10.7 30 30 A F H X S+ 0 0 39 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.922 110.1 45.6 -59.8 -42.9 36.2 -10.3 11.2 31 31 A H H X>S+ 0 0 0 -4,-2.0 5,-1.4 2,-0.2 4,-0.6 0.895 110.4 53.6 -68.1 -43.5 37.0 -6.5 10.8 32 32 A L H <5S+ 0 0 43 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.892 114.8 41.9 -52.3 -41.8 34.2 -5.5 13.1 33 33 A Q H <5S+ 0 0 144 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.789 112.0 53.1 -78.5 -29.7 35.6 -7.8 15.8 34 34 A E H <5S- 0 0 60 -4,-2.0 181,-0.2 -5,-0.2 -1,-0.2 0.325 114.1 -98.3 -99.5 6.4 39.3 -7.0 15.4 35 35 A G T <5 + 0 0 19 -4,-0.6 -30,-0.2 -3,-0.4 -3,-0.1 0.563 58.9 163.4 98.9 8.5 39.4 -3.2 15.6 36 36 A T < - 0 0 6 -5,-1.4 -1,-0.3 -6,-0.2 -30,-0.2 -0.362 28.4-151.8 -63.8 136.6 39.5 -2.2 12.0 37 37 A N - 0 0 64 -32,-2.3 2,-0.3 1,-0.3 -31,-0.2 0.699 69.1 -3.6 -87.6 -28.3 38.6 1.5 11.7 38 38 A A E -b 6 0A 0 -33,-1.2 -31,-2.2 33,-0.2 2,-0.5 -0.968 62.1-129.7-157.9 160.2 37.1 1.5 8.2 39 39 A I E -bc 7 73A 0 33,-2.3 35,-3.3 -2,-0.3 2,-0.7 -0.960 10.0-158.1-116.9 126.7 36.5 -0.9 5.2 40 40 A V E -bc 8 74A 3 -33,-3.0 -31,-2.3 -2,-0.5 3,-0.3 -0.929 21.0-168.2 -99.9 114.5 37.6 0.1 1.7 41 41 A A E + c 0 75A 2 33,-3.2 35,-2.5 -2,-0.7 -31,-0.1 -0.720 59.2 11.2-104.6 150.0 35.4 -2.1 -0.6 42 42 A V S S+ 0 0 0 -2,-0.3 -1,-0.2 -33,-0.2 2,-0.1 0.713 90.3 126.6 56.3 31.9 36.0 -2.6 -4.4 43 43 A G S > >S- 0 0 9 -34,-0.4 5,-1.6 -3,-0.3 3,-0.7 -0.189 82.5 -65.7 -92.1-159.2 39.3 -1.0 -4.7 44 44 A T G > 5S+ 0 0 17 1,-0.3 3,-1.6 2,-0.2 5,-0.1 0.896 137.3 50.0 -62.2 -42.3 42.5 -2.4 -6.2 45 45 A T G 3 5S+ 0 0 4 1,-0.3 -34,-0.5 2,-0.1 -1,-0.3 0.771 108.0 56.5 -65.8 -24.3 42.8 -5.1 -3.5 46 46 A G G < 5S- 0 0 0 -3,-0.7 -1,-0.3 -36,-0.3 -2,-0.2 0.237 119.6-110.0 -90.0 14.1 39.2 -5.9 -4.2 47 47 A E T X 5 + 0 0 7 -3,-1.6 3,-1.5 1,-0.1 4,-0.4 0.894 50.6 172.0 57.5 43.7 39.9 -6.5 -7.9 48 48 A S G > - 0 0 56 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.367 32.5 -94.5 -84.0 174.4 31.5 -5.1 -13.8 53 53 A V H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.868 125.6 50.4 -56.7 -44.0 29.3 -2.0 -12.9 54 54 A E H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.1 47.0 -63.3 -41.4 26.5 -4.2 -11.6 55 55 A E H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 106.9 58.8 -68.7 -33.1 28.9 -6.1 -9.3 56 56 A H H X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.937 110.9 40.2 -62.8 -42.5 30.6 -3.0 -8.1 57 57 A I H X S+ 0 0 30 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.910 