==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-JAN-11 3QJA . COMPND 2 MOLECULE: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.C.M.REDDY,J.B.BRUNING,C.THURMAN,J.C.SACCHETTINI,TB STRUCTU . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 18 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 0 0 3 3 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 4 A A > 0 0 114 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -40.8 5.5 65.1 19.9 2 5 A T H > + 0 0 78 2,-0.2 4,-1.2 1,-0.2 0, 0.0 0.875 360.0 46.8 -70.8 -41.2 4.1 64.4 23.4 3 6 A V H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 112.4 51.6 -67.8 -38.6 3.0 60.8 22.8 4 7 A L H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.863 102.6 60.1 -64.9 -36.8 6.4 60.1 21.1 5 8 A D H X S+ 0 0 95 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.879 103.6 51.6 -55.3 -39.2 8.1 61.6 24.2 6 9 A S H X S+ 0 0 59 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.899 110.0 47.6 -68.2 -40.3 6.4 58.9 26.3 7 10 A I H X S+ 0 0 79 -4,-1.6 4,-1.8 1,-0.2 3,-0.3 0.932 112.1 50.4 -61.5 -46.2 7.7 56.2 23.9 8 11 A L H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.818 100.9 63.2 -66.2 -29.5 11.2 57.7 24.1 9 12 A E H X S+ 0 0 143 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.925 106.2 45.2 -58.1 -44.6 11.1 57.8 27.9 10 13 A G H X S+ 0 0 34 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.894 112.5 50.6 -65.9 -41.2 10.9 54.0 27.8 11 14 A V H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.944 112.5 46.4 -60.7 -47.8 13.6 53.7 25.2 12 15 A R H X S+ 0 0 91 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.867 110.4 53.7 -65.0 -37.3 15.9 56.0 27.3 13 16 A A H X S+ 0 0 58 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.935 110.2 46.9 -60.4 -47.1 15.1 54.0 30.5 14 17 A D H X S+ 0 0 67 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 110.3 52.3 -66.2 -38.7 16.1 50.8 28.8 15 18 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.942 109.9 49.6 -58.3 -47.7 19.3 52.3 27.4 16 19 A A H X S+ 0 0 56 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.898 110.0 50.5 -61.2 -40.1 20.2 53.5 30.9 17 20 A A H >< S+ 0 0 62 -4,-2.2 3,-0.5 2,-0.2 4,-0.5 0.933 111.8 47.6 -63.6 -42.9 19.6 50.1 32.4 18 21 A R H >X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 3,-1.6 0.914 108.2 55.7 -63.2 -39.7 21.8 48.4 29.7 19 22 A E H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.739 95.6 66.7 -66.5 -23.6 24.5 51.0 30.4 20 23 A A T << S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.700 116.0 26.8 -69.3 -20.4 24.5 50.0 34.1 21 24 A S T <4 S+ 0 0 105 -3,-1.6 2,-0.5 -4,-0.5 -2,-0.2 0.664 131.0 37.2-110.8 -31.1 25.9 46.6 33.1 22 25 A V S < S- 0 0 65 -4,-2.6 -1,-0.3 -5,-0.1 5,-0.0 -0.931 