==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-10 3MEN . COMPND 2 MOLECULE: ACETYLPOLYAMINE AMINOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1357 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 951 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 171 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 3.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 1 0.1 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 . 106 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 0 2 2 4 4 0 1 9 1 0 5 0 0 4 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 5 3 4 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 PARALLEL BRIDGES PER LADDER . 15 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 0 A S 0 0 129 0, 0.0 2,-0.3 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 137.8 28.6 17.4 60.3 2 1 A M - 0 0 20 144,-0.1 146,-0.2 143,-0.0 2,-0.1 -0.979 360.0 -85.5-146.0 156.7 26.3 15.2 58.3 3 2 A L E -a 148 0A 37 144,-0.5 146,-2.8 -2,-0.3 2,-0.4 -0.379 39.3-162.0 -56.9 133.9 23.9 12.5 59.0 4 3 A T E -ab 149 48A 0 43,-2.4 45,-2.9 144,-0.2 2,-0.5 -0.995 4.8-156.1-119.1 124.2 25.5 9.0 59.4 5 4 A Y E +ab 150 49A 30 144,-2.4 146,-2.4 -2,-0.4 2,-0.3 -0.886 24.2 151.5-106.8 132.5 23.2 6.0 59.1 6 5 A F - 0 0 27 43,-1.8 146,-0.1 -2,-0.5 124,-0.1 -0.958 27.3-150.9-154.9 135.3 24.0 2.5 60.6 7 6 A H > - 0 0 18 -2,-0.3 3,-2.2 144,-0.2 4,-0.3 -0.939 18.8-134.5-112.2 132.0 21.6 -0.3 61.8 8 7 A P G > S+ 0 0 64 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.798 101.6 70.9 -60.0 -24.0 22.8 -2.6 64.6 9 8 A D G > S+ 0 0 29 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.756 82.8 74.5 -60.8 -22.5 21.6 -5.6 62.7 10 9 A Q G X S+ 0 0 0 -3,-2.2 3,-0.7 1,-0.3 -1,-0.3 0.780 88.1 59.8 -59.3 -29.2 24.5 -5.0 60.2 11 10 A S G < S+ 0 0 52 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.617 87.0 77.3 -72.2 -13.0 26.9 -6.3 62.9 12 11 A L G < S+ 0 0 67 -3,-1.6 2,-0.4 -4,-0.3 110,-0.2 0.750 72.1 89.5 -73.6 -24.2 25.1 -9.8 62.9 13 12 A H < + 0 0 1 -3,-0.7 106,-0.0 -4,-0.4 110,-0.0 -0.634 43.3 140.0 -77.6 121.6 26.7 -10.9 59.7 14 13 A H - 0 0 113 -2,-0.4 -1,-0.1 16,-0.1 16,-0.1 -0.316 23.4-179.3-157.3 66.5 30.0 -12.8 60.4 15 14 A P - 0 0 5 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.315 18.4-153.2 -77.6 164.3 30.6 -15.8 58.3 16 15 A R + 0 0 63 1,-0.1 2,-0.6 10,-0.1 9,-0.0 0.569 64.7 83.3-107.5 -12.3 33.8 -18.0 58.7 17 16 A T + 0 0 29 9,-0.1 2,-0.4 7,-0.1 9,-0.1 -0.854 42.1 157.6-117.9 115.1 34.3 -19.6 55.3 18 17 A Y E -H 25 0B 6 7,-0.6 7,-2.8 -2,-0.6 2,-0.6 -0.994 21.8-157.6-137.5 125.2 36.0 -17.9 52.3 19 18 A F E +H 24 0B 0 96,-2.4 