111.7 57.3 -78.4 -35.3 27.4 -1.6 -6.7 58 58 A Q H X S+ 0 0 85 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 108.7 46.4 -57.9 -45.3 26.2 -5.0 -5.4 59 59 A V H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.936 111.2 51.0 -64.3 -44.5 29.4 -5.3 -3.3 60 60 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.942 112.6 45.8 -58.7 -49.4 29.1 -1.8 -1.9 61 61 A R H X S+ 0 0 107 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.897 111.4 52.0 -63.4 -39.5 25.5 -2.3 -0.9 62 62 A R H X S+ 0 0 104 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.907 114.8 42.3 -65.0 -37.3 26.2 -5.7 0.7 63 63 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.960 115.8 48.4 -72.9 -51.1 29.0 -4.3 2.8 64 64 A V H X S+ 0 0 26 -4,-2.8 4,-2.0 1,-0.2 5,-0.5 0.924 112.2 50.0 -52.0 -48.3 27.1 -1.1 3.7 65 65 A D H < S+ 0 0 109 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.867 113.7 44.6 -65.9 -36.2 24.0 -3.1 4.7 66 66 A Q H < S+ 0 0 27 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.923 110.7 52.3 -72.8 -37.7 26.0 -5.4 6.9 67 67 A V H >< S- 0 0 1 -4,-2.6 3,-2.0 -5,-0.2 -2,-0.2 0.847 84.0-164.1 -70.1 -32.7 28.1 -2.8 8.6 68 68 A K T 3< - 0 0 147 -4,-2.0 -3,-0.1 1,-0.3 -1,-0.1 0.863 67.5 -56.3 51.0 42.8 24.9 -0.8 9.5 69 69 A G T 3 S+ 0 0 65 -5,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.456 103.4 124.7 74.8 8.4 26.9 2.3 10.2 70 70 A R S < S+ 0 0 132 -3,-2.0 -2,-0.1 1,-0.1 -1,-0.1 0.863 84.4 2.3 -71.1 -34.3 29.3 0.9 12.8 71 71 A I S S- 0 0 26 -4,-0.1 -2,-0.2 -32,-0.0 -33,-0.2 -0.941 96.4 -80.9-143.4 160.1 32.4 1.9 10.9 72 72 A P - 0 0 19 0, 0.0 -33,-2.3 0, 0.0 2,-0.5 -0.375 33.1-150.8 -68.6 144.1 32.9 3.8 7.7 73 73 A V E -c 39 0A 2 -35,-0.2 25,-2.7 23,-0.2 26,-1.2 -0.975 13.1-168.2-110.2 119.3 32.5 2.1 4.4 74 74 A I E -cd 40 99A 0 -35,-3.3 -33,-3.2 -2,-0.5 2,-0.5 -0.909 8.1-148.0-112.0 135.7 34.6 3.6 1.6 75 75 A A E -cd 41 100A 0 24,-2.5 26,-2.6 -2,-0.4 2,-0.5 -0.890 14.1-127.4-107.3 133.7 34.1 2.6 -2.0 76 76 A G E + d 0 101A 9 -35,-2.5 26,-0.2 -2,-0.5 24,-0.0 -0.632 42.5 154.3 -72.8 126.4 36.7 2.4 -4.7 77 77 A T + 0 0 0 24,-2.4 12,-0.3 -2,-0.5 25,-0.2 0.266 20.6 128.2-145.3 17.2 35.3 4.5 -7.6 78 78 A G + 0 0 18 23,-1.0 2,-0.3 10,-0.1 26,-0.1 -0.326 25.4 167.0 -73.6 154.0 38.3 5.7 -9.6 79 79 A A - 0 0 0 24,-0.4 6,-0.1 -2,-0.1 -2,-0.0 -0.975 46.2-116.3-152.2 169.6 38.6 5.2 -13.3 80 80 A N S S+ 0 0 5 -2,-0.3 2,-0.4 25,-0.1 3,-0.1 0.470 100.2 70.1 -96.1 1.9 40.7 6.6 -16.1 81 81 A S S > S- 0 0 6 