91.5-144.1-123.0 101.5 27.7 47.3 29.8 23 26 A S > - 0 0 42 -2,-0.5 4,-2.7 -3,-0.2 5,-0.2 -0.077 21.6-110.3 -68.9 164.6 29.3 50.7 30.3 24 27 A L H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 121.7 51.6 -56.3 -44.4 29.7 53.5 27.7 25 28 A S H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 111.1 48.1 -60.3 -43.7 33.5 52.8 27.7 26 29 A E H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.913 112.8 46.3 -63.6 -43.1 32.9 49.1 27.2 27 30 A I H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.874 110.6 53.5 -73.2 -32.7 30.4 49.6 24.3 28 31 A K H X S+ 0 0 84 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.919 110.9 47.2 -61.3 -43.4 32.7 52.1 22.7 29 32 A A H X S+ 0 0 62 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.904 111.1 51.3 -65.3 -41.1 35.6 49.6 22.9 30 33 A A H X S+ 0 0 43 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.909 110.9 48.5 -61.8 -42.5 33.3 46.8 21.4 31 34 A A H >< S+ 0 0 6 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.928 110.3 50.9 -63.6 -44.3 32.3 49.1 18.6 32 35 A A H 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.2 46.0 -62.9 -32.3 36.0 50.0 17.8 33 36 A A H 3< S+ 0 0 85 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.517 90.1 112.4 -87.4 -8.0 37.0 46.3 17.7 34 37 A A S << S- 0 0 19 -3,-0.9 84,-0.1 -4,-0.7 85,-0.1 -0.217 83.0 -84.5 -68.4 156.2 34.0 45.1 15.6 35 38 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 85,-0.1 -0.289 67.4 -82.0 -53.8 142.9 34.5 43.8 12.0 36 39 A P - 0 0 116 0, 0.0 2,-0.1 0, 0.0 111,-0.1 -0.140 45.6-115.9 -57.1 143.5 34.5 46.8 9.6 37 40 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 85,-0.1 -0.438 27.8-114.8 -73.2 150.7 31.3 48.4 8.5 38 41 A L - 0 0 69 -2,-0.1 2,-0.9 63,-0.1 111,-0.2 -0.655 27.9-110.1 -81.3 141.7 30.2 48.2 4.8 39 42 A D > - 0 0 98 -2,-0.3 4,-1.4 1,-0.2 109,-0.1 -0.627 33.0-171.6 -70.3 103.3 30.0 51.5 2.9 40 43 A V H > S+ 0 0 0 -2,-0.9 4,-2.6 82,-0.3 -1,-0.2 0.799 79.5 63.1 -75.0 -27.2 26.2 51.6 2.4 41 44 A M H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 104.5 47.5 -59.6 -46.3 26.4 54.6 0.0 42 45 A A H 4 S+ 0 0 47 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.901 111.1 51.2 -62.3 -41.0 28.3 52.4 -2.4 43 46 A A H >< S+ 0 0 12 -4,-1.4 3,-1.3 1,-0.2 -2,-0.2 0.933 110.0 49.6 -60.4 -45.6 25.7 49.6 -2.0 44 47 A L H 3< S+ 0 0 3 -4,-2.6 6,-0.2 1,-0.3 -1,-0.2 0.769 105.4 57.9 -67.3 -26.3 22.9 52.0 -2.7 45 48 A R T 3< S+ 0 0 159 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.489 79.3 116.3 -84.0 -3.0 24.6 53.3 -5.8 46 49 A E S < S- 0 0 108 -3,-1.3 4,-0.1 -4,-0.4 -3,-0.0 -0.332 81.2 -83.3 -63.0 147.4 24.7 49.9 -7.5 47 50 A P S S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.156 92.3 32.4 -56.0 145.5 22.7 49.5 -10.7 