2,-0.3 -2,-0.4 96,-0.3 -0.922 27.5 152.7-106.2 122.9 37.6 -19.7 49.4 20 19 A S E > -H 23 0B 14 3,-2.7 3,-1.7 -2,-0.6 411,-0.1 -0.965 56.5 -10.5-152.5 133.4 40.3 -17.7 47.4 21 20 A R T 3 S- 0 0 85 -2,-0.3 -1,-0.1 1,-0.3 410,-0.1 0.922 128.4 -41.1 50.1 57.6 43.4 -18.3 45.3 22 21 A G T 3 S+ 0 0 12 408,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.162 124.1 64.3 82.9 -15.4 43.7 -22.0 46.0 23 22 A R E < S-H 20 0B 34 -3,-1.7 -3,-2.7 403,-0.1 2,-0.2 -0.943 80.9-101.6-140.8 159.4 42.9 -22.1 49.8 24 23 A M E -H 19 0B 69 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.516 50.7-157.5 -70.7 144.1 40.3 -21.4 52.5 25 24 A R E -H 18 0B 50 -7,-2.8 -7,-0.6 -2,-0.2 3,-0.1 -0.885 20.8 -94.4-134.3 159.4 41.0 -18.1 54.1 26 25 A M - 0 0 73 -2,-0.3 -9,-0.1 -9,-0.1 -10,-0.1 -0.517 50.9-107.0 -62.5 130.0 40.5 -16.0 57.2 27 26 A P + 0 0 40 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.349 36.6 177.2 -54.0 139.8 37.5 -13.6 57.0 28 27 A Q + 0 0 72 1,-0.1 2,-1.5 -3,-0.1 5,-0.1 0.567 65.1 76.0-115.4 -27.9 38.6 -9.9 56.6 29 28 A E S S+ 0 0 0 3,-0.1 -1,-0.1 4,-0.0 292,-0.1 -0.618 72.9 159.6 -91.1 79.7 35.1 -8.3 56.3 30 29 A V > - 0 0 28 -2,-1.5 3,-1.7 -3,-0.1 4,-0.5 -0.664 56.7-109.1-114.1 155.4 34.3 -8.4 60.0 31 30 A P T >> S+ 0 0 27 0, 0.0 4,-1.3 0, 0.0 3,-1.1 0.796 111.1 71.6 -51.6 -31.6 31.9 -6.6 62.3 32 31 A E H 3> S+ 0 0 86 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.833 84.9 68.3 -58.3 -32.4 34.8 -4.8 64.0 33 32 A R H <> S+ 0 0 1 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.923 101.9 45.9 -49.1 -47.3 35.2 -2.7 60.8 34 33 A A H <> S+ 0 0 1 -3,-1.1 4,-3.0 -4,-0.5 -1,-0.2 0.874 107.4 57.7 -70.4 -34.2 31.9 -1.0 61.6 35 34 A A H X S+ 0 0 47 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.905 108.6 45.9 -59.5 -42.8 32.8 -0.5 65.3 36 35 A R H X S+ 0 0 61 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.925 113.3 49.1 -69.6 -39.3 35.9 1.5 64.3 37 36 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.930 109.3 51.3 -68.0 -42.7 34.0 3.5 61.7 38 37 A V H X S+ 0 0 23 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.925 107.8 54.6 -56.7 -44.7 31.2 4.3 64.2 39 38 A A H X S+ 0 0 48 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.871 107.3 50.2 -54.2 -40.4 33.9 5.5 66.6 40 39 A A H X S+ 0 0 1 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.930 109.0 50.7 -66.5 -44.8 35.3 7.9 64.0 41 40 A A H ><>S+ 0 0 1 -4,-2.3 5,-2.0 1,-0.2 3,-0.6 0.914 110.5 50.8 -55.1 -46.3 31.8 9.3 63.3 42 41 A F H ><5S+ 0 0 131 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.941 106.6 53.2 -59.2 -47.1 31.4 9.9 67.1 43 42 A A H 