1,-0.1 4,-2.2 479,-0.1 5,-0.2 -0.973 75.2-146.1-108.2 129.5 37.7 8.2 -17.8 82 82 A T H > S+ 0 0 5 477,-1.4 4,-2.4 -2,-0.4 5,-0.2 0.926 101.2 52.1 -59.1 -40.3 36.2 11.1 -16.0 83 83 A R H > S+ 0 0 116 476,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.926 110.8 46.4 -60.8 -44.6 32.8 10.2 -17.1 84 84 A E H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.896 109.5 54.8 -65.8 -44.1 33.1 6.6 -15.8 85 85 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.920 107.2 50.9 -58.1 -41.4 34.5 7.8 -12.5 86 86 A V H X S+ 0 0 31 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.941 110.8 48.7 -59.3 -47.3 31.5 10.0 -12.0 87 87 A A H X S+ 0 0 64 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 112.9 46.5 -61.4 -42.4 29.2 7.1 -12.7 88 88 A L H X S+ 0 0 21 -4,-2.9 4,-2.0 -11,-0.2 -1,-0.2 0.889 114.1 49.1 -65.9 -34.7 31.1 4.8 -10.2 89 89 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 -12,-0.3 -2,-0.2 0.908 110.1 49.7 -76.6 -37.5 31.1 7.6 -7.6 90 90 A E H X S+ 0 0 84 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.888 110.1 52.6 -67.7 -34.6 27.4 8.2 -8.0 91 91 A A H X S+ 0 0 21 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.926 107.2 51.4 -65.8 -41.6 26.8 4.5 -7.7 92 92 A A H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 4,-0.5 0.910 110.0 49.6 -61.5 -41.5 28.7 4.4 -4.5 93 93 A K H ><5S+ 0 0 93 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.932 111.3 47.8 -64.3 -46.2 26.7 7.2 -3.1 94 94 A S H 3<5S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.6 57.6 -59.6 -34.6 23.4 5.5 -4.1 95 95 A G T 3<5S- 0 0 4 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.521 121.7-105.5 -76.0 -10.9 24.8 2.3 -2.5 96 96 A G T < 5 + 0 0 33 -3,-1.4 -3,-0.2 -4,-0.5 -23,-0.2 0.512 60.1 161.5 101.0 4.9 25.2 4.0 0.9 97 97 A A < - 0 0 10 -5,-2.2 -1,-0.2 -6,-0.2 -23,-0.2 -0.251 36.9-144.5 -57.2 144.9 29.0 4.4 1.0 98 98 A D S S- 0 0 75 -25,-2.7 2,-0.3 1,-0.2 -24,-0.2 0.749 78.5 -9.1 -80.8 -26.1 30.4 7.0 3.5 99 99 A A E -d 74 0A 0 -26,-1.2 -24,-2.5 29,-0.1 2,-0.4 -0.974 65.5-125.7-161.4 170.2 33.2 8.1 1.1 100 100 A C E -de 75 130A 0 29,-2.1 31,-2.5 -2,-0.3 2,-0.5 -0.951 8.3-147.3-127.3 147.6 34.9 7.1 -2.1 101 101 A L E -de 76 131A 8 -26,-2.6 -24,-2.4 -2,-0.4 -23,-1.0 -0.968 18.5-166.6-115.5 128.6 38.6 6.4 -2.9 102 102 A L E - e 0 132A 0 29,-3.1 31,-1.3 -2,-0.5 -26,-0.1 -0.916 10.4-144.2-126.3 107.2 39.6 7.5 -6.5 103 103 A V E - e 0 133A 8 -2,-0.6 -24,-0.4 29,-0.2 31,-0.2 -0.319 33.1-100.2 -62.0 146.8 