==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, TRANPORT PROTEIN 26-JUN-13 4LEP . COMPND 2 MOLECULE: PROTON:OLIGOPEPTIDE SYMPORTER POT FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR F.GUETTOU,E.M.QUISTGAARD,L.TRESAUGUES,P.MOBERG,C.JEGERSCHOLD . 907 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 82.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 585 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 4 0 1 3 0 0 2 0 0 0 1 3 2 5 3 0 0 0 2 4 0 0 0 2 2 0 4 RESIDUES PER ALPHA HELIX . 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 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 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 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 9 A S > 0 0 113 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -16.2 42.0 44.5 216.6 2 10 A K H > + 0 0 107 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.853 360.0 59.1 -64.7 -36.2 38.7 42.7 216.9 3 11 A T H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 105.1 46.5 -61.0 -46.5 39.8 41.1 220.2 4 12 A H H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 111.7 51.7 -63.8 -43.7 40.4 44.5 222.0 5 13 A S H X S+ 0 0 11 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.831 115.2 41.8 -64.7 -36.4 37.0 45.8 220.8 6 14 A F H X S+ 0 0 27 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.860 108.9 59.7 -77.2 -38.2 35.2 42.7 222.1 7 15 A M H X S+ 0 0 109 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.903 107.3 45.9 -56.3 -46.4 37.2 42.6 225.4 8 16 A T H X S+ 0 0 26 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.974 112.5 47.2 -63.9 -53.3 36.1 46.0 226.5 9 17 A V H X S+ 0 0 3 -4,-1.2 4,-2.2 1,-0.3 -2,-0.2 0.871 113.6 51.6 -57.3 -33.5 32.3 45.6 225.6 10 18 A S H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.884 107.7 50.9 -71.3 -38.5 32.5 42.3 227.4 11 19 A L H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.883 109.5 49.9 -68.2 -36.7 34.0 43.8 230.5 12 20 A I H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.932 110.9 49.2 -65.7 -43.9 31.4 46.5 230.7 13 21 A E H X S+ 0 0 9 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.912 108.1 57.0 -58.7 -40.4 28.6 43.9 230.4 14 22 A L H X S+ 0 0 27 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.913 112.3 38.8 -55.4 -48.7 30.4 41.9 233.2 15 23 A W H X S+ 0 0 59 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.817 112.8 57.4 -77.7 -25.1 30.3 44.8 235.6 16 24 A E H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.951 111.7 40.5 -69.4 -48.2 26.8 45.8 234.6 17 25 A R H X S+ 0 0 12 -4,-2.7 4,-2.9 2,-0.2 5,-0.5 0.732 107.6 64.7 -72.3 -24.3 25.3 42.4 235.3 18 26 A F H X S+ 0 0 15 -4,-1.2 4,-2.0 -5,-0.3 -2,-0.2 0.985 110.5 37.3 -57.1 -53.8 27.5 42.3 238.5 19 27 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 158,-0.2 -2,-0.2 