==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAY-04 1WE2 . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.H.PEREIRA,J.S.DE OLIVEIRA,F.CANDURI,M.V.DIAS,M.S.PALMA, . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 79.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 2 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 62 0, 0.0 68,-0.1 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 134.2 26.6 26.9 9.9 2 3 A P - 0 0 9 0, 0.0 93,-0.4 0, 0.0 72,-0.2 -0.161 360.0-129.7 -62.0 148.0 29.6 27.5 12.2 3 4 A K S S- 0 0 92 70,-2.7 2,-0.3 69,-0.4 71,-0.2 0.899 97.3 -6.7 -59.8 -40.3 32.9 25.7 11.9 4 5 A A E -a 74 0A 0 69,-1.0 71,-2.5 161,-0.1 2,-0.5 -0.973 62.0-146.2-158.4 140.3 32.5 25.1 15.7 5 6 A V E -ab 75 96A 0 90,-2.8 92,-3.4 -2,-0.3 2,-0.5 -0.977 23.5-147.9-108.0 118.2 30.0 26.2 18.4 6 7 A L E +ab 76 97A 0 69,-3.6 71,-2.6 -2,-0.5 2,-0.3 -0.794 20.9 172.5 -97.0 126.9 31.7 26.6 21.8 7 8 A V E + b 0 98A 3 90,-2.8 92,-2.9 -2,-0.5 2,-0.3 -0.930 17.3 110.5-128.3 151.0 29.8 25.9 25.0 8 9 A G - 0 0 0 -2,-0.3 92,-0.1 69,-0.3 3,-0.1 -0.899 62.6 -66.1 162.5 169.4 30.9 25.7 28.6 9 10 A L S > S- 0 0 2 90,-0.4 3,-2.7 -2,-0.3 5,-0.3 -0.265 73.2 -70.1 -72.6 164.1 30.6 27.4 31.9 10 11 A P T 3 S+ 0 0 20 0, 0.0 100,-0.2 0, 0.0 -1,-0.2 -0.242 126.3 24.7 -53.4 144.7 32.2 30.8 32.5 11 12 A G T 3 S+ 0 0 6 98,-0.1 98,-0.1 -3,-0.1 -2,-0.1 0.363 86.3 112.2 80.2 -9.2 35.9 30.5 32.5 12 13 A S S < S- 0 0 1 -3,-2.7 -1,-0.1 89,-0.1 -5,-0.1 0.784 95.0-102.4 -67.9 -21.8 35.9 27.3 30.4 13 14 A G S >>S+ 0 0 13 -4,-0.3 4,-3.3 -5,-0.1 5,-0.7 0.463 75.0 138.8 116.7 5.4 37.5 29.3 27.5 14 15 A K H >5S+ 0 0 16 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.925 81.4 38.3 -43.7 -62.7 34.7 30.1 25.1 15 16 A S H >5S+ 0 0 60 3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 124.6 41.6 -58.5 -39.7 35.8 33.6 24.4 16 17 A T H >5S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.959 119.7 39.8 -72.8 -57.2 39.5 32.8 24.5 17 18 A I H X5S+ 0 0 5 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.853 116.0 56.5 -62.0 -34.5 39.4 29.5 22.6 18 19 A G H XS+ 0 0 4 -4,-3.0 5,-2.0 -5,-0.2 4,-0.8 0.963 112.5 46.1 -65.0 -49.9 38.6 31.7 14.8 23 24 A K H ><5S+ 0 0 137 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.885 112.9 49.6 -56.6 -49.3 42.1 33.2 14.1 24 25 A A H 3<5S+ 0 0 55 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.927 