==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 11-MAR-08 3CIJ . COMPND 2 MOLECULE: UPF0100 PROTEIN AF_0094; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR M.COMELLAS-BIGLER,K.HOLLENSTEIN,K.P.LOCHER . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 10.8 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 . 2 0.3 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 . 30 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.1 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 3 3 3 2 1 4 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 0 1 1 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 . 2 0 5 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 33 A V 0 0 90 0, 0.0 29,-3.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 136.3 34.0 40.6 71.3 2 34 A K E -a 30 0A 116 27,-0.2 2,-0.6 29,-0.1 29,-0.2 -0.914 360.0-159.8-105.6 113.4 30.7 38.9 71.9 3 35 A L E -a 31 0A 0 27,-2.2 29,-3.3 -2,-0.6 2,-0.6 -0.827 12.1-145.6 -92.7 120.8 28.8 40.1 74.9 4 36 A K E +a 32 0A 47 -2,-0.6 49,-2.3 27,-0.2 50,-1.8 -0.790 19.9 178.9 -97.9 117.4 26.2 37.6 76.1 5 37 A V E -ab 33 54A 0 27,-2.8 29,-1.9 -2,-0.6 2,-0.5 -0.966 6.9-170.8-122.2 112.7 23.0 39.1 77.5 6 38 A F E +ab 34 55A 1 48,-2.5 50,-2.1 -2,-0.5 2,-0.3 -0.911 22.1 170.1-104.7 129.8 20.2 36.8 78.6 7 39 A H E -ab 35 56A 3 27,-2.7 29,-2.1 -2,-0.5 50,-0.2 -0.963 38.6 -84.1-145.4 155.2 16.9 38.5 79.4 8 40 A A E > -a 36 0A 0 48,-2.0 3,-1.9 -2,-0.3 29,-0.2 -0.147 45.7-116.5 -43.2 140.5 13.3 38.4 80.3 9 41 A G G > S+ 0 0 0 27,-0.5 3,-2.2 1,-0.3 4,-0.2 0.879 113.6 61.6 -54.8 -40.0 11.0 38.1 77.2 10 42 A S G 3 S+ 0 0 0 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.652 95.3 63.1 -67.5 -10.3 9.4 41.4 77.9 11 43 A L G <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 -1,-0.3 0.347 72.9 102.9 -89.0 6.4 12.8 43.1 77.5 12 44 A T H <> S+ 0 0 37 -3,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.935 83.1 41.0 -57.2 -49.3 13.1 42.1 73.9 13 45 A E H >> S+ 0 0 45 -3,-0.3 4,-1.3 -4,-0.2 3,-0.6 0.954 116.1 48.7 -69.5 -46.2 12.2 45.5 72.4 14 46 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.896 107.3 58.1 -54.5 -39.3 14.3 47.5 74.9 15 47 A M H 3X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.822 98.1 58.4 -65.4 -29.5 17.2 45.1 74.2 16 48 A K H < + 0 0 34 -4,-1.9 3,-1.8 -5,-0.1 -1,-0.2 -0.784 65.4 177.6-128.7 82.2 31.7 50.1 71.4 27 59 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.703 78.6 58.6 -67.4 -20.5 32.3 49.2 67.7 28 60 A N T 3 S+ 0 0 112 2,-0.0 2,-0.4 -26,-0.0 -5,-0.1 0.376 94.0 88.5 -87.9 5.3 34.4 46.1 68.4 29 61 A V < - 0 0 8 -3,-1.8 2,-0.5 -6,-0.2 -27,-0.2 -0.860 54.9-164.5-109.6 