0.918 117.8 52.2 -65.2 -38.6 25.4 45.3 239.7 20 28 A Y H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.932 116.7 34.7 -66.6 -50.7 22.2 44.0 238.3 21 29 A Y H X S+ 0 0 55 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.803 110.6 63.5 -77.1 -25.5 22.2 40.5 239.7 22 30 A G H X S+ 0 0 0 -4,-2.0 4,-0.5 -5,-0.5 -1,-0.2 0.877 112.5 38.7 -62.8 -33.1 23.8 41.7 242.9 23 31 A M H >X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 3,-0.9 0.937 111.3 57.7 -78.1 -49.9 20.6 43.7 243.2 24 32 A Q H 3X S+ 0 0 14 -4,-2.6 4,-0.7 1,-0.3 -2,-0.2 0.879 102.6 53.5 -48.8 -48.9 18.2 40.9 241.9 25 33 A A H 3< S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 -1,-0.3 0.861 119.6 33.6 -57.2 -34.5 19.3 38.4 244.5 26 34 A L H >S+ 0 0 5 -4,-0.4 4,-4.0 1,-0.2 5,-0.6 0.841 109.0 55.9 -64.4 -35.0 14.6 39.6 250.5 30 38 A F H X>S+ 0 0 7 -4,-2.2 5,-3.1 2,-0.2 4,-0.5 0.885 107.2 47.6 -65.9 -41.1 14.8 43.4 251.0 31 39 A M H <5S+ 0 0 0 -4,-1.9 6,-2.1 3,-0.2 -1,-0.2 0.859 121.6 37.6 -71.1 -31.8 11.1 43.8 250.5 32 40 A V H <5S+ 0 0 29 -4,-1.7 -2,-0.2 4,-0.2 -3,-0.2 0.910 128.4 26.5 -85.1 -44.5 10.4 40.9 252.9 33 41 A Q H <5S+ 0 0 92 -4,-4.0 -3,-0.2 -5,-0.1 -2,-0.1 0.906 133.6 26.8 -86.9 -49.9 13.1 41.4 255.6 34 42 A R T < - 0 0 61 1,-0.1 4,-3.5 378,-0.0 3,-0.3 -0.679 26.8-112.2 -83.5 148.5 4.2 39.9 252.3 39 47 A D H > S+ 0 0 5 378,-0.5 4,-2.2 -2,-0.3 5,-0.2 0.740 116.3 62.6 -53.0 -26.1 5.5 37.2 249.9 40 48 A S H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.997 115.7 28.3 -62.3 -58.5 2.3 37.6 247.8 41 49 A R H > S+ 0 0 62 -3,-0.3 4,-3.2 2,-0.2 5,-0.3 0.863 117.2 59.9 -71.6 -41.2 3.0 41.3 247.0 42 50 A A H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 5,-0.2 0.944 109.8 44.0 -53.1 -46.9 6.8 40.9 247.2 43 51 A N H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.940 115.6 47.4 -61.0 -49.8 6.6 38.3 244.4 44 52 A L H X S+ 0 0 19 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.913 112.8 47.6 -60.9 -44.9 4.1 40.3 242.3 45 53 A V H X S+ 0 0 4 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.937 115.9 43.9 -63.9 -48.2 6.1 43.6 242.6 46 54 A W H X S+ 0 0 5 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.897 113.7 50.8 -64.5 -39.4 9.4 42.0 241.7 47 55 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.830 109.3 49.9 -68.6 -31.4 7.8 40.0 238.9 48 56 A A H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.864 110.7 51.6 -71.5 -35.9 6.2 43.1 237.3 49 57 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.886 109.9 49.1 -64.5 -39.6 9.6 44.8 237.6 50 58 A A H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.883 108.2 53.6 -68.0 -36.6 11.1 41.8 235.8 51 59 A A H X S+ 0 0 12 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.941 111.9 44.5 -62.7 -47.4 8.4 41.9 233.1 52 60 A L H X S+ 0 0 23 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.901 