113.3 45.6 -59.3 -47.2 43.6 29.8 13.4 25 26 A L H 3<5S- 0 0 62 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.575 110.5-123.8 -74.2 -5.6 40.8 28.9 11.1 26 27 A G T <<5S+ 0 0 69 -4,-0.8 -3,-0.2 -3,-0.6 2,-0.1 0.586 75.5 117.7 72.1 9.6 41.1 32.2 9.4 27 28 A V < - 0 0 38 -5,-2.0 -1,-0.3 -6,-0.3 2,-0.2 -0.441 68.1 -96.8-102.0 178.9 37.4 32.7 10.3 28 29 A G - 0 0 41 -2,-0.1 46,-2.7 -3,-0.1 2,-0.4 -0.574 27.3-128.9 -95.7 159.4 35.6 35.2 12.4 29 30 A L E -c 74 0A 63 44,-0.2 2,-0.4 -2,-0.2 46,-0.2 -0.835 17.7-168.3-104.9 140.9 34.4 34.8 16.0 30 31 A L E -c 75 0A 40 44,-2.0 46,-2.7 -2,-0.4 2,-0.5 -0.976 2.3-166.7-132.1 119.0 30.8 35.5 17.0 31 32 A D E > -c 76 0A 22 -2,-0.4 4,-2.7 44,-0.2 5,-0.2 -0.940 15.9-146.7-102.3 120.9 30.0 35.7 20.7 32 33 A T H > S+ 0 0 0 44,-2.5 4,-1.7 -2,-0.5 45,-0.1 0.841 97.9 59.4 -60.7 -28.9 26.3 35.6 21.2 33 34 A D H > S+ 0 0 47 43,-0.4 4,-2.7 2,-0.2 5,-0.3 0.975 111.8 39.4 -63.0 -47.0 26.6 37.8 24.3 34 35 A V H > S+ 0 0 58 1,-0.3 4,-2.9 2,-0.2 5,-0.4 0.897 112.3 55.7 -64.8 -44.5 28.2 40.6 22.1 35 36 A A H X S+ 0 0 13 -4,-2.7 4,-1.3 1,-0.2 -1,-0.3 0.838 111.7 48.8 -56.6 -30.6 25.8 39.8 19.3 36 37 A I H X S+ 0 0 0 -4,-1.7 4,-0.7 -5,-0.2 6,-0.3 0.957 114.5 37.5 -76.9 -56.3 23.2 40.5 22.0 37 38 A E H >X S+ 0 0 63 -4,-2.7 4,-1.7 2,-0.2 3,-0.5 0.889 117.0 53.1 -67.6 -34.2 24.2 43.7 23.5 38 39 A Q H >< S+ 0 0 145 -4,-2.9 3,-1.8 -5,-0.3 -3,-0.2 0.998 108.8 48.3 -59.3 -59.9 25.4 45.1 20.2 39 40 A R H 3< S+ 0 0 129 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.649 125.5 33.4 -51.6 -16.2 22.0 44.4 18.6 40 41 A T H << S- 0 0 40 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.388 88.4-141.1-120.3 -5.9 20.5 46.1 21.7 41 42 A G S << S+ 0 0 76 -3,-1.8 2,-0.6 -4,-1.7 -3,-0.2 0.389 78.1 101.4 57.8 -11.2 23.0 48.8 22.6 42 43 A R S S- 0 0 92 -5,-0.3 -1,-0.1 -6,-0.3 -2,-0.1 -0.915 80.8-111.0-113.0 120.7 22.1 47.7 26.2 43 44 A S > - 0 0 39 -2,-0.6 4,-2.9 3,-0.1 5,-0.2 -0.082 20.1-116.5 -47.2 144.1 24.4 45.4 28.1 44 45 A I H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.886 115.5 42.5 -40.0 -66.3 23.7 41.7 28.9 45 46 A A H > S+ 0 0 30 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.914 116.7 45.5 -50.9 -54.3 23.8 42.4 32.7 46 47 A D H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.796 109.2 59.4 -64.9 -25.3 21.8 45.6 32.5 47 48 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 -3,-0.3 5,-0.5 0.899 108.8 42.7 -65.0 -49.7 19.4 43.8 30.1 48 49 A F H X S+ 0 0 32 -4,-2.0 4,-3.4 3,-0.2 -2,-0.2 0.959 108.5 61.3 -60.3 -52.3 18.7 41.3 32.8 49 50 A A H < S+ 0 0 81 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.859 117.1 29.3 -39.7 -52.3 18.5 44.2 35.2 50 51 A T H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.734 141.4 12.8 -85.6 -28.1 15.5 45.6 33.3 51 52 A D H X S- 0 0 53 -4,-2.8 4,-0.8 -5,-0.2 -3,-0.2 0.487 93.9-139.8-131.0 -6.2 13.9 42.6 31.8 52 53 A G H >X - 0 0 13 -4,-3.4 3,-2.9 -5,-0.5 4,-1.8 0.529 40.0 -57.8 61.0 155.3 15.3 39.5 33.5 53 54 A E H 3> S+ 0 0 68 1,-0.3 4,-2.2 2,-0.2 5,-0.4 0.700 127.3 65.9 -31.7 -45.3 16.3 36.0 32.3 54 55 A Q H 3> S+ 0 0 147 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.889 115.5 29.5 -48.5 -44.9 12.9 35.3 30.9 55 56 A E H X S+ 0 0 3 -4,-1.8 4,-3.2 1,-0.3 3,-1.3 0.979 108.3 47.9 -48.3 -64.9 17.2 37.8 28.1 57 58 A R H 3X S+ 0 0 22 -4,-2.2 4,-3.1 1,-0.3 -1,-0.3 0.768 108.9 54.8 -48.5 -31.2 16.9 34.2 27.0 58 59 A R H 3X S+ 0 0 129 -4,-0.5 4,-1.4 -5,-0.4 -1,-0.3 0.928 114.5 39.5 -69.5 -42.1 14.3 35.1 24.5 59 60 A I H - 0 0 1 -2,-0.4 3,-2.5 1,-0.1 4,-0.4 -0.364 42.6-103.8 -55.3 135.6 26.9 32.7 26.1 79 80 A G T 3 S+ 0 0 16 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.610 114.8 42.2 -34.7 -42.0 27.0 30.3 29.1 80 81 A G T > S+ 0 0 5 1,-0.2 3,-2.1 2,-0.1 4,-0.4 0.487 83.1 98.4 -90.3 -4.4 23.3 30.0 29.9 81 82 A A G X S+ 0 0 0 -3,-2.5 3,-2.2 1,-0.3 6,-0.3 0.910 75.2 64.6 -48.6 -45.2 22.1 29.7 26.3 82 83 A V G 3 S+ 0 0 2 -4,-0.4 -1,-0.3 -3,-0.3 6,-0.2 0.730 87.5 70.1 -54.5 -22.4 21.9 25.9 26.6 83 84 A T G < S+ 0 0 46 -3,-2.1 -1,-0.3 4,-0.1 -2,-0.2 0.779 81.2 83.0 -67.0 -29.0 19.2 26.2 29.2 84 85 A S S X> S- 0 0 12 -3,-2.2 3,-1.9 -4,-0.4 4,-1.8 -0.697 75.8-147.6 -74.5 117.9 16.8 27.4 26.6 85 86 A P H 3> S+ 0 0 85 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.798 99.2 59.2 -57.9 -26.4 15.4 24.2 24.9 86 87 A G H 3> S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 -4,-0.1 0.701 102.6 51.7 -75.4 -20.4 15.1 26.2 21.7 87 88 A V H <> S+ 0 0 0 -3,-1.9 4,-1.7 -6,-0.3 -1,-0.2 0.871 111.3 48.9 -78.9 -37.0 18.8 26.9 21.8 88 89 A R H X S+ 0 0 51 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.799 112.5 46.2 -69.2 -36.5 19.3 23.1 22.2 89 90 A A H >< S+ 0 0 70 -4,-1.6 3,-0.9 -5,-0.2 -1,-0.2 0.900 110.1 53.9 -74.0 -43.9 17.1 22.3 19.4 90 91 