==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-NOV-06 2O2J . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.P.BURENKOV,G.S.KACHALOVA,H.D.BARTUNIK,MYCOBACTERIUM . 631 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 46 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 2 1 3 1 1 1 1 1 1 4 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 8 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 29 A Y 0 0 284 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.4 89.6 55.3 29.9 2 30 A V - 0 0 54 1,-0.0 5,-0.1 2,-0.0 2,-0.0 -0.681 360.0-122.7 -79.9 116.8 90.8 55.6 26.3 3 31 A P > - 0 0 56 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.268 16.1-130.0 -46.6 134.8 94.7 56.2 26.0 4 32 A E G > S+ 0 0 168 1,-0.3 3,-2.9 2,-0.2 4,-0.3 0.845 101.7 73.2 -63.9 -35.2 95.6 59.4 24.1 5 33 A A G 3 S+ 0 0 83 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.645 91.4 63.6 -50.9 -19.2 98.0 57.7 21.7 6 34 A L G <> S+ 0 0 2 -3,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.420 77.6 88.9 -79.9 -9.6 94.8 56.3 20.1 7 35 A M H <> S+ 0 0 95 -3,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.868 79.3 53.8 -73.6 -43.6 93.4 59.6 19.0 8 36 A A H > S+ 0 0 82 -3,-0.3 4,-0.6 -4,-0.3 -1,-0.2 0.869 119.0 43.3 -50.4 -34.2 94.9 60.1 15.4 9 37 A V H >> S+ 0 0 11 -3,-0.2 4,-1.7 -4,-0.2 3,-0.5 0.895 107.7 52.2 -86.7 -48.9 93.4 56.5 14.9 10 38 A I H 3X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.920 109.3 55.7 -50.3 -47.1 89.9 56.8 16.5 11 39 A E H 3X S+ 0 0 136 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.782 102.3 54.1 -46.8 -44.3 89.5 59.9 14.3 12 40 A E H X S- 0 0 41 -4,-1.1 3,-0.8 1,-0.1 4,-0.6 -0.227 70.2-143.6 -55.8 138.2 75.4 57.1 2.2 24 52 A Q H 3> S+ 0 0 147 1,-0.2 4,-0.6 2,-0.1 5,-0.1 0.603 90.5 74.3 -72.8 -15.4 72.7 54.6 1.0 25 53 A D H 3> S+ 0 0 95 1,-0.1 4,-1.1 2,-0.1 -1,-0.2 0.710 90.3 54.9 -79.0 -15.0 75.3 52.0 -0.0 26 54 A F H X> S+ 0 0 1 -3,-0.8 4,-1.5 -6,-0.4 3,-1.0 0.995 103.8 45.0 -83.7 -61.1 76.3 50.9 3.4 27 55 A L H 3X S+ 0 0 25 -4,-0.6 4,-1.0 -7,-0.3 -1,-0.2 0.583 113.5 54.3 -65.6 -7.8 73.3 49.8 5.1 28 56 A D H 3X S+ 0 0 84 -4,-0.6 4,-2.6 2,-0.2 -1,-0.3 0.795 108.1 48.8 -90.2 -33.2 72.2 47.9 2.0 29 57 A D H < S+ 0 0 137 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.987 114.9 50.5 -59.8 -54.1 72.7 41.8 2.1 33 61 A L H 3< S+ 0 0 18 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.813 115.0 40.7 -56.2 -36.6 75.5 40.5 4.3 34 62 A Q H >X S+ 0 0 5 -4,-2.7 3,-2.2 -5,-0.1 4,-0.7 0.755 86.0 123.4 -94.1 -1.1 73.4 39.9 7.2 35 63 A A T << S- 0 0 32 -3,-1.2 -3,-0.0 -4,-1.2 -4,-0.0 -0.196 