134.7 31.4 44.5 70.3 30 62 A E E -a 2 0A 88 -29,-3.0 -27,-2.2 -2,-0.4 2,-0.6 -0.978 18.5-145.4-110.4 117.8 28.5 42.4 69.2 31 63 A V E -a 3 0A 2 -2,-0.5 2,-0.7 -29,-0.2 -27,-0.2 -0.741 11.9-161.2 -82.0 118.8 25.8 42.2 71.8 32 64 A Q E -a 4 0A 64 -29,-3.3 -27,-2.8 -2,-0.6 2,-0.3 -0.902 12.7-170.6-106.2 110.8 24.2 38.7 71.6 33 65 A T E -a 5 0A 54 -2,-0.7 2,-0.4 -29,-0.2 -27,-0.2 -0.760 10.6-171.2-105.8 146.3 20.8 38.7 73.2 34 66 A E E -a 6 0A 38 -29,-1.9 -27,-2.7 -2,-0.3 2,-0.4 -0.989 11.8-147.3-137.3 131.8 18.5 35.8 74.1 35 67 A A E +a 7 0A 20 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.811 32.0 138.5-100.4 133.9 14.9 36.1 75.3 36 68 A A E -a 8 0A 0 -29,-2.1 -27,-0.5 -2,-0.4 5,-0.1 -0.955 61.8 -72.3-160.7 159.1 13.3 33.6 77.7 37 69 A G > - 0 0 0 -2,-0.3 4,-3.0 -29,-0.2 3,-0.3 -0.239 58.1-109.4 -52.3 144.0 11.0 33.8 80.7 38 70 A S H > S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 83,-0.2 0.814 116.7 46.6 -59.0 -36.4 13.1 35.1 83.6 39 71 A A H > S+ 0 0 1 81,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.904 115.3 47.1 -70.4 -38.0 13.3 31.9 85.6 40 72 A A H > S+ 0 0 6 80,-1.7 4,-1.0 -3,-0.3 -2,-0.2 0.880 109.9 55.5 -65.0 -36.6 14.2 29.9 82.4 41 73 A T H >X S+ 0 0 0 -4,-3.0 3,-0.7 79,-0.4 4,-0.6 0.938 109.4 45.3 -57.7 -48.9 16.7 32.7 81.6 42 74 A I H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-1.5 0.915 105.7 60.5 -66.4 -37.4 18.4 32.2 85.0 43 75 A R H 3X>S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.3 5,-2.0 0.742 88.9 72.2 -63.0 -22.4 18.4 28.4 84.6 44 76 A K H <<5S+ 0 0 0 -4,-1.0 6,-2.6 -3,-0.7 -1,-0.3 0.899 112.8 28.6 -53.6 -38.7 20.5 28.8 81.5 45 77 A V H <<5S+ 0 0 5 -3,-1.5 4,-0.4 -4,-0.6 -2,-0.2 0.866 125.9 43.8 -87.3 -44.7 23.3 29.7 83.9 46 78 A T H <5S+ 0 0 32 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.747 135.5 8.0 -82.7 -18.5 22.3 27.8 87.0 47 79 A E T <5S+ 0 0 133 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.662 122.8 54.6-128.1 -30.4 21.4 24.5 85.3 48 80 A L S S- 0 0 9 192,-0.1 3,-1.9 195,-0.1 4,-0.4 -0.933 75.2-156.8-132.6 106.1 11.2 40.2 88.7 60 92 A Y T >> S+ 0 0 70 192,-2.4 3,-1.3 -2,-0.4 4,-0.7 0.784 86.8 68.2 -54.6 -30.9 14.4 41.4 90.4 61 93 A T H 3> S+ 0 0 12 191,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.717 83.5 71.8 -67.8 -19.9 13.9 39.0 93.3 62 94 A L H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 5,-0.3 0.791 90.2 60.4 -66.4 -26.9 14.6 35.9 91.1 63 95 A I H <>>S+ 0 0 0 -3,-1.3 4,-2.6 -4,-0.4 5,-0.7 0.980 110.8 38.9 -63.6 -52.9 18.3 36.8 90.9 64 96 A Q H X5S+ 0 0 127 -4,-0.7 4,-1.3 1,-0.2 -2,-0.2 0.942 118.7 49.3 -57.5 -48.4 18.8 36.5 94.7 65 97 A K H <5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 125.4 24.1 -62.5 -40.2 16.5 33.6 95.0 66 98 A M H <5S+ 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.639 129.5 34.4-103.1 -18.9 18.0 31.5 92.2 67 99 A M H X>S+ 0 0 2 -4,-2.6 4,-2.8 -5,-0.3 5,-1.2 0.664 78.2 135.2-115.9 -22.4 21.6 32.7 91.9 68 100 A Y T < - 0 0 52 111,-0.6 3,-1.5 -2,-0.3 6,-0.1 -0.652 37.7-105.0-105.7 166.8 -7.0 42.4 68.8 89 121 A N T 3 S+ 0 0 121 1,-0.3 5,-0.1 -2,-0.2 6,-0.1 0.846 123.4 48.8 -56.1 -34.8 -9.7 44.2 67.0 90 122 A D T 3 S+ 0 0 135 4,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.426 81.9 121.3 -87.8 -3.4 -11.0 40.9 65.7 91 123 A S S X S- 0 0 5 -3,-1.5 3,-2.2 1,-0.1 4,-0.3 -0.325 81.2 -87.7 -59.4 147.5 -11.0 39.1 69.1 92 124 A R T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.370 111.7 2.4 -63.2 131.0 -14.4 37.8 70.1 93 125 A Y T >> S+ 0 0 75 -3,-0.1 4,-2.0 -2,-0.1 3,-1.9 0.597 84.7 141.6 67.4 20.0 -16.4 40.5 71.9 94 126 A A T <4 S+ 0 0 9 -3,-2.2 -2,-0.1 1,-0.3 -4,-0.1 0.838 70.2 54.4 -53.4 -35.3 -13.5 43.0 71.5 95 127 A D T 34 S+ 0 0 167 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.599 114.3 41.2 -78.3 -10.5 -16.1 45.8 70.9 96 128 A E T <4 S+ 0 0 84 -3,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.694 88.0 102.1-106.3 -28.4 -17.8 44.9 74.2 97 129 A I < + 0 0 13 -4,-2.0 2,-0.3 3,-0.1 5,-0.0 -0.266 40.0 151.2 -73.4 145.5 -15.1 44.3 76.7 98 130 A N > - 0 0 66 118,-0.1 4,-0.9 -2,-0.0 3,-0.3 -0.902 60.5 -79.1-153.6-178.3 -14.1 47.0 79.2 99 131 A S T 4 S+ 0 0 42 -2,-0.3 4,-0.1 1,-0.2 -2,-0.1 0.648 124.5 50.0 -66.6 -13.3 -12.6 47.3 82.7 100 132 A Q T 4 S+ 0 0 145 1,-0.1 -1,-0.2 2,-0.1 3,-0.2 0.822 119.8 29.7 -93.3 -31.8 -16.0 46.5 84.3 101 133 A N T > S+ 0 0 34 -3,-0.3 4,-2.4 -5,-0.1 3,-0.5 0.246 80.4 114.3-111.8 10.4 -16.9 43.3 82.4 102 134 A W H X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.3 -1,-0.1 0.848 80.3 45.4 -57.6 -41.6 -13.6 41.7 81.5 103 135 A Y H > S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.817 110.6 54.6 -76.8 -25.8 -13.9 38.6 83.7 104 136 A E H 4 S+ 0 0 89 -3,-0.5 4,-0.4 2,-0.2 3,-0.3 0.911 108.9 48.9 -69.3 -38.6 -17.5 38.0 82.5 105 137 A I H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.940 108.8 52.8 -62.8 -44.4 -16.3 38.1 78.9 106 138 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 102.6 59.9 -64.4 -24.5 -13.5 35.6 79.7 107 139 A K T 3< S+ 0 0 60 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.588 79.0 110.2 -75.3 -13.8 -16.0 33.2 81.3 108 140 A R S X S- 0 0 68 -3,-1.8 3,-1.9 -4,-0.4 -3,-0.0 -0.397 74.9-128.7 -69.0 142.6 -18.0 32.9 78.0 109 141 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.683 105.9 55.2 -68.9 -16.8 -17.6 29.4 