112.2 53.3 -62.5 -41.0 9.2 45.6 232.4 53 61 A I H < S+ 0 0 3 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.903 110.6 45.5 -64.2 -41.4 12.9 44.8 232.5 54 62 A Y H < S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 117.0 44.7 -65.9 -40.4 12.7 42.1 229.9 55 63 A V H >< S+ 0 0 44 -4,-2.2 3,-0.9 -5,-0.2 4,-0.4 0.537 95.0 84.4 -84.1 -9.2 10.4 44.2 227.7 56 64 A S T >X S+ 0 0 20 -4,-1.2 4,-1.3 -3,-0.3 3,-0.8 0.850 75.9 62.2 -60.4 -47.7 12.6 47.3 228.1 57 65 A P H 3> S+ 0 0 17 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.543 88.8 77.8 -63.4 -6.0 15.3 46.8 225.4 58 66 A A H <> S+ 0 0 52 -3,-0.9 4,-0.9 2,-0.2 -2,-0.2 0.958 103.8 29.9 -64.0 -52.0 12.5 46.9 222.8 59 67 A I H X> S+ 0 0 109 -3,-0.8 4,-1.4 -4,-0.4 3,-0.5 0.958 122.1 49.1 -73.6 -54.2 12.2 50.7 222.9 60 68 A G H 3X S+ 0 0 6 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.658 101.6 64.0 -59.8 -24.3 15.8 51.5 223.7 61 69 A G H 3X S+ 0 0 9 -4,-1.0 4,-1.5 -5,-0.2 -1,-0.2 0.942 106.8 43.1 -65.5 -44.7 17.2 49.2 221.0 62 70 A W H S+ 0 0 143 -4,-0.9 4,-2.4 -3,-0.5 5,-0.7 0.819 109.9 59.9 -68.9 -30.8 15.6 51.4 218.4 63 71 A V H X>S+ 0 0 9 -4,-1.4 5,-3.4 3,-0.2 4,-0.9 0.877 109.5 39.9 -62.2 -48.2 16.8 54.5 220.3 64 72 A G H <5S+ 0 0 0 -4,-1.8 134,-0.5 3,-0.2 -1,-0.2 0.789 121.2 44.6 -72.6 -29.3 20.4 53.7 220.0 65 73 A D H <5S+ 0 0 40 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.806 134.1 9.6 -86.4 -28.5 20.1 52.4 216.5 66 74 A K H <5S+ 0 0 139 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.662 130.7 37.0-125.2 -30.6 17.9 55.2 215.0 67 75 A I T < - 0 0 3 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.555 32.6-137.4 -82.6 150.7 24.2 56.7 219.1 70 78 A T H > S+ 0 0 1 2,-0.2 4,-2.0 -2,-0.2 -1,-0.1 0.966 111.7 36.1 -67.9 -50.1 24.6 52.9 219.8 71 79 A K H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 121.1 50.2 -64.8 -44.3 27.7 53.4 221.9 72 80 A R H > S+ 0 0 160 126,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.855 111.0 46.8 -61.8 -42.7 26.2 56.7 223.3 73 81 A T H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.878 112.4 51.9 -68.6 -37.5 22.9 55.2 224.2 74 82 A M H X S+ 0 0 6 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.976 111.5 45.5 -60.4 -51.8 24.8 52.3 225.8 75 83 A L H X S+ 0 0 49 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.871 114.0 50.5 -59.3 -38.7 26.9 54.7 227.9 76 84 A L H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.918 108.7 49.8 -66.4 -46.4 23.8 56.7 228.8 77 85 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 34,-0.4 35,-0.2 0.878 108.8 54.9 -60.6 -37.3 21.8 53.7 230.0 78 86 A A H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.862 108.3 47.2 -66.2 -38.6 24.8 52.7 232.1 79 87 A G H X S+ 0 0 30 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.892 111.4 51.6 -67.6 -37.3 