91.2 -10.9 -62.1 121.4 70.4 38.4 5.2 36 64 A N T 34 S+ 0 0 34 4,-1.7 -1,-0.3 1,-0.1 344,-0.1 0.527 112.1 105.1 74.1 6.9 69.5 34.9 6.3 37 65 A Y T <4 S- 0 0 5 -3,-2.2 -2,-0.2 3,-0.4 -1,-0.1 0.931 91.6 -5.9 -82.7 -75.7 72.6 34.6 8.4 38 66 A A S < S- 0 0 3 -4,-0.7 -1,-0.2 2,-0.2 37,-0.2 -0.553 123.6 -54.2-133.9 73.4 72.0 35.0 12.2 39 67 A G S S+ 0 0 31 1,-0.2 -4,-0.1 -3,-0.1 27,-0.1 0.261 87.5 151.0 95.1 -7.6 68.4 35.9 12.5 40 68 A R + 0 0 9 -6,-0.5 -4,-1.7 31,-0.1 -3,-0.4 -0.822 52.1 46.5-100.2 143.1 68.0 38.9 10.3 41 69 A P S S- 0 0 58 0, 0.0 -2,-0.1 0, 0.0 153,-0.1 0.687 87.1-148.0 -76.9 153.7 65.6 39.9 8.8 42 70 A S - 0 0 0 -2,-0.2 22,-0.1 1,-0.1 -2,-0.1 -0.604 26.8 -88.3 -94.0 159.5 63.3 39.4 11.7 43 71 A P - 0 0 29 0, 0.0 20,-3.6 0, 0.0 2,-0.6 -0.261 21.8-150.2 -82.1 149.0 59.7 38.5 11.2 44 72 A L E -A 62 0A 0 18,-0.2 2,-0.5 19,-0.1 18,-0.2 -0.956 22.1-162.0-110.2 112.1 56.8 40.7 10.7 45 73 A Y E -A 61 0A 21 16,-2.9 16,-2.4 -2,-0.6 2,-0.8 -0.820 16.9-139.1-105.8 125.2 53.7 39.0 12.1 46 74 A E E -A 60 0A 46 -2,-0.5 2,-2.0 14,-0.2 14,-0.2 -0.724 16.1-156.1 -75.9 115.8 50.2 39.9 11.1 47 75 A A >> + 0 0 0 12,-2.9 3,-1.5 -2,-0.8 4,-0.7 -0.562 19.8 174.5 -91.5 73.7 48.5 39.7 14.5 48 76 A T T 34 + 0 0 87 -2,-2.0 3,-0.5 1,-0.2 4,-0.4 0.747 67.8 63.2 -67.9 -14.3 45.1 39.2 13.0 49 77 A R T 34 S+ 0 0 87 1,-0.2 4,-0.4 -3,-0.2 3,-0.3 0.819 95.4 60.5 -77.2 -16.5 43.3 38.5 16.3 50 78 A L T X4 S+ 0 0 0 -3,-1.5 3,-1.4 1,-0.2 6,-0.3 0.802 83.0 84.9 -67.0 -26.5 44.0 42.1 17.5 51 79 A S G ><>S+ 0 0 27 -4,-0.7 5,-2.5 -3,-0.5 3,-2.4 0.902 84.7 53.4 -50.7 -51.1 42.1 43.5 14.6 52 80 A Q G 3 5S+ 0 0 160 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.3 0.864 111.6 46.2 -44.9 -42.2 38.8 43.2 16.4 53 81 A H G < 5S+ 0 0 79 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.137 111.7 56.9 -92.1 20.2 40.2 45.3 19.5 54 82 A A T X 5S- 0 0 0 -3,-2.4 3,-2.3 -4,-0.1 -1,-0.2 -0.200 124.6 -88.5-143.2 43.5 41.8 47.9 17.1 55 83 A G T 3 5S- 0 0 27 -3,-0.4 -3,-0.2 1,-0.3 240,-0.2 0.626 81.4 -73.2 44.8 22.3 38.9 49.3 14.9 56 84 A S T 3 + 0 0 7 -20,-3.6 3,-1.8 -2,-0.7 4,-0.2 -0.209 53.2 139.9 -85.7 57.0 59.3 40.6 16.0 64 92 A E G > + 0 0 18 -2,-1.6 3,-0.9 1,-0.2 239,-0.3 0.635 67.9 76.1 -56.2 -8.0 62.5 41.8 17.6 65 93 A D G 3 S+ 0 0 34 236,-0.8 -1,-0.2 -3,-0.3 240,-0.2 0.812 84.6 63.5 -75.9 -22.4 61.3 39.7 20.6 66 94 A L G < S+ 0 0 33 -3,-1.8 2,-0.8 -23,-0.1 -1,-0.2 0.606 76.1 118.5 -74.1 -10.4 62.4 36.5 18.7 67 95 A N < - 0 0 34 -3,-0.9 2,-0.3 -4,-0.2 5,-0.1 -0.415 60.6-144.7 -68.2 107.5 66.1 37.5 18.6 68 96 A H >> - 0 0 65 -2,-0.8 4,-0.7 3,-0.1 3,-0.7 -0.529 27.3-125.6 -51.0 118.0 68.3 35.1 20.4 69 97 A T T 34 S+ 0 0 117 -2,-0.3 2,-0.3 1,-0.2 -1,-0.0 -0.552 102.8 49.1 -69.1 144.3 71.0 37.7 21.9 70 98 A G T 3> S+ 0 0 16 -2,-0.1 4,-1.5 -32,-0.0 -1,-0.2 -0.366 105.0 57.2 111.8 -60.1 74.3 36.3 20.6 71 99 A S H <> S+ 0 0 24 -3,-0.7 4,-1.2 -2,-0.3 -2,-0.2 0.622 106.4 56.5 -63.4 -19.2 72.8 36.2 17.1 72 100 A H H X S+ 0 0 41 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.871 102.1 50.7 -74.5 -45.1 72.4 39.9 18.1 73 101 A K H > S+ 0 0 87 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 111.8 49.4 -58.6 -42.3 76.2 40.4 18.8 74 102 A I H X S+ 0 0 26 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.935 110.6 49.2 -64.2 -42.8 77.0 38.9 15.4 75 103 A N H X S+ 0 0 12 -4,-1.2 4,-0.7 1,-0.2 -2,-0.2 0.971 115.2 43.1 -60.6 -44.2 74.5 41.0 13.8 76 104 A N H >X S+ 0 0 35 -4,-2.8 4,-0.8 1,-0.2 3,-0.6 0.848 116.1 50.3 -64.6 -37.0 76.0 44.2 15.5 77 105 A V H 3X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.3 5,-0.3 0.782 96.4 67.6 -80.5 -22.4 79.6 42.9 14.8 78 106 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.3 0.890 95.3 58.0 -62.5 -30.2 79.0 42.3 11.2 79 107 A G H S+ 0 0 1 -4,-3.9 5,-1.8 1,-0.2 3,-0.4 0.835 107.7 51.5 -46.3 -38.1 86.7 47.7 8.4 85 113 A R H ><5S+ 0 0 112 -4,-1.6 3,-1.7 -5,-0.3 -1,-0.2 0.951 106.5 52.8 -75.0 -42.4 86.5 46.2 5.0 86 114 A R H 3<5S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.630 103.3 56.6 -70.7 -7.9 85.4 49.4 3.4 87 115 A M T 3<5S- 0 0 38 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.510 117.3-112.5 -84.7 -6.5 88.4 51.3 4.9 88 116 A G T < 5 + 0 0 54 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.666 68.8 148.0 72.7 17.2 90.7 48.9 3.2 89 117 A K < - 0 0 13 -5,-1.8 -1,-0.3 -6,-0.2 81,-0.2 -0.684 28.9-169.1 -75.1 141.2 91.8 47.5 6.6 90 118 A T + 0 0 91 79,-1.3 25,-1.4 -2,-0.3 2,-0.3 0.506 60.2 47.3-113.5 -9.5 92.6 43.8 6.2 91 119 A R E -fg 115 170B 49 78,-2.4 80,-1.7 23,-0.2 2,-0.4 -0.983 62.3-158.8-136.5 154.2 92.9 42.5 9.7 92 120 A V E -fg 116 171B 3 23,-2.4 25,-2.0 -2,-0.3 2,-0.3 -0.986 7.4-176.2-135.8 143.5 90.8 42.9 12.8 93 121 A I E +fg 117 172B 0 78,-2.0 80,-2.1 -2,-0.4 2,-0.3 -0.865 8.9 159.3-136.4 158.6 91.5 42.5 16.5 94 122 A A E -f 118 0B 0 23,-1.4 25,-2.9 -2,-0.3 2,-0.3 -0.940 28.9-121.2-164.3-177.3 89.5 42.7 19.5 95 123 A E E -f 119 0B 0 78,-0.4 2,-0.3 -2,-0.3 81,-0.2 -0.834 25.5-170.3-126.5 164.9 89.7 41.5 23.2 96 124 A T E -f 120 0B 3 23,-2.1 25,-0.6 -2,-0.3 28,-0.1 -0.996 22.7-154.4-156.9 159.7 87.3 39.4 25.2 97 125 A G S S+ 0 0 15 -2,-0.3 -1,-0.1 23,-0.1 24,-0.1 0.844 100.7 0.6 -89.6 -92.4 86.3 38.0 28.7 98 126 A A S S- 0 0 36 