42.8 6.4 -8.1 104 104 A T - 0 0 0 29,-2.3 -1,-0.1 1,-0.1 37,-0.1 -0.393 60.8 -79.0 -57.5 145.7 44.6 8.8 -10.4 105 105 A P - 0 0 0 0, 0.0 4,-0.3 0, 0.0 2,-0.2 -0.271 53.8-149.0 -55.2 124.4 43.8 7.9 -14.0 106 106 A Y + 0 0 24 1,-0.1 2,-2.1 2,-0.1 34,-0.2 -0.538 64.9 9.5 -87.9 158.9 46.0 4.9 -15.1 107 107 A Y S S+ 0 0 10 32,-1.4 -1,-0.1 322,-0.6 324,-0.1 -0.160 113.2 68.6 75.4 -50.1 47.3 4.2 -18.6 108 108 A N S S- 0 0 11 -2,-2.1 -1,-0.2 230,-0.0 -2,-0.1 0.531 88.2-141.5 -89.9 -0.9 46.4 7.4 -20.3 109 109 A K - 0 0 64 30,-0.4 429,-0.3 -4,-0.3 -3,-0.1 0.894 18.5-157.2 54.4 55.9 48.9 9.6 -18.4 110 110 A P - 0 0 7 0, 0.0 451,-0.1 0, 0.0 -1,-0.1 -0.222 19.4-109.1 -58.0 151.0 47.0 12.8 -17.9 111 111 A T > - 0 0 22 449,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.278 36.0 -99.5 -68.2 173.3 48.9 16.0 -17.3 112 112 A Q H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 127.9 51.3 -63.5 -38.2 48.9 17.6 -13.8 113 113 A E H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.894 107.5 51.9 -63.5 -38.9 46.2 20.0 -15.1 114 114 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.907 107.9 52.0 -66.1 -37.7 44.2 17.1 -16.4 115 115 A M H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.934 110.7 48.8 -58.5 -47.2 44.4 15.4 -13.0 116 116 A Y H X S+ 0 0 45 -4,-2.3 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110.7 49.0 -61.1 -45.5 23.4 -4.7 33.3 1129 256 D L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.7 0.865 111.2 49.2 -67.7 -36.5 26.4 -2.9 31.7 1130 257 D H H ><5S+ 0 0 67 -4,-1.9 3,-1.5 4,-0.2 -1,-0.2 0.902 108.8 53.2 -66.9 -41.3 28.6 -5.9 32.1 1131 258 D E H 3<5S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.837 107.9 52.0 -62.0 -30.0 25.9 -8.1 30.5 1132 259 D M T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.466 118.6-116.3 -80.3 -8.6 25.9 -5.6 27.6 1133 260 D G T < 5S+ 0 0 49 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.573 84.4 115.0 81.6 15.9 29.7 -6.0 27.3 1134 261 D L S - 0 0 32 -2,-0.3 3,-2.1 4,-0.1 -217,-0.1 -0.754 43.2 -72.2 -96.9 137.3 34.2 -1.9 45.6 1141 268 D L T 3 S+ 0 0 53 -2,-0.5 -477,-1.4 1,-0.3 -476,-0.4 -0.264 115.8 40.7 -53.1 137.9 33.2 -3.0 49.1 1142 269 D P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -449,-0.3 -0.980 112.2 73.1 -86.1 5.5 30.8 -2.4 50.8 1143 270 D L < - 0 0 6 -3,-2.1 2,-0.3 -451,-0.1 -4,-0.1 -0.460 69.3-159.3 -79.7 154.7 29.0 -2.9 47.5 1144 271 D T - 0 0 20 -2,-0.1 3,-0.1 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