48 51 A G S S- 0 0 60 -3,-0.1 2,-0.7 2,-0.1 196,-0.0 -0.042 103.0 -55.5 95.2 163.0 19.0 48.8 -10.4 49 52 A I - 0 0 55 195,-0.2 174,-0.2 174,-0.1 197,-0.1 -0.662 62.5-131.5 -79.6 112.7 16.3 49.8 -7.9 50 53 A G E -a 223 0A 1 172,-2.1 174,-2.5 -2,-0.7 2,-0.6 -0.379 11.8-146.6 -69.3 141.2 17.6 48.5 -4.6 51 54 A V E -a 224 0A 2 19,-0.3 21,-2.6 172,-0.2 22,-1.2 -0.949 5.8-162.5-109.5 121.0 15.3 46.5 -2.3 52 55 A I E -ab 225 73A 0 172,-2.9 174,-2.6 -2,-0.6 2,-0.5 -0.929 14.7-158.8-102.0 113.9 15.7 46.9 1.4 53 56 A A E -ab 226 74A 0 20,-2.1 22,-2.4 -2,-0.7 2,-0.4 -0.833 6.9-140.7-104.6 129.1 14.0 43.9 3.0 54 57 A E E - b 0 75A 8 172,-2.2 2,-0.6 -2,-0.5 22,-0.2 -0.763 9.9-155.6-104.4 129.4 12.9 44.1 6.6 55 58 A V E b 0 76A 15 20,-3.5 22,-2.2 -2,-0.4 172,-0.0 -0.894 360.0 360.0 -88.3 116.3 13.0 41.6 9.4 56 59 A K 0 0 122 -2,-0.6 22,-0.1 20,-0.2 23,-0.0 -0.969 360.0 360.0-158.0 360.0 10.3 42.5 12.0 57 ! 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 58 73 A D > 0 0 146 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 118.9 14.3 32.3 12.5 59 74 A P H > + 0 0 32 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.833 360.0 52.5 -63.8 -32.6 15.5 35.8 11.8 60 75 A A H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.899 110.1 48.5 -65.0 -43.5 18.8 34.6 10.2 61 76 A K H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 112.1 49.2 -63.8 -40.4 16.9 32.3 7.9 62 77 A L H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.946 111.2 48.9 -63.8 -47.5 14.6 35.1 6.9 63 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.892 110.8 51.3 -58.8 -40.1 17.5 37.5 6.3 64 79 A Q H X S+ 0 0 91 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.881 107.3 52.4 -66.1 -39.3 19.2 34.8 4.1 65 80 A A H X S+ 0 0 16 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.922 110.0 50.0 -59.5 -43.7 16.1 34.3 2.1 66 81 A Y H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.5 0.936 112.5 45.4 -60.0 -48.3 16.1 38.1 1.5 67 82 A Q H ><5S+ 0 0 47 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.932 110.9 54.1 -61.9 -44.1 19.7 38.0 0.4 68 83 A D H 3<5S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 106.0 53.6 -56.5 -38.1 19.1 35.0 -1.8 69 84 A G T 3<5S- 0 0 9 -4,-1.9 -1,-0.3 -5,-0.2 175,-0.2 0.524 128.9 -95.7 -76.2 -8.8 16.3 36.8 -3.5 70 85 A G T < 5 + 0 0 37 -3,-1.6 -19,-0.3 -4,-0.5 -3,-0.2 0.575 60.2 169.1 105.5 14.9 18.5 39.8 -4.3 71 86 A A < - 0 0 6 -5,-2.4 -1,-0.2 -6,-0.2 -19,-0.2 -0.257 27.3-151.4 -55.7 144.4 17.9 42.3 -1.5 72 87 A R S S+ 0 0 30 -21,-2.6 2,-0.3 1,-0.3 -20,-0.2 0.810 78.6 6.6 -84.6 -36.1 20.4 45.1 -1.4 73 88 A I E -b 52 0A 0 -22,-1.2 -20,-2.1 26,-0.2 2,-0.5 -0.979 67.1-137.9-146.0 146.8 20.2 45.7 2.4 74 89 A V E -bc 53 101A 0 26,-2.5 28,-2.9 -2,-0.3 2,-0.4 -0.949 16.7-152.8-108.0 131.8 18.5 43.9 5.2 75 90 A S E -bc 54 102A 0 -22,-2.4 -20,-3.5 -2,-0.5 2,-0.5 -0.850 5.3-163.0-102.2 139.2 16.7 45.9 7.9 76 91 A V E -bc 55 103A 7 26,-2.8 28,-2.6 -2,-0.4 2,-0.4 -0.987 9.5-149.1-125.8 117.7 16.3 44.6 11.4 77 92 A V E - c 0 104A 51 -22,-2.2 28,-0.2 -2,-0.5 2,-0.1 -0.728 19.3-117.8 -90.1 135.9 13.8 46.2 13.7 78 93 A T - 0 0 12 26,-2.1 2,-0.6 -2,-0.4 5,-0.1 -0.423 13.0-150.9 -70.9 141.6 14.4 46.3 17.5 79 94 A E > - 0 0 20 3,-0.2 3,-1.6 -2,-0.1 7,-0.3 -0.924 7.3-165.3-112.0 99.6 11.9 44.6 19.8 80 95 A Q G > S+ 0 0 41 -2,-0.6 3,-0.6 1,-0.3 -1,-0.1 0.728 81.4 63.5 -56.6 -24.0 12.1 46.7 23.0 81 96 A R G 3 S+ 0 0 208 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.599 115.2 26.3 -83.7 -16.1 10.4 44.0 25.1 82 97 A R G <> S+ 0 0 119 -3,-1.6 4,-2.4 1,-0.1 -1,-0.3 -0.493 76.8 162.1-142.4 65.0 13.0 41.3 24.7 83 98 A F H <> S+ 0 0 26 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.866 70.9 48.0 -69.7 -43.6 16.1 43.4 24.1 84 99 A Q H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 115.6 48.6 -62.5 -39.5 19.0 40.9 24.8 85 100 A G H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.878 108.8 53.9 -62.1 -39.2 17.1 38.5 22.5 86 101 A S H X S+ 0 0 3 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.911 109.1 48.0 -59.9 -44.6 16.8 41.3 20.0 87 102 A L H X S+ 0 0 10 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.911 110.0 52.0 -64.0 -41.3 20.6 41.8 20.1 88 103 A D H X S+ 0 0 99 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 110.6 48.9 -59.6 -41.1 21.1 38.0 19.7 89 104 A D H X S+ 0 0 45 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.874 108.6 52.2 -67.0 -39.1 18.9 38.1 16.7 90 105 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.917 111.3 48.1 -61.3 -42.9 20.8 41.1 15.3 91 106 A D H X S+ 0 0 65 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.903 111.3 50.1 -62.5 -42.9 24.0 39.1 15.7 92 107 A A H X S+ 0 0 36 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.916 112.0 47.0 -63.5 -43.9 22.5 36.1 14.1 93 108 A V H >X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 3,-1.0 0.925 109.2 55.4 -61.2 -44.1 21.3 38.2 11.1 94 109 A R H 3< S+ 0 0 54 -4,-2.6 3,-0.4 1,-0.3 -2,-0.2 0.880 109.6 46.0 -56.6 -39.6 24.8 39.7 10.9 95 110 A A H 3< S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.638 109.7 57.3 -76.1 -14.8 26.4 36.2 10.6 96 111 A S H << S+ 0 0 13 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 0.695 107.4 38.5 -92.6 -21.6 23.8 35.1 8.0 97 112 A V < - 0 0 10 -4,-1.1 -1,-0.1 -3,-0.4 -33,-0.1 -0.930 50.5-157.6-135.1 153.4 24.3 37.8 5.3 98 113 A S S S+ 0 0 91 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.549 71.8 91.5-104.0 -14.5 27.2 39.7 3.7 99 114 A I S S- 0 0 32 1,-0.2 -26,-0.2 -28,-0.1 -2,-0.1 -0.291 94.5 -72.4 -72.7 164.4 25.0 42.6 2.4 100 115 A P - 0 0 8 0, 0.0 -26,-2.5 0, 0.0 2,-0.5 -0.245 42.8-141.1 -63.9 151.2 24.6 45.7 4.6 101 116 A V E -c 74 0A 0 19,-0.3 21,-2.8 -28,-0.2 22,-2.2 -0.965 7.1-156.6-115.9 124.9 22.5 45.6 7.7 102 117 A L E -cd 75 123A 0 -28,-2.9 -26,-2.8 -2,-0.5 2,-0.6 -0.896 9.1-150.9 -98.2 124.8 20.3 48.5 8.8 103 118 A R E -cd 76 124A 7 20,-2.6 22,-2.1 -2,-0.5 2,-0.5 -0.880 8.4-162.1 -97.4 120.4 19.4 48.6 12.4 104 119 A K E +c 77 0A 20 -28,-2.6 -26,-2.1 -2,-0.6 2,-0.3 -0.908 33.3 125.2-100.0 128.7 16.1 50.3 13.1 105 120 A D S S- 0 0 24 -2,-0.5 2,-1.1 20,-0.2 -2,-0.0 -0.878 74.6 -82.7-155.9 179.5 15.5 51.5 16.7 106 121 A F - 0 0 70 -2,-0.3 2,-0.8 -99,-0.1 20,-0.1 -0.800 54.7-164.7 -91.4 87.9 14.5 54.8 18.3 107 122 A V + 0 0 7 -2,-1.1 20,-0.3 18,-0.4 32,-0.1 -0.677 34.7 136.7 -85.8 106.8 18.1 56.1 18.3 108 123 A V + 0 0 8 -2,-0.8 -1,-0.2 1,-0.2 31,-0.1 0.483 56.0 52.3-128.3 -9.5 18.4 59.1 20.6 109 124 A Q S >> S- 0 0 56 1,-0.1 3,-1.3 30,-0.0 4,-0.7 -0.974 77.8-118.7-136.3 146.5 21.6 58.7 22.5 110 125 A P H >> S+ 0 0 50 0, 0.0 4,-1.8 0, 0.0 3,-1.1 0.829 108.4 67.4 -50.7 -37.9 25.3 58.1 21.6 111 126 A Y H 3> S+ 0 0 6 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.884 97.3 53.7 -50.1 -43.6 25.3 54.8 23.5 112 127 A Q H <> S+ 0 0 4 -3,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.766 104.6 54.8 -66.1 -27.4 22.9 53.2 21.0 113 128 A I H S+ 0 0 6 -4,-2.1 5,-2.4 1,-0.2 3,-0.3 0.922 112.5 48.4 -62.2 -42.6 24.6 49.1 17.0 117 132 A R H ><5S+ 0 0 7 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.909 106.2 56.8 -63.0 -43.5 28.1 49.2 15.5 118 133 A A H 3<5S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.6 49.9 -58.2 -32.2 29.3 46.6 18.1 119 134 A H T 3<5S- 0 0 39 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.289 127.2 -96.8 -94.5 10.8 26.6 44.3 16.8 120 135 A G T < 5 + 0 0 6 -3,-1.9 -19,-0.3 1,-0.3 -3,-0.2 0.530 64.2 158.6 96.0 8.6 27.5 44.7 13.1 121 136 A A < - 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0 0 8 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.264 16.1-175.6 -57.8 137.2 22.0 64.0 5.7 169 184 A K S S+ 0 0 107 1,-0.3 31,-2.5 -19,-0.3 2,-0.4 0.641 77.2 36.7-102.5 -27.1 23.5 62.0 2.9 170 185 A V E S- g 0 200A 0 -20,-0.5 -18,-2.3 29,-0.2 2,-0.5 -0.993 71.3-170.7-130.2 120.6 20.7 59.4 2.7 171 186 A I E -fg 152 201A 0 29,-2.6 31,-2.5 -2,-0.4 2,-0.5 -0.965 4.6-162.5-116.4 126.2 17.1 60.5 3.2 172 187 A G E -fg 153 202A 0 -20,-2.2 -18,-2.9 -2,-0.5 2,-0.7 -0.930 7.7-152.1-103.7 129.0 14.2 58.0 3.5 173 188 A V E -fg 154 203A 2 29,-2.7 31,-2.7 -2,-0.5 2,-0.6 -0.917 12.7-152.0 -99.3 116.5 10.7 59.3 3.1 174 189 A N E - g 0 204A 18 -20,-2.5 31,-0.2 -2,-0.7 4,-0.1 -0.820 8.3-157.6 -92.7 119.9 8.3 57.1 5.1 175 190 A A S S+ 0 0 3 29,-2.6 9,-2.8 -2,-0.6 2,-0.5 0.775 75.5 78.7 -62.6 -27.8 4.8 56.9 3.6 176 191 A R B S-I 183 0B 81 28,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.733 83.4-127.2 -91.8 128.5 3.5 56.0 7.0 177 192 A D > - 0 0 52 5,-1.8 4,-1.3 -2,-0.5 -2,-0.1 -0.527 18.2-135.3 -66.3 133.0 3.0 58.5 9.8 178 193 A L T 4 S+ 0 0 74 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.840 97.7 24.4 -61.4 -35.8 4.8 57.4 12.9 179 194 A M T 4 S+ 0 0 81 3,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.892 129.8 36.2 -98.1 -52.5 1.9 58.2 15.3 180 195 A T T 4 S- 0 0 74 2,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.622 88.6-141.7 -81.2 -15.9 -1.3 58.1 13.2 181 196 A L < + 0 0 110 -4,-1.3 2,-0.5 1,-0.2 -3,-0.1 0.594 43.8 155.7 61.4 14.8 -0.2 55.2 11.0 182 197 A D - 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0 0 7 -5,-2.3 -1,-0.3 1,-0.2 -19,-0.2 -0.441 25.7-166.3 -63.7 126.5 13.9 56.5 -5.4 222 237 A D S S+ 0 0 63 -21,-2.8 -172,-2.1 1,-0.3 2,-0.3 0.744 78.0 5.5 -77.8 -28.1 17.3 54.8 -5.4 223 238 A A E -ah 50 202A 0 -22,-1.1 -20,-2.2 -174,-0.2 2,-0.4 -0.972 66.9-143.3-153.3 160.1 16.0 52.1 -3.2 224 239 A V E -ah 51 203A 0 -174,-2.5 -172,-2.9 -2,-0.3 2,-0.5 -0.993 11.8-142.8-133.0 133.0 12.7 51.0 -1.7 225 240 A L E -ah 52 204A 3 -22,-2.6 -20,-1.7 -2,-0.4 2,-0.4 -0.872 18.7-174.8-102.9 129.9 12.1 49.5 1.8 226 241 A V E +a 53 0A 7 -174,-2.6 -172,-2.2 -2,-0.5 -2,-0.0 -0.989 16.8 151.3-129.8 130.8 9.5 46.8 2.2 227 242 A G >> + 0 0 7 -2,-0.4 4,-2.9 -174,-0.2 3,-1.9 0.649 66.8 38.7-118.2 -82.9 8.4 45.1 5.5 228 243 A E H 3> S+ 0 0 117 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.838 113.7 53.7 -48.3 -50.5 4.8 43.8 5.8 229 244 A G H 34 S+ 0 0 47 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.0 0.669 118.4 37.1 -63.5 -19.2 4.5 42.3 2.3 230 245 A L H X4 S+ 0 0 3 -3,-1.9 3,-1.2 2,-0.1 -2,-0.2 0.825 114.2 51.4 -96.3 -47.0 7.8 40.4 2.8 231 246 A V H 3< S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.840 115.8 43.3 -62.2 -32.1 7.5 39.3 6.5 232 247 A T T 3< S+ 0 0 90 -4,-2.3 -1,-0.3 -5,-0.3 2,-0.2 0.386 90.7 111.9 -94.5 3.0 4.0 37.9 6.0 233 248 A S < - 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0 0 98 1,-0.1 -2,-0.1 -2,-0.1 3,-0.1 -0.286 25.8 -92.5 -66.1 149.3 13.1 40.3 -19.9 252 267 A C - 0 0 120 -4,-0.1 -1,-0.1 1,-0.1 -4,-0.0 -0.342 53.2-101.2 -60.2 141.5 14.1 41.1 -23.5 253 268 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.287 28.6-118.4 -69.5 152.4 14.2 37.9 -25.6 254 269 A K 0 0 97 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.775 360.0 360.0 -86.9 128.5 17.4 36.2 -26.5 255 270 A P 0 0 182 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.972 360.0 360.0 -59.5 360.0 18.2 36.0 -30.2