24.8 56.0 233.8 80 88 A I H X S+ 0 0 28 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.896 110.4 48.4 -65.4 -38.6 21.1 55.8 234.4 81 89 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.935 108.8 55.3 -65.8 -41.9 21.5 52.4 235.9 82 90 A S H X S+ 0 0 13 -4,-2.1 4,-1.6 1,-0.3 -2,-0.2 0.919 109.7 44.3 -57.2 -46.8 24.3 53.8 238.0 83 91 A V H X S+ 0 0 77 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.762 106.7 65.6 -70.1 -20.1 22.0 56.5 239.4 84 92 A G H < S+ 0 0 0 -4,-1.3 3,-0.5 2,-0.2 4,-0.4 0.960 108.6 34.9 -65.7 -51.6 19.4 53.7 239.8 85 93 A Y H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.755 110.0 66.4 -74.4 -21.7 21.5 51.9 242.5 86 94 A A H >< S+ 0 0 39 -4,-1.6 3,-0.8 -5,-0.3 4,-0.2 0.845 99.4 51.7 -64.5 -31.1 22.6 55.2 243.8 87 95 A L G >< S+ 0 0 60 -4,-1.3 3,-0.5 -3,-0.5 -1,-0.3 0.675 101.2 63.3 -78.0 -17.3 19.0 55.8 244.8 88 96 A M G < S+ 0 0 9 -3,-0.6 -1,-0.2 -4,-0.4 86,-0.2 0.449 88.5 69.8 -86.2 -3.5 19.0 52.4 246.6 89 97 A T G < S+ 0 0 32 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.629 74.9 93.3 -93.0 -15.6 21.6 53.5 249.1 90 98 A V S < S- 0 0 41 -3,-0.5 7,-0.0 -4,-0.2 78,-0.0 -0.620 85.2-109.3 -76.3 137.6 19.5 55.9 251.0 91 99 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 77,-0.0 0.879 57.1 -59.7 -34.1-105.6 17.7 54.3 254.1 92 100 A T S S+ 0 0 85 5,-0.0 5,-0.3 75,-0.0 6,-0.2 0.702 71.0 144.6-119.0 -67.6 13.9 53.7 254.1 93 101 A E - 0 0 101 4,-0.1 0, 0.0 3,-0.1 0, 0.0 -0.027 69.7 -6.5 55.6-161.6 11.9 56.9 253.6 94 102 A N S > S- 0 0 94 1,-0.1 3,-2.1 2,-0.1 4,-0.4 -0.350 70.7-123.8 -60.1 143.0 8.7 56.8 251.5 95 103 A T T >> S+ 0 0 50 1,-0.3 3,-1.7 2,-0.2 4,-1.1 0.873 108.7 74.7 -55.6 -34.4 8.2 53.4 249.9 96 104 A W H 3> S+ 0 0 82 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.564 79.0 74.3 -53.6 -20.1 8.1 55.3 246.6 97 105 A F H <> S+ 0 0 61 -3,-2.1 4,-1.9 -5,-0.3 -1,-0.3 0.907 100.9 40.4 -61.9 -42.6 11.9 55.8 246.9 98 106 A M H <> S+ 0 0 13 -3,-1.7 4,-3.0 -4,-0.4 5,-0.2 0.938 111.4 54.3 -73.3 -46.9 12.5 52.2 245.9 99 107 A F H X S+ 0 0 0 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.947 111.3 47.5 -56.2 -41.5 9.8 51.9 243.2 100 108 A S H X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.948 109.7 52.0 -64.5 -48.1 11.3 54.9 241.5 101 109 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.905 110.6 49.4 -52.8 -40.9 14.8 53.5 241.8 102 110 A L H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.929 108.4 52.6 -67.5 -39.9 13.5 50.3 240.2 103 111 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.892 107.0 52.9 -62.0 -36.3 11.9 52.2 237.5 104 112 A V H X S+ 0 0 18 -4,-2.6 4,-3.6 1,-0.2 -1,-0.2 0.946 107.9 50.4 -66.3 -42.3 15.2 53.9 236.8 105 113 A I H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 -2,-0.2 0.922 107.7 55.3 -60.8 -38.3 16.9 50.5 236.6 106 114 A V