76.4 110 142 A D T 3 S+ 0 0 60 2,-0.0 2,-0.4 69,-0.0 -18,-0.1 0.235 91.9 91.0 -96.0 11.5 -16.7 30.9 73.0 111 143 A V < - 0 0 0 -3,-1.9 2,-0.4 -5,-0.1 -18,-0.0 -0.934 55.9-167.3-114.3 130.3 -13.8 32.9 74.4 112 144 A R + 0 0 69 -2,-0.4 87,-2.0 -20,-0.0 88,-1.7 -0.921 9.4 179.5-115.1 139.5 -10.2 31.6 74.7 113 145 A F E -gh 180 200B 0 66,-2.3 68,-1.3 -2,-0.4 2,-0.3 -0.939 10.1-148.5-140.7 162.2 -7.4 33.2 76.7 114 146 A G E +gh 181 201B 0 86,-1.6 88,-2.3 -2,-0.3 2,-0.3 -0.908 14.3 171.6-130.5 159.2 -3.7 32.7 77.5 115 147 A F E -g 182 0B 0 66,-1.2 68,-0.7 -2,-0.3 2,-0.1 -0.948 35.3-103.1-152.4 164.0 -1.1 33.2 80.1 116 148 A S E -g 183 0B 0 -2,-0.3 68,-0.2 66,-0.2 69,-0.1 -0.410 45.1 -82.0 -92.8 171.1 2.5 32.0 80.5 117 149 A N >> - 0 0 11 66,-2.4 4,-2.1 1,-0.2 3,-1.9 -0.565 30.9-150.6 -73.5 113.9 4.0 29.3 82.6 118 150 A P T 34 S+ 0 0 1 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 0.780 94.9 62.0 -54.2 -31.0 4.5 30.6 86.2 119 151 A N T 34 S+ 0 0 8 1,-0.2 123,-0.1 49,-0.1 65,-0.1 0.767 118.8 25.5 -66.3 -25.0 7.4 28.2 86.6 120 152 A D T <4 S+ 0 0 19 -3,-1.9 -80,-1.7 1,-0.2 -81,-1.5 0.667 122.7 40.6-105.5 -26.0 9.3 29.9 83.8 121 153 A D >X - 0 0 0 -4,-2.1 4,-1.5 -84,-0.2 3,-1.1 -0.980 56.6-145.5-143.6 120.7 8.1 33.4 83.6 122 154 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.849 102.6 64.1 -51.2 -37.3 7.1 36.2 86.1 123 155 A C H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.897 102.8 50.6 -58.3 -33.6 4.4 37.4 83.7 124 156 A G H <> S+ 0 0 0 -3,-1.1 4,-2.0 -7,-0.3 -1,-0.2 0.942 112.7 41.2 -70.1 -49.0 2.7 34.0 84.2 125 157 A Y H X S+ 0 0 3 -4,-1.5 4,-2.5 -8,-0.2 -1,-0.2 0.902 116.0 52.9 -65.1 -34.4 2.7 34.0 88.0 126 158 A R H X S+ 0 0 8 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.862 105.9 53.4 -67.0 -34.2 1.8 37.7 88.0 127 159 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.936 111.6 44.3 -64.3 -45.4 -1.2 36.9 85.7 128 160 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.902 112.1 53.9 -65.4 -39.1 -2.5 34.3 88.1 129 161 A M H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.918 108.3 49.9 -56.1 -45.9 -1.8 36.6 91.0 130 162 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.906 109.5 50.2 -63.0 -43.1 -3.9 39.4 89.3 131 163 A I H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 13,-0.2 0.912 113.6 45.5 -64.8 -39.9 -6.8 37.1 88.7 132 164 A Q H >X S+ 0 0 5 -4,-2.2 3,-1.0 1,-0.2 4,-0.8 0.920 109.6 54.4 -69.4 -39.5 -6.8 35.9 92.3 133 165 A L H >X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.3 3,-0.6 0.841 98.6 65.9 -62.0 -29.1 -6.5 39.5 93.6 134 166 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 6,-0.3 0.854 91.9 60.8 -58.4 -36.1 -9.6 40.2 91.5 135 167 A E H <<>S+ 0 0 17 -3,-1.0 5,-2.0 -4,-0.8 4,-0.3 0.882 109.7 41.9 -57.6 -37.1 -11.6 38.0 93.8 136 168 A L H X<5S+ 0 0 71 -4,-0.8 3,-0.6 -3,-0.6 -2,-0.2 0.931 116.4 47.0 -74.1 -47.9 -10.7 40.3 96.7 137 169 A Y H 3<5S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.913 121.3 35.6 -62.5 -46.0 -11.2 43.5 94.8 138 170 A Y T 3<5S- 0 0 50 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.446 104.5-127.7 -86.5 -1.9 -14.6 42.6 93.2 139 171 A N T < 5 + 0 0 149 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.935 68.4 130.6 53.2 50.5 -15.6 40.7 96.4 140 172 A D > < - 0 0 34 -5,-2.0 3,-1.3 -6,-0.3 -1,-0.2 -0.896 43.8-166.9-139.8 100.2 -16.3 37.7 94.1 141 173 A P T 3 S+ 0 0 95 0, 0.0 4,-0.2 0, 0.0 -6,-0.1 0.314 80.4 65.0 -78.8 11.4 -14.8 34.3 95.2 142 174 A T T 3> S+ 0 0 48 2,-0.1 4,-2.9 3,-0.1 5,-0.3 0.458 72.7 88.9-107.3 -3.5 -15.6 32.6 91.9 143 175 A I H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 5,-0.3 0.962 97.9 33.3 -66.2 -51.9 -13.3 34.6 89.4 144 176 A F H >>S+ 0 0 3 -13,-0.2 4,-2.5 1,-0.2 5,-2.3 0.908 119.1 56.2 -65.5 -41.4 -10.2 32.5 89.7 145 177 A D H 4>S+ 0 0 51 -4,-0.2 5,-2.2 3,-0.2 -2,-0.2 0.921 114.5 36.3 -53.6 -49.8 -12.3 29.4 90.3 146 178 A E H <5S+ 0 0 81 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.869 123.8 40.0 -78.5 -35.7 -14.2 29.8 87.0 147 179 A L H <5S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.919 135.2 1.9 -81.2 -43.9 -11.5 31.2 84.8 148 180 A V T ><5S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.3 6,-0.3 0.821 122.4 53.2-114.5 -51.8 -8.5 29.1 85.9 149 181 A A G > S-J 162 0D 128 3,-2.6 3,-2.1 -2,-0.4 -2,-0.0 -0.842 74.6 -33.5-149.5 112.1 -6.4 31.3 104.8 160 192 A N T 3 S- 0 0 153 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.815 125.7 -40.7 47.0 45.7 -7.7 34.4 106.5 161 193 A G T 3 S+ 0 0 28 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.387 118.0 103.6 91.4 -5.1 -7.5 36.6 103.4 162 194 A S E < -J 159 0D 56 -3,-2.1 -3,-2.6 74,-0.0 2,-0.4 -0.862 53.4-155.6-110.2 149.8 -4.2 35.3 102.1 163 195 A Y E -Jk 158 236D 30 72,-2.8 74,-1.7 -2,-0.3 2,-0.4 -0.961 7.9-168.8-129.9 140.9 -3.9 32.9 99.1 164 196 A V E -Jk 157 237D 45 -7,-2.2 -7,-2.7 -2,-0.4 2,-0.5 -0.997 4.4-164.5-132.8 130.0 -1.2 30.4 98.1 165 197 A L E -Jk 156 238D 0 72,-2.3 74,-3.1 -2,-0.4 2,-0.7 -0.972 9.0-156.4-110.3 122.1 -0.9 28.6 94.7 166 198 A R E - k 0 239D 198 -11,-0.6 -11,-0.3 -2,-0.5 74,-0.2 -0.882 19.9-136.7 -98.5 113.6 1.5 25.6 94.7 167 199 A M - 0 0 17 72,-3.0 76,-0.1 -2,-0.7 2,-0.1 -0.492 6.3-133.0 -70.0 136.9 2.7 25.0 91.2 168 200 A P - 0 0 24 0, 0.0 73,-0.3 0, 0.0 5,-0.1 -0.407 45.5 -83.6 -64.7 159.7 2.9 21.5 