22,-0.0 33,-0.1 33,-0.0 -2,-0.0 0.708 112.6-113.0 -60.4 -21.3 84.4 34.6 28.7 99 127 A G S > S+ 0 0 1 32,-0.1 4,-1.6 33,-0.0 36,-0.1 0.749 80.1 129.5 95.8 27.0 85.0 35.2 24.9 100 128 A Q H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 77.9 49.8 -69.5 -44.2 81.6 35.7 23.5 101 129 A H H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.806 110.9 50.4 -62.9 -34.7 82.7 38.9 21.7 102 130 A G H > S+ 0 0 0 2,-0.2 4,-3.5 3,-0.2 5,-0.3 0.875 107.4 53.5 -76.0 -37.6 85.7 37.1 20.3 103 131 A V H X S+ 0 0 25 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.992 114.6 40.9 -58.9 -55.5 83.5 34.3 19.0 104 132 A A H X S+ 0 0 3 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.920 114.8 50.8 -56.2 -48.0 81.3 36.8 17.2 105 133 A T H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.952 112.6 47.4 -57.0 -47.6 84.2 38.9 16.0 106 134 A A H X S+ 0 0 1 -4,-3.5 4,-2.9 2,-0.2 -1,-0.3 0.872 110.7 54.5 -58.3 -39.2 85.8 35.7 14.7 107 135 A T H X S+ 0 0 8 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.983 108.4 44.9 -62.7 -58.5 82.6 34.7 13.1 108 136 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.848 112.8 52.8 -62.4 -23.9 82.1 37.9 11.2 109 137 A C H X>S+ 0 0 3 -4,-2.1 5,-2.0 -5,-0.3 4,-1.6 0.904 107.6 50.2 -75.6 -42.6 85.8 37.8 10.0 110 138 A A H ><5S+ 0 0 11 -4,-2.9 3,-1.4 -5,-0.2 -2,-0.2 0.998 114.6 45.3 -53.8 -52.1 85.5 34.3 8.7 111 139 A L H 3<5S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.874 119.4 42.1 -55.7 -38.1 82.4 35.4 6.8 112 140 A L H 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.552 110.3-115.7 -92.8 -3.1 84.2 38.6 5.7 113 141 A G T <<5 + 0 0 43 -4,-1.6 2,-0.4 -3,-1.4 -3,-0.2 0.898 65.4 140.5 75.7 36.9 87.5 37.2 4.8 114 142 A L < - 0 0 17 -5,-2.0 -1,-0.2 -8,-0.1 -23,-0.2 -0.886 55.8-116.0-117.7 138.2 89.6 39.1 7.5 115 143 A D E -f 91 0B 119 -25,-1.4 -23,-2.4 -2,-0.4 2,-0.4 -0.497 38.8-158.4 -66.6 147.5 92.4 37.9 9.5 116 144 A C E -f 92 0B 6 23,-0.5 25,-2.2 -25,-0.2 2,-0.4 -0.982 18.6-177.3-132.1 133.7 91.4 38.0 13.1 117 145 A V E -fh 93 141B 10 -25,-2.0 -23,-1.4 -2,-0.4 2,-0.5 -0.991 11.0-162.1-134.8 133.6 93.3 38.1 16.3 118 146 A I E -fh 94 142B 0 23,-2.6 25,-2.7 -2,-0.4 2,-0.5 -0.943 8.5-145.6-118.8 130.5 91.7 38.1 19.6 119 147 A Y E +fh 95 143B 24 -25,-2.9 -23,-2.1 -2,-0.5 2,-0.3 -0.781 25.3 168.3 -90.4 129.9 93.2 39.1 22.9 120 148 A M E -fh 96 144B 0 23,-2.0 25,-4.2 -2,-0.5 2,-0.2 -0.995 38.8-100.0-138.9 144.6 92.1 37.2 25.9 121 149 A G E >> - h 0 145B 0 -25,-0.6 4,-3.3 -2,-0.3 3,-1.0 -0.450 31.0-122.3 -53.7 125.0 93.3 37.1 29.6 122 150 A G H 3> S+ 0 0 4 23,-2.6 4,-1.0 1,-0.2 29,-0.1 0.796 112.5 51.6 -28.7 -47.3 95.5 34.1 30.4 123 151 A I H 3> S+ 0 0 63 27,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.801 111.6 42.6 -72.7 -37.7 92.9 33.2 33.2 124 152 A D H <4 S+ 0 0 23 -3,-1.0 4,-0.4 2,-0.2 -2,-0.2 0.799 106.0 64.2 -83.7 -25.7 89.8 33.3 31.0 125 153 A T H < S+ 0 0 36 -4,-3.3 3,-0.3 1,-0.2 -2,-0.2 0.881 111.3 40.5 -46.9 -42.7 92.0 31.5 28.4 126 154 A A H < S+ 0 0 80 -4,-1.0 3,-0.4 -5,-0.3 -2,-0.2 0.873 116.6 43.3 -80.6 -40.7 91.9 28.7 31.1 127 155 A R S < S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.166 121.2 34.9 -92.4 16.7 88.3 28.8 32.5 128 156 A Q S > S+ 0 0 67 -4,-0.4 4,-0.6 -3,-0.3 3,-0.4 -0.026 71.6 153.9-163.1 35.0 86.4 29.1 29.2 129 157 A A T 4 + 0 0 55 -3,-0.4 -4,-0.1 1,-0.2 -30,-0.0 -0.031 55.4 60.4-110.9 23.2 88.2 27.2 26.6 130 158 A L T >> S+ 0 0 40 2,-0.2 4,-6.3 -2,-0.1 3,-1.1 0.725 101.9 59.1 -99.6 -42.2 86.1 25.9 23.7 131 159 A N H 3> S+ 0 0 10 -3,-0.4 4,-2.9 2,-0.3 5,-0.2 0.904 104.0 52.4 -30.1 -53.0 85.2 29.4 22.9 132 160 A V H 3X S+ 0 0 20 -4,-0.6 4,-0.8 2,-0.2 -1,-0.3 0.798 115.6 40.6 -59.4 -25.1 88.9 29.6 22.5 133 161 A A H <> S+ 0 0 16 -3,-1.1 4,-4.1 2,-0.2 5,-0.3 0.895 109.4 56.6 -92.5 -48.2 88.5 26.6 20.2 134 162 A R H X S+ 0 0 41 -4,-6.3 4,-2.3 1,-0.2 5,-0.3 0.970 110.1 48.3 -33.0 -69.2 85.4 27.9 18.6 135 163 A M H <>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 4,-0.3 0.845 113.4 45.6 -39.6 -46.5 87.5 31.0 17.7 136 164 A R H ><5S+ 0 0 165 -4,-0.8 3,-2.0 -6,-0.3 -1,-0.2 0.951 108.3 55.0 -77.2 -42.8 90.3 28.8 16.4 137 165 A L H 3<5S+ 0 0 17 -4,-4.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 108.0 52.7 -44.4 -38.3 87.9 26.6 14.4 138 166 A L T 3<5S- 0 0 7 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.529 124.7-112.1 -79.2 -6.3 86.8 30.0 12.9 139 167 A G T < 5 + 0 0 46 -3,-2.0 -23,-0.5 -4,-0.3 2,-0.4 0.865 67.3 136.5 82.2 39.9 90.4 30.6 12.1 140 168 A A < - 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0 0 3 -80,-2.1 -78,-0.4 -2,-0.4 2,-0.2 -0.970 8.9-170.2-136.8 130.9 86.2 45.9 17.2 174 202 A F + 0 0 14 -2,-0.4 7,-0.1 1,-0.1 -94,-0.1 -0.640 36.8 120.9-115.9 168.0 84.2 46.2 20.5 175 203 A G + 0 0 43 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 -0.004 37.2 132.8 170.1 -37.9 81.0 45.1 22.2 176 204 A T - 0 0 20 -81,-0.2 -1,-0.3 1,-0.2 -80,-0.0 -0.090 68.2-120.5 -20.3 112.1 82.3 43.3 25.3 177 205 A A S S+ 0 0 105 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.518 104.9 33.7 -55.5 -10.3 80.0 44.9 28.1 178 206 A A S S+ 0 0 81 2,-0.1 -1,-0.2 -26,-0.0 3,-0.1 0.773 99.0 73.7-112.4 -55.8 83.2 46.3 29.9 179 207 A G S S- 0 0 7 1,-0.1 2,-0.1 -84,-0.0 -26,-0.0 