3<5S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.687 109.7 49.7 -64.3 -18.6 34.8 11.7 67.4 44 43 A M T <<5S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.442 116.0-113.4 -98.1 -2.6 33.7 14.1 64.6 45 44 A G T < 5 + 0 0 51 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.567 60.3 155.8 84.0 11.4 30.4 14.9 66.2 46 45 A F < - 0 0 15 -5,-2.0 2,-0.5 -6,-0.2 -1,-0.3 -0.483 47.5-119.0 -70.4 135.2 28.3 13.3 63.4 47 46 A P - 0 0 50 0, 0.0 -43,-2.4 0, 0.0 2,-0.6 -0.694 25.8-152.8 -74.4 124.8 24.8 12.1 64.5 48 47 A V E +b 4 0A 40 -2,-0.5 2,-0.4 -45,-0.2 -43,-0.2 -0.893 23.1 175.0-101.8 116.9 24.6 8.3 64.0 49 48 A R E -b 5 0A 138 -45,-2.9 -43,-1.8 -2,-0.6 0, 0.0 -0.933 35.7-110.0-126.3 148.4 21.1 7.2 63.4 50 49 A E - 0 0 120 -2,-0.4 -43,-0.2 -45,-0.2 2,-0.1 -0.594 42.1-119.5 -66.4 129.9 19.2 4.1 62.6 51 50 A P - 0 0 7 0, 0.0 82,-0.1 0, 0.0 81,-0.1 -0.407 24.6-113.9 -68.2 145.8 17.8 4.2 59.0 52 51 A D - 0 0 125 80,-0.2 2,-0.9 1,-0.1 84,-0.2 -0.261 38.6 -97.1 -62.7 165.3 14.0 4.0 58.5 53 52 A D + 0 0 93 1,-0.1 3,-0.1 82,-0.1 -1,-0.1 -0.842 39.3 178.8 -88.7 104.4 12.7 0.8 56.7 54 53 A F - 0 0 75 -2,-0.9 3,-0.2 1,-0.2 -1,-0.1 0.478 39.4-132.6 -84.6 -0.4 12.3 1.8 53.0 55 54 A G - 0 0 24 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 -0.218 30.8 -63.2 80.1-172.0 11.2 -1.8 52.1 56 55 A I S >> S+ 0 0 75 1,-0.2 4,-2.6 2,-0.1 3,-1.4 0.775 110.1 81.6 -87.6 -28.7 12.2 -4.0 49.3 57 56 A A H 3> S+ 0 0 69 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.810 91.0 49.6 -53.3 -43.0 11.0 -2.1 46.3 58 57 A P H 34 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.774 113.5 48.1 -70.9 -20.8 14.0 0.3 46.1 59 58 A I H X> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.3 3,-1.6 0.901 111.2 50.4 -76.4 -45.1 16.3 -2.7 46.3 60 59 A A H 3< S+ 0 0 35 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.2 0.702 94.4 73.7 -62.5 -21.9 14.2 -4.5 43.6 61 60 A A T 3< S+ 0 0 59 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.803 115.4 21.0 -64.3 -23.2 14.6 -1.3 41.5 62 61 A V T <4 S+ 0 0 14 -3,-1.6 2,-0.3 -4,-0.3 -2,-0.2 0.766 119.7 60.2-108.7 -43.7 18.3 -2.4 40.9 63 62 A H S < S- 0 0 4 -4,-2.7 99,-0.2 1,-0.1 2,-0.1 -0.650 85.5-105.3-100.5 148.4 18.3 -6.2 41.6 64 63 A D >> - 0 0 61 97,-2.0 4,-1.9 -2,-0.3 3,-0.6 -0.440 27.2-134.2 -68.3 134.0 16.5 -9.1 40.0 65 64 A T H 3> S+ 0 0 89 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.781 104.0 60.2 -68.9 -26.9 13.7 -10.3 42.3 66 65 A H H 3> S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.856 106.7 49.1 -68.1 -30.7 14.6 -14.0 41.8 67 66 A Y H <> S+ 0 0 0 -3,-0.6 4,-3.4 2,-0.2 -2,-0.2 0.929 110.0 49.8 -69.0 -44.9 18.1 -13.1 43.2 