A A H 3< S+ 0 0 25 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 105.1 57.3 -59.9 -29.2 18.7 24.9 17.2 91 92 A L H >< S+ 0 0 3 -4,-1.7 3,-2.6 2,-0.1 -1,-0.2 0.747 75.5 120.0 -74.3 -26.9 22.1 23.3 18.0 92 93 A A T << S+ 0 0 82 -3,-0.9 3,-0.1 -4,-0.8 50,-0.1 -0.113 82.5 12.2 -47.8 125.4 21.3 19.7 16.7 93 94 A G T 3 S+ 0 0 84 1,-0.4 -1,-0.3 3,-0.0 -2,-0.1 0.173 103.6 114.8 92.9 -19.3 23.5 18.6 13.9 94 95 A H S < S- 0 0 36 -3,-2.6 2,-0.9 -4,-0.1 -1,-0.4 -0.264 80.1 -98.8 -76.3 174.6 25.9 21.5 14.5 95 96 A T - 0 0 50 -93,-0.4 -90,-2.8 -3,-0.1 2,-0.5 -0.881 46.6-177.1 -98.6 104.7 29.5 21.1 15.7 96 97 A V E -b 5 0A 1 -2,-0.9 48,-2.7 -92,-0.2 49,-2.1 -0.959 11.1-163.7-108.7 112.5 29.3 21.8 19.4 97 98 A V E -bd 6 145A 0 -92,-3.4 -90,-2.8 -2,-0.5 2,-0.7 -0.918 6.9-154.7-103.0 117.5 32.5 21.8 21.4 98 99 A Y E -bd 7 146A 8 47,-3.2 49,-3.7 -2,-0.6 2,-0.9 -0.864 8.0-151.7 -91.1 108.7 31.9 21.5 25.2 99 100 A L E - d 0 147A 1 -92,-2.9 -90,-0.4 -2,-0.7 2,-0.3 -0.862 16.3-151.3 -85.6 104.4 35.0 23.1 26.8 100 101 A E E + d 0 148A 58 47,-3.2 49,-2.9 -2,-0.9 2,-0.3 -0.664 21.2 171.8 -80.4 134.4 35.1 21.1 30.1 101 102 A I - 0 0 11 -2,-0.3 -92,-0.1 47,-0.2 -89,-0.1 -0.990 31.7-119.2-141.2 140.3 36.7 23.0 33.1 102 103 A S > - 0 0 45 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.338 28.1-114.8 -75.3 167.6 36.7 21.8 36.7 103 104 A A H > S+ 0 0 10 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.864 115.2 53.0 -73.3 -32.6 35.0 24.0 39.3 104 105 A A H > S+ 0 0 56 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.968 116.4 36.7 -67.1 -50.9 38.2 24.8 41.0 105 106 A E H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.955 118.4 53.1 -66.5 -39.6 40.0 25.9 37.9 106 107 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.3 -2,-0.2 0.841 106.4 49.9 -60.4 -41.1 36.8 27.5 36.6 107 108 A V H < S+ 0 0 18 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.861 114.0 49.4 -67.2 -34.4 36.3 29.5 39.7 108 109 A R H >< S+ 0 0 168 -4,-1.6 3,-1.1 -5,-0.2 -2,-0.2 0.864 106.5 50.9 -76.7 -35.3 39.8 30.7 39.4 109 110 A R H >< S+ 0 0 87 -4,-2.4 3,-0.6 1,-0.3 -2,-0.2 0.909 113.4 46.2 -68.8 -39.7 39.9 31.7 35.7 110 111 A T G >< S+ 0 0 0 -4,-1.7 3,-2.8 1,-0.2 -1,-0.3 0.341 81.5 117.0 -79.8 9.1 36.8 33.8 36.2 111 112 A G G < + 0 0 40 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.740 67.0 59.8 -50.6 -26.7 38.5 35.2 39.4 112 113 A G G < S- 0 0 74 -3,-0.6 -1,-0.3 -4,-0.1 3,-0.2 0.621 104.8-128.9 -78.6 -13.5 38.6 38.7 37.9 113 114 A N < - 0 0 69 -3,-2.8 2,-2.7 1,-0.2 -2,-0.1 0.940 28.7-172.5 63.0 50.2 34.8 38.8 37.6 114 115 A T - 0 0 51 -4,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.476 65.8 -67.0 -75.1 71.3 34.9 39.9 34.0 115 116 A V S S+ 0 0 97 -2,-2.7 4,-0.0 -3,-0.2 0, 0.0 -0.663 79.1 150.1 77.2-126.5 31.1 40.4 34.2 116 117 A R > - 0 0 82 -2,-0.4 3,-2.5 2,-0.1 -1,-0.1 0.956 26.8-166.2 63.6 61.9 29.3 37.0 34.6 117 118 A P G > S+ 0 0 60 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 0.795 84.6 53.2 -40.7 -57.2 26.2 38.1 36.7 118 119 A L G 3 S+ 0 0 73 1,-0.3 13,-0.1 10,-0.0 -2,-0.1 0.618 105.6 62.5 -60.8 -11.1 25.0 34.7 37.8 119 120 A L G < S+ 0 0 4 -3,-2.5 -1,-0.3 -4,-0.0 5,-0.1 -0.130 75.1 161.7-108.8 37.0 28.6 34.4 39.1 120 121 A A < - 0 0 47 -3,-1.3 7,-0.1 1,-0.1 -4,-0.0 -0.192 47.3-107.5 -56.2 148.1 28.5 37.2 41.6 121 122 A G S > S+ 0 0 39 2,-0.1 3,-2.0 -8,-0.1 4,-0.2 0.769 85.2 99.5 -48.0 -51.3 31.3 37.2 44.3 122 123 A P T 3 S- 0 0 89 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.270 115.4 -16.2 -49.6 111.6 29.7 36.3 47.7 123 124 A D T 3> S+ 0 0 95 3,-0.1 4,-2.2 1,-0.1 3,-0.4 0.857 82.5 170.0 53.6 51.5 30.6 32.6 47.8 124 125 A R H <> + 0 0 21 -3,-2.0 4,-2.6 1,-0.2 5,-0.3 0.916 69.6 58.9 -56.6 -48.3 31.5 32.2 44.1 125 126 A A H > S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.889 110.2 43.5 -51.6 -42.4 33.1 28.7 44.5 126 127 A E H >> S+ 0 0 143 -3,-0.4 4,-2.2 1,-0.2 3,-0.7 0.969 114.1 52.0 -64.5 -48.4 29.8 27.4 45.8 127 128 A K H 3X S+ 0 0 61 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.784 109.6 48.9 -52.3 -42.6 27.9 29.3 43.1 128 129 A Y H 3X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.3 0.705 109.4 51.1 -74.0 -31.5 30.1 27.9 40.4 129 130 A R H X S+ 0 0 20 -4,-3.2 4,-2.5 1,-0.2 3,-0.9 0.812 101.0 78.3 -77.8 -31.3 24.6 23.4 33.2 136 137 A A H 3X S+ 0 0 8 -4,-2.3 4,-2.2 -5,-0.4 -1,-0.2 0.866 92.5 48.0 -45.6 -53.3 26.9 20.4 33.0 137 138 A P H 3> S+ 0 0 55 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.826 113.6 50.9 -58.7 -32.7 24.4 17.8 31.9 138 139 A L H X> S+ 0 0 24 -3,-0.9 4,-2.1 -4,-0.4 3,-0.9 0.953 106.6 50.6 -72.7 -51.7 23.1 20.2 29.2 139 140 A Y H 3X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.910 111.1 51.4 -54.3 -43.0 26.5 21.0 27.7 140 141 A R H 3< S+ 0 0 96 