H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.966 112.0 41.4 -56.2 -55.1 14.1 49.6 234.1 107 115 A V H X S+ 0 0 16 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.926 115.0 51.9 -60.2 -43.7 14.9 52.6 231.9 108 116 A G H >X S+ 0 0 0 -4,-3.6 4,-1.6 1,-0.2 3,-1.1 0.942 108.5 51.2 -61.7 -39.5 18.7 52.0 232.3 109 117 A N H >X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.3 3,-1.0 0.946 105.5 55.5 -61.4 -49.1 18.4 48.4 231.3 110 118 A G H 3< S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.675 112.1 43.0 -58.8 -23.9 16.5 49.3 228.2 111 119 A L H << S+ 0 0 12 -3,-1.1 -34,-0.4 -4,-1.0 -1,-0.3 0.649 122.3 35.8 -99.2 -14.8 19.2 51.6 227.0 112 120 A F H S+ 0 0 23 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.893 119.8 45.1 -71.0 -38.1 20.2 45.9 223.6 115 123 A N H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.857 109.5 53.2 -73.3 -38.4 23.0 48.3 222.5 116 124 A A H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.867 114.5 44.3 -63.9 -36.3 25.8 46.6 224.4 117 125 A G H X S+ 0 0 8 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.2 0.799 106.8 59.9 -74.3 -33.5 24.7 43.4 222.6 118 126 A N H X S+ 0 0 19 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.842 100.3 56.7 -63.6 -35.3 24.4 45.1 219.3 119 127 A L H X S+ 0 0 5 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.898 105.0 50.3 -63.4 -40.9 28.0 46.1 219.5 120 128 A V H < S+ 0 0 0 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.856 110.7 50.5 -63.5 -35.9 29.0 42.4 219.8 121 129 A R H < S+ 0 0 116 -4,-1.5 6,-0.4 4,-0.1 -2,-0.2 0.868 120.4 36.3 -68.7 -37.6 26.8 41.7 216.7 122 130 A K H < S+ 0 0 86 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121 -3,-1.2 4,-0.8 -4,-0.3 -1,-0.2 0.874 113.5 46.6 -63.2 -37.2 27.8 32.8 217.5 133 141 A S H >X S+ 0 0 70 -4,-0.9 4,-2.1 2,-0.2 3,-0.8 0.942 112.0 52.1 -69.6 -36.6 31.1 32.0 219.2 134 142 A A H 3X S+ 0 0 12 -4,-3.4 4,-3.0 1,-0.3 5,-0.2 0.927 104.9 53.3 -66.5 -47.7 31.4 35.5 220.4 135 143 A F H 3X S+ 0 0 51 -4,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.708 106.8 54.9 -61.2 -23.5 28.0 35.7 222.0 136 144 A T H X S+ 0 0 79 -4,-1.7 4,-1.6 1,-0.3 3,-0.9 0.949 108.6 47.8 -63.7 -41.0 27.2 34.9 227.6 140 148 A M H 3X S+ 0 0 53 -4,-2.8 4,-2.8 1,-0.3 -1,-0.3 0.837 101.6 65.0 -68.3 -29.1 29.9 33.5 229.9 141 149 A A H 3X S+ 0 0 12 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.831 101.4 50.4 -64.6 -30.4 31.0 37.1 230.7 142 150 A V H X S+ 0 0 41 -4,-2.8 4,-1.4 2,-0.2 3,-1.0 0.973 115.8 44.5 -65.5 -45.8 31.4 35.2 235.7 145 153 A G H 3X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.3 -2,-0.2 0.964 110.8 50.9 -61.3 -57.0 30.3 38.7 236.7 146 154 A S H 3X S+ 0 0 3 -4,-3.1 4,-1.4 1,-0.2 -1,-0.3 0.570 104.2 64.7 -60.0 -12.4 27.0 37.7 238.3 147 155 A T H <> S+ 0 0 13 -3,-1.0 4,-1.0 -4,-0.5 5,-0.3 