68 67 A L H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 111.4 48.9 -66.4 -37.6 16.5 -11.3 46.2 69 68 A R H X S+ 0 0 46 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.947 112.0 50.0 -61.3 -50.0 14.2 -14.3 46.9 70 69 A F H >X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 3,-0.6 0.979 111.5 48.2 -51.2 -53.6 17.3 -16.6 46.6 71 70 A L H 3< S+ 0 0 1 -4,-3.4 4,-0.4 1,-0.3 53,-0.3 0.872 111.2 50.5 -58.0 -37.8 19.2 -14.4 49.1 72 71 A E H 3< S+ 0 0 120 -4,-2.1 -1,-0.3 -5,-0.2 4,-0.2 0.837 123.3 27.2 -72.1 -33.5 16.4 -14.2 51.5 73 72 A T H S+ 0 0 25 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.935 112.6 47.5 -60.5 -43.4 20.3 -20.1 54.4 76 75 A R H > S+ 0 0 157 -4,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.881 114.8 46.4 -60.0 -40.8 17.0 -21.9 55.3 77 76 A E H < S+ 0 0 80 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.889 112.5 49.7 -74.1 -34.7 17.3 -24.0 52.2 78 77 A W H >< S+ 0 0 1 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.836 105.2 58.1 -68.2 -34.5 20.9 -24.8 52.8 79 78 A K H 3< S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 98.9 59.8 -67.2 -28.6 20.1 -25.8 56.4 80 79 A A T 3< S+ 0 0 77 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.584 92.8 82.7 -77.1 -11.5 17.6 -28.5 55.1 81 80 A M S < S- 0 0 40 -3,-1.0 5,-0.1 -4,-0.3 480,-0.0 -0.402 104.8 -56.8 -80.2 169.7 20.5 -30.2 53.2 82 81 A P > - 0 0 80 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.064 45.9-118.4 -49.4 147.2 22.8 -32.7 55.1 83 82 A E G > S+ 0 0 104 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.812 113.6 71.2 -52.8 -34.7 24.7 -31.4 58.2 84 83 A D G 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.644 82.0 66.9 -54.6 -24.9 27.8 -32.2 56.2 85 84 A W G < S- 0 0 13 -3,-2.2 3,-0.3 1,-0.2 -1,-0.3 0.580 104.1-138.6 -73.9 -8.5 27.1 -29.2 53.8 86 85 A G < - 0 0 36 -3,-1.9 -1,-0.2 -4,-0.2 -5,-0.1 -0.179 24.8 -66.6 77.6-173.8 27.9 -27.0 56.8 87 86 A D S S+ 0 0 91 275,-0.1 2,-0.5 -3,-0.1 -1,-0.2 0.560 106.4 69.8 -94.4 -10.4 26.2 -23.8 58.0 88 87 A E S S- 0 0 30 -3,-0.3 2,-0.3 274,-0.1 32,-0.2 -0.944 75.4-129.2-121.4 125.0 27.0 -21.4 55.1 89 88 A A B +I 119 0C 0 30,-2.3 30,-2.3 -2,-0.5 2,-0.3 -0.609 40.6 159.3 -70.1 132.9 25.7 -21.4 51.6 90 89 A M - 0 0 8 -2,-0.3 2,-0.4 28,-0.2 18,-0.1 -0.950 37.6-114.3-149.3 155.9 28.5 -21.3 49.0 91 90 A S + 0 0 4 23,-0.3 3,-0.1 -2,-0.3 26,-0.1 -0.814 29.7 167.6 -97.8 132.6 28.8 -22.2 45.3 92 91 A N + 0 0 7 -2,-0.4 363,-1.9 13,-0.2 2,-0.4 0.111 67.8 73.0-118.4 14.2 31.0 -25.0 44.2 93 92 A I B -J 454 0D 4 361,-0.2 2,-1.1 12,-0.2 361,-0.2 -0.972 67.9-158.8-134.1 118.6 29.5 -25.2 40.6 94 93 A