0.266 98.1 -43.8 -43.3-175.1 86.0 47.3 27.5 180 208 A P - 0 0 21 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.358 36.2-168.2 -73.2 142.5 85.8 50.5 25.4 181 209 A H + 0 0 116 -3,-0.1 -4,-0.0 1,-0.1 -2,-0.0 -0.797 24.1 158.7-116.2 71.0 82.7 51.8 23.4 182 210 A P + 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -180,-0.0 0.677 59.5 59.2 -73.4 -16.0 84.4 54.6 21.3 183 211 A F > + 0 0 16 1,-0.2 4,-1.2 -3,-0.1 3,-0.2 -0.665 49.1 156.5-118.1 80.3 81.7 54.8 18.6 184 212 A P H > S+ 0 0 70 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.838 72.9 62.9 -87.4 -17.1 78.3 55.6 19.7 185 213 A T H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.943 106.5 52.2 -52.8 -42.6 76.9 57.1 16.5 186 214 A M H > S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 101.6 53.5 -59.3 -51.6 77.5 53.5 15.2 187 215 A V H < S+ 0 0 72 -4,-1.2 4,-0.5 1,-0.2 -1,-0.2 0.860 115.0 45.7 -58.9 -29.8 75.7 51.4 17.8 188 216 A R H >< S+ 0 0 140 -4,-1.2 3,-0.5 -3,-0.2 4,-0.3 0.841 108.9 51.8 -87.8 -38.1 72.6 53.6 17.1 189 217 A D H >< S+ 0 0 6 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.730 99.3 64.2 -67.5 -27.8 72.7 53.6 13.4 190 218 A F G >< S+ 0 0 10 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.807 92.3 63.7 -78.7 -18.7 72.9 49.8 13.1 191 219 A Q G X S+ 0 0 22 -3,-0.5 3,-1.7 -4,-0.5 4,-0.5 0.679 81.6 84.1 -70.9 -12.0 69.4 49.5 14.7 192 220 A R G X> S+ 0 0 60 -3,-0.8 4,-2.0 -4,-0.3 3,-0.7 0.764 70.5 74.4 -58.3 -25.2 68.3 51.3 11.7 193 221 A I H <> S+ 0 0 7 -3,-1.5 4,-3.1 1,-0.3 5,-0.3 0.754 83.5 69.4 -63.9 -25.2 68.2 47.9 9.8 194 222 A I H <> S+ 0 0 2 -3,-1.7 4,-2.3 -4,-0.2 -1,-0.3 0.968 105.4 36.5 -57.5 -56.7 65.1 47.1 11.8 195 223 A G H <> S+ 0 0 0 30,-1.5 4,-2.8 -3,-0.7 5,-0.3 0.962 115.2 57.8 -57.3 -49.1 62.9 49.9 9.8 196 224 A M H X S+ 0 0 39 -4,-2.0 4,-1.3 29,-0.3 -2,-0.2 0.895 112.2 39.0 -42.1 -57.1 64.8 49.0 6.6 197 225 A E H X S+ 0 0 7 -4,-3.1 4,-2.8 1,-0.2 -1,-0.3 0.846 113.5 55.4 -68.3 -38.1 63.7 45.4 6.9 198 226 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.917 105.1 55.0 -63.5 -29.0 60.2 46.4 8.1 199 227 A R H X S+ 0 0 79 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.873 108.8 44.4 -78.9 -34.0 59.7 48.5 5.1 200 228 A V H >X S+ 0 0 111 -4,-1.3 4,-1.7 -5,-0.3 3,-0.8 0.955 117.3 49.1 -73.6 -40.9 60.5 45.8 2.6 201 229 A Q H 3X S+ 0 0 36 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.831 105.2 51.6 -71.3 -29.8 58.3 43.3 4.6 202 230 A I H 3X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 6,-0.8 0.672 109.1 52.4 -84.0 -15.3 55.1 45.3 5.1 203 231 A Q H - 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