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.800 107.4 54.3 -63.4 -26.8 26.9 17.2 27.6 141 142 A R H << S+ 0 0 164 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.980 116.7 34.4 -65.8 -58.6 23.5 16.9 25.8 142 143 A V H < S+ 0 0 17 -4,-2.1 2,-0.2 -50,-0.1 -2,-0.2 0.527 95.6 109.3 -74.1 -11.2 24.3 19.4 23.0 143 144 A A < + 0 0 21 -4,-1.3 -46,-0.2 -5,-0.3 3,-0.2 -0.478 35.7 175.7 -79.0 138.8 28.0 18.5 22.7 144 145 A T S S+ 0 0 92 -48,-2.7 2,-0.3 1,-0.4 -47,-0.2 0.521 84.0 28.9-107.4 -15.0 29.4 16.7 19.7 145 146 A M E -d 97 0A 26 -49,-2.1 -47,-3.2 2,-0.0 2,-0.5 -0.954 70.0-158.0-148.0 124.8 32.9 17.1 21.1 146 147 A R E -d 98 0A 141 -2,-0.3 2,-0.5 -49,-0.2 -47,-0.2 -0.890 11.8-171.6-101.5 127.1 34.0 17.4 24.7 147 148 A V E -d 99 0A 0 -49,-3.7 -47,-3.2 -2,-0.5 2,-0.8 -0.958 18.6-141.9-125.7 119.1 37.3 19.0 25.4 148 149 A D E +d 100 0A 70 -2,-0.5 4,-0.4 -49,-0.2 3,-0.3 -0.661 19.9 178.7 -75.3 110.9 38.9 19.0 28.8 149 150 A T + 0 0 3 -49,-2.9 -1,-0.1 -2,-0.8 -48,-0.1 0.194 51.7 102.3 -96.6 14.0 40.6 22.4 29.1 150 151 A N S S+ 0 0 48 -50,-0.2 -1,-0.2 1,-0.1 -49,-0.1 0.903 98.1 10.7 -65.4 -52.9 41.8 21.8 32.7 151 152 A R S S+ 0 0 230 -3,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.865 109.3 94.6 -89.0 -57.1 45.4 21.0 32.1 152 153 A R S S- 0 0 90 -4,-0.4 5,-0.0 4,-0.1 0, 0.0 0.002 72.0-130.7 -40.0 127.9 45.7 22.1 28.4 153 154 A N > - 0 0 93 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.197 36.4 -96.0 -71.4 167.1 46.9 25.6 27.6 154 155 A P H >> S+ 0 0 50 0, 0.0 4,-2.9 0, 0.0 3,-0.6 0.963 125.1 54.1 -53.6 -50.7 44.7 27.5 25.2 155 156 A G H 3> S+ 0 0 7 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.874 109.7 48.5 -48.6 -45.1 46.8 26.7 22.2 156 157 A A H 3> S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.826 110.2 49.2 -69.0 -33.4 46.5 23.0 23.0 157 158 A V H X S+ 0 0 0 -4,-2.0 3,-1.4 2,-0.2 4,-1.0 0.965 115.0 49.6 -70.4 -45.5 39.7 21.2 18.3 162 163 A L H >< S+ 0 0 59 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.958 106.7 54.9 -54.4 -57.9 41.5 21.9 15.0 163 164 A S H 3< S+ 0 0 96 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.728 117.1 39.6 -49.4 -22.0 42.8 18.4 14.9 164 165 A R H << 0 0 135 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.484 360.0 360.0-112.2 -5.3 39.1 17.3 15.3 165 166 A L << 0 0 88 -3,-1.6 -161,-0.1 -4,-1.0 -162,-0.0 -0.590 360.0 360.0 -68.7 360.0 37.0 19.6 13.2