F + 0 0 15 359,-2.3 2,-0.4 -2,-0.4 360,-0.1 -0.421 45.4 120.2-110.0 56.5 30.6 -22.3 38.6 95 94 A V + 0 0 12 -2,-1.1 340,-0.1 1,-0.1 -2,-0.1 -0.967 30.4 174.0-131.1 113.3 27.9 -22.1 35.9 96 95 A R + 0 0 57 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.855 68.5 55.8 -76.6 -42.2 25.5 -19.3 35.1 97 96 A E S S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.0 2,-0.1 -0.974 93.5 29.1-161.6 150.7 24.1 -21.0 32.0 98 97 A P S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.631 88.3 148.2 -64.0 145.9 22.9 -23.3 30.8 99 98 A N - 0 0 20 -2,-0.1 468,-0.2 -3,-0.1 467,-0.1 -0.884 43.1-155.8-159.1 117.1 21.3 -23.7 34.3 100 99 A A - 0 0 37 466,-1.5 3,-0.1 -2,-0.3 466,-0.1 0.667 27.4-142.1 -70.3 -15.9 17.9 -25.2 35.3 101 100 A L + 0 0 56 1,-0.2 2,-0.6 5,-0.2 465,-0.1 0.840 50.0 145.2 50.8 34.8 17.8 -23.3 38.6 102 101 A R + 0 0 109 463,-0.3 459,-0.6 457,-0.0 4,-0.3 -0.906 55.7 2.9-103.9 112.5 16.2 -26.4 40.2 103 102 A G S > S- 0 0 26 -2,-0.6 4,-2.0 457,-0.2 3,-0.2 0.018 91.5 -80.0 94.2 159.4 17.3 -26.8 43.9 104 103 A V H > S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.813 125.6 57.1 -66.1 -33.8 19.5 -24.6 46.1 105 104 A L H > S+ 0 0 5 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.921 109.9 43.6 -63.2 -46.6 22.7 -26.0 44.7 106 105 A A H > S+ 0 0 0 -4,-0.3 4,-1.0 459,-0.2 -2,-0.2 0.859 113.7 52.9 -64.3 -36.2 21.8 -24.9 41.1 107 106 A Q H >X S+ 0 0 59 -4,-2.0 4,-2.6 1,-0.2 3,-0.7 0.936 107.4 50.0 -68.3 -43.2 20.5 -21.5 42.6 108 107 A A H 3X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.843 104.5 61.6 -57.7 -33.6 23.9 -20.9 44.4 109 108 A A H 3< S+ 0 0 7 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.834 114.6 31.9 -65.5 -33.1 25.6 -21.7 41.0 110 109 A R H << S+ 0 0 70 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.862 125.1 41.4 -83.5 -45.0 23.8 -18.8 39.4 111 110 A H H < S+ 0 0 5 -4,-2.6 53,-2.6 1,-0.1 2,-0.5 0.412 103.1 63.1 -99.7 -4.3 23.6 -16.3 42.3 112 111 A L B < -k 164 0E 1 -4,-1.8 53,-0.2 51,-0.2 -1,-0.1 -0.946 61.4-174.5-122.9 109.9 27.0 -16.6 44.1 113 112 A A + 0 0 10 51,-2.0 321,-2.7 -2,-0.5 2,-0.3 0.454 60.2 9.6 -96.6 -5.4 29.7 -15.4 41.7 114 113 A D B > S-L 433 0F 3 319,-0.3 3,-0.6 320,-0.1 -23,-0.3 -0.912 83.4 -93.4-156.8-179.6 33.0 -16.1 43.6 115 114 A G T 3 S+ 0 0 5 317,-1.8 -96,-2.4 -96,-0.3 318,-0.1 0.257 108.5 76.7 -88.2 16.1 34.1 -17.9 46.8 116 115 A S T 3 S+ 0 0 11 -98,-0.2 51,-2.4 316,-0.2 -1,-0.2 -0.058 76.4 72.4-114.5 26.2 33.9 -14.6 48.8 117 116 A C < + 0 0 2 -3,-0.6 -1,-0.2 49,-0.2 47,-0.1 -0.270 58.1 170.2-139.3 51.4 30.1 -14.4 49.3 118 117 A P - 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