89.7 169 201 A S >> - 0 0 39 72,-0.1 3,-1.1 1,-0.1 4,-0.7 -0.282 47.7-104.6 -56.7 155.8 6.1 20.8 87.9 170 202 A S G >4 S+ 0 0 37 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.902 122.6 53.4 -58.9 -38.2 5.9 22.0 84.3 171 203 A E G 34 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 298,-0.0 0.793 109.5 50.1 -63.8 -28.0 5.4 18.5 82.9 172 204 A R G <4 S+ 0 0 184 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.456 79.8 117.7 -92.9 -2.3 2.5 18.0 85.3 173 205 A I << - 0 0 13 -3,-1.2 2,-0.4 -4,-0.7 -6,-0.0 -0.477 49.3-160.8 -65.0 135.1 0.6 21.2 84.5 174 206 A E - 0 0 131 -2,-0.2 -21,-1.5 2,-0.0 2,-0.4 -0.989 10.0-177.6-119.7 130.2 -2.8 20.3 83.0 175 207 A I B -I 152 0C 48 -2,-0.4 2,-1.0 -23,-0.2 -23,-0.3 -0.969 33.0-120.5-128.3 141.0 -4.8 22.8 80.9 176 208 A N >> - 0 0 60 -25,-2.9 4,-2.5 -2,-0.4 3,-2.1 -0.742 25.1-159.4 -78.1 102.9 -8.2 22.6 79.3 177 209 A K T 34 S+ 0 0 167 -2,-1.0 -1,-0.2 1,-0.3 -26,-0.0 0.615 84.8 67.4 -68.0 -13.5 -7.2 23.2 75.7 178 210 A S T 34 S+ 0 0 72 1,-0.1 -1,-0.3 -66,-0.0 3,-0.1 0.662 119.4 18.2 -76.8 -14.7 -10.8 24.3 74.7 179 211 A K T <4 S+ 0 0 16 -3,-2.1 -66,-2.3 1,-0.3 2,-0.3 0.694 122.8 36.0-121.7 -40.7 -10.4 27.4 76.9 180 212 A I E < -g 113 0B 2 -4,-2.5 2,-0.4 -68,-0.2 -1,-0.3 -0.920 46.9-167.5-127.6 147.6 -6.7 28.2 77.6 181 213 A M E -g 114 0B 30 -68,-1.3 -66,-1.2 -2,-0.3 2,-0.3 -0.989 13.5-166.6-124.6 142.4 -3.3 28.0 76.0 182 214 A I E -g 115 0B 35 -2,-0.4 2,-0.3 -68,-0.2 -66,-0.2 -0.899 3.8-172.1-121.4 155.8 -0.1 28.5 77.9 183 215 A R E -g 116 0B 42 -68,-0.7 -66,-2.4 -2,-0.3 6,-0.1 -0.938 38.3-108.9-137.1 161.0 3.5 29.0 76.7 184 216 A S S S+ 0 0 5 -2,-0.3 2,-0.4 -68,-0.2 -64,-0.2 0.910 104.7 24.7 -58.6 -43.7 6.8 29.1 78.5 185 217 A M S > S- 0 0 16 -69,-0.1 3,-1.6 1,-0.1 4,-0.5 -0.930 78.2-123.0-128.6 151.7 7.1 32.9 78.1 186 218 A E T >> S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.3 4,-0.6 0.818 106.4 67.1 -57.2 -33.1 4.5 35.6 77.6 187 219 A M H >> S+ 0 0 17 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.798 92.6 61.5 -63.6 -25.6 6.1 36.7 74.3 188 220 A E H <> S+ 0 0 9 -3,-1.6 4,-0.9 1,-0.2 3,-0.5 0.754 92.1 66.1 -70.1 -22.8 5.1 33.4 72.7 189 221 A L H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.5 -1,-0.2 0.779 85.8 71.5 -68.4 -25.4 1.4 34.3 73.4 190 222 A I H S+ 0 0 6 -4,-0.9 5,-1.6 2,-0.2 6,-1.4 0.848 111.5 44.7 -69.9 -36.3 -1.2 32.8 69.3 193 225 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.3 4,-0.2 -2,-0.2 0.929 112.9 52.4 -72.0 -41.4 -3.3 36.0 69.5 194 226 A E H 3<5S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.851 110.5 48.0 -62.5 -32.1 -2.0 37.1 66.0 195 227 A S T 3<5S- 0 0 60 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.554 116.3-113.6 -85.0 -4.7 -3.0 33.7 64.5 196 228 A G T < 5S+ 0 0 41 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.543 84.6 120.3 83.1 6.5 -6.5 33.8 66.1 197 229 A E S -E 83 0B 0 -2,-0.3 4,-2.3 -121,-0.2 3,-0.2 -0.447 37.4-125.7 -66.5 145.0 2.5 43.5 80.4 205 237 A K H > S+ 0 0 45 -123,-2.7 4,-2.4 1,-0.2 5,-0.2 0.871 109.6 58.0 -55.6 -40.1 1.2 46.9 79.3 206 238 A S H > S+ 0 0 0 -124,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 108.5 44.4 -60.8 -43.5 4.6 47.7 77.7 207 239 A V H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 6,-0.3 0.898 110.3 54.6 -69.9 -40.5 4.4 44.7 75.5 208 240 A A H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-0.4 0.945 113.1 43.5 -56.4 -46.2 0.8 45.2 74.5 209 241 A K H ><5S+ 0 0 111 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.919 111.1 53.7 -67.4 -42.8 1.7 48.8 73.4 210 242 A Q H 3<5S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 114.6 41.5 -57.5 -37.8 4.9 47.7 71.6 211 243 A H T 3<5S- 0 0 64 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.310 113.8-114.0-100.5 7.1 3.0 45.1 69.5 212 244 A G T < 5 + 0 0 64 -3,-1.1 -3,-0.2 -4,-0.4 2,-0.2 0.728 60.7 152.5 74.8 21.6 -0.1 47.3 68.9 213 245 A F < - 0 0 20 -5,-2.3 -1,-0.2 -6,-0.3 -125,-0.2 -0.529 45.8-120.6 -80.3 149.3 -2.6 45.3 70.8 214 246 A N E -F 87 0B 54 -127,-2.2 -127,-2.3 -2,-0.2 2,-0.3 -0.493 38.7-171.3 -68.7 158.6 -5.8 46.7 72.4 215 247 A F E -F 86 0B 56 -129,-0.3 2,-0.5 -2,-0.2 -129,-0.2 -0.994 26.8-135.3-155.2 152.4 -5.9 46.2 76.1 216 248 A V E -F 85 0B 6 -131,-2.7 -131,-2.1 -2,-0.3 2,-0.4 -0.913 28.4-132.0 -95.7 128.3 -8.1 46.5 79.2 217 249 A E E -F 84 0B 87 -2,-0.5 -133,-0.1 -133,-0.2 3,-0.1 -0.702 20.4-144.2 -78.7 132.5 -6.5 48.1 82.2 218 250 A L - 0 0 6 -135,-0.6 5,-0.1 -2,-0.4 -119,-0.1 -0.556 38.9 -73.5 -88.0 157.4 -7.2 46.0 85.3 219 251 A P >> - 0 0 19 0, 0.0 3,-2.5 0, 0.0 4,-1.5 -0.214 35.9-125.5 -51.9 142.0 -7.7 47.8 88.7 220 252 A V T 34 S+ 0 0 46 1,-0.3 6,-0.4 2,-0.2 4,-0.4 0.788 110.6 68.5 -57.5 -25.4 -4.5 49.2 90.2 221 253 A E T 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 -84,-0.1 0.603 116.1 21.5 -69.7 -11.4 -5.5 47.1 93.3 222 254 A I T <4 S+ 0 0 0 -3,-2.5 -2,-0.2 -139,-0.1 -1,-0.2 0.489 103.1 81.0-128.4 -9.9 -4.8 43.9 91.3 223 255 A D S < S- 0 0 4 -4,-1.5 -140,-2.4 -5,-0.1 -3,-0.1 0.394 85.4-130.2 -97.3 5.6 -2.5 44.7 88.4 224 256 A L S S+ 0 0 0 -4,-0.4 27,-2.8 -142,-0.2 -143,-0.2 0.610 73.3 114.8 66.5 21.0 0.8 44.7 90.4 225 257 A S + 0 0 21 -5,-0.3 -144,-0.2 25,-0.2 -1,-0.1 0.821 54.4 64.2 -92.4 -31.4 1.9 48.1 89.0 226 258 A S > - 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