0.963 101.9 43.0 -70.9 -64.2 29.0 35.1 240.3 148 156 A F H X S+ 0 0 114 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.721 118.1 49.1 -57.5 -21.4 31.1 37.6 242.3 149 157 A S H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.955 106.3 50.6 -79.3 -54.1 28.0 39.7 242.9 150 158 A M H < S+ 0 0 6 -4,-1.4 155,-0.4 1,-0.3 -2,-0.2 0.554 119.0 41.2 -69.1 -1.4 25.5 37.2 244.0 151 159 A L H X S+ 0 0 58 -4,-1.0 4,-0.6 154,-0.1 -1,-0.3 0.698 119.1 41.5-109.0 -33.8 28.1 36.0 246.5 152 160 A L H X S+ 0 0 73 -4,-1.2 4,-2.8 -5,-0.3 5,-0.3 0.942 108.2 55.6 -83.0 -48.8 29.5 39.3 247.7 153 161 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -3,-0.1 0.854 109.9 42.8 -58.7 -43.5 26.4 41.4 248.1 154 162 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.890 116.4 50.8 -70.7 -30.3 24.4 39.2 250.5 155 163 A W H X S+ 0 0 106 -4,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.845 113.2 44.6 -68.5 -39.5 27.6 38.6 252.4 156 164 A I H X S+ 0 0 34 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.808 112.2 53.5 -72.8 -34.2 28.2 42.4 252.6 157 165 A K H X S+ 0 0 17 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.940 113.3 42.3 -64.3 -48.6 24.5 42.9 253.5 158 166 A D H X S+ 0 0 64 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.952 116.9 48.1 -59.6 -51.3 24.9 40.4 256.3 159 167 A Y H >X S+ 0 0 128 -4,-2.5 4,-1.2 1,-0.2 3,-0.6 0.891 112.6 45.4 -62.3 -46.5 28.3 41.8 257.5 160 168 A V H 3X S+ 0 0 36 -4,-2.5 4,-3.0 9,-0.2 3,-0.2 0.877 106.9 59.8 -69.2 -33.1 27.3 45.5 257.5 161 169 A N H 3< S+ 0 0 30 -4,-1.7 -1,-0.2 -5,-0.3 5,-0.2 0.787 105.3 51.0 -60.9 -26.9 24.0 44.7 259.3 162 170 A A H << S+ 0 0 84 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.801 114.2 41.4 -79.9 -34.6 26.1 43.3 262.1 163 171 A Q H < S+ 0 0 134 -4,-1.2 2,-0.4 1,-0.3 -2,-0.2 0.885 132.4 17.3 -78.6 -45.3 28.4 46.3 262.4 164 172 A Y S < S- 0 0 44 -4,-3.0 -1,-0.3 -5,-0.1 2,-0.2 -0.969 89.9-116.5-133.6 117.0 25.6 48.9 262.0 165 173 A G S S- 0 0 68 -2,-0.4 2,-2.1 -3,-0.2 -3,-0.1 -0.333 79.0 -29.9 -61.3 123.7 21.9 48.0 262.5 166 174 A N S > S+ 0 0 36 -5,-0.2 4,-0.9 -2,-0.2 2,-0.4 -0.278 112.6 97.4 71.3 -51.5 19.6 48.3 259.4 167 175 A E T 4 S- 0 0 47 -2,-2.1 2,-0.2 2,-0.2 -77,-0.0 -0.981 100.5 -3.9-120.5 124.3 21.6 51.2 257.8 168 176 A F T >4 S+ 0 0 99 -2,-0.4 3,-2.3 -79,-0.1 2,-1.2 -0.699 105.1 103.1 -74.9 -53.6 23.5 50.7 255.7 169 177 A G T 3> S+ 0 0 0 1,-0.3 4,-0.9 -2,-0.2 -9,-0.2 -0.316 101.0 20.0 56.1 -91.0 23.3 46.9 255.8 170 178 A W H 3X S+ 0 0 2 -2,-1.2 4,-2.2 -4,-0.9 -1,-0.3 0.894 127.7 53.9 -70.6 -42.3 21.1 46.3 252.7 171 179 A H H <> S+ 0 0 7 -3,-2.3 4,-1.8 -5,-0.4 -2,-0.2 0.751 100.2 61.0 -68.1 -23.0 22.1 49.7 251.3 172 180 A A H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.912 106.0 48.0 -66.2 -39.3 25.7 48.9 251.6 173 181 A A H X S+ 0 0 1 -4,-0.9 4,-1.9 -3,-0.3 3,-0.2 0.935 109.2 51.4 -68.3 -41.3 25.0 46.0 249.3 174 182 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.859 105.7 56.9 -66.0 -25.9 23.2 48.3 246.9 175 183 A A H X S+ 0 0 30 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.858 101.7 56.4 -70.7 -33.6 26.2 50.6 247.0 176 184 A V H X S+ 0 0 24 -4,-1.6 4,-1.7 -3,-0.2 -2,-0.2 0.920 106.9 49.0 -62.1 -41.1 28.3 47.6 245.9 177 185 A C H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.956 111.7 50.4 -57.8 -47.3 26.0 47.4 242.9 178 186 A C H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.3 3,-0.2 0.936 110.7 45.6 -60.2 -52.6 26.4 51.1 242.3 179 187 A V H < S+ 0 0 78 -4,-2.9 4,-0.4 1,-0.2 -1,-0.3 0.765 106.3 61.9 -66.3 -25.4 30.2 51.1 242.4 180 188 A G H >X S+ 0 0 2 -4,-1.7 4,-2.4 -5,-0.2 3,-1.1 0.936 106.0 45.3 -62.7 -43.8 30.2 48.1 240.2 181 189 A I H 3X>S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.3 5,-0.7 0.958 110.9 53.8 -62.8 -43.7 28.5 50.1 237.5 182 190 A L H 3<5S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.534 108.8 51.5 -67.7 -7.2 31.0 52.9 238.2 183 191 A V H <>>S+ 0 0 46 -3,-1.1 4,-0.9 -4,-0.4 5,-0.7 0.816 116.3 36.4 -93.8 -46.2 33.8 50.4 237.7 184 192 A G H <>S+ 0 0 1 -4,-2.4 5,-1.6 2,-0.2 3,-0.4 0.984 130.4 30.7 -69.4 -58.2 32.6 49.1 234.3 185 193 A L T <5S+ 0 0 35 -4,-2.6 -3,-0.2 1,-0.2 5,-0.2 0.866 118.9 57.2 -66.8 -39.2 31.3 52.4 232.9 186 194 A G T 4X5S+ 0 0 76 -4,-0.9 3,-2.2 -3,-0.4 4,-0.7 0.594 127.9 38.2-118.0 -83.8 36.8 52.6 233.3 188 196 A Y H 3> - 0 0 83 -135,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.547 360.0-161.8 -71.6 113.4 21.3 65.7 218.5 203 217 A K H > S+ 0 0 174 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.841 89.8 52.3 -68.1 -35.5 20.3 67.9 221.5 204 218 A K H > S+ 0 0 175 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 116.0 41.4 -64.4 -43.7 16.6 68.0 220.5 205 219 A S H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.870 114.3 52.2 -71.3 -37.3 16.6 64.2 220.3 206 220 A L H X S+ 0 0 53 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.931 113.4 44.8 -63.7 -45.9 18.8 63.9 223.5 207 221 A A H X S+ 0 0 56 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.965 111.7 50.0 -61.7 -53.8 16.4 66.1 225.4 208 222 A I H X S+ 0 0 105 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.870 113.4 49.2 -58.3 -32.4 13.2 64.4 224.1 209 223 A V H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.959 111.4 46.6 -69.8 -47.6 14.7 61.1 225.1 210 224 A L H X S+ 0 0 77 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.867 112.8 50.8 -63.4 -38.5 15.8 62.2 228.6 211 225 A A H X S+ 0 0 64 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.959 111.8 46.1 -63.1 -49.5 12.3 63.7 229.2 212 226 A L H X S+ 0 0 96 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.829 110.8 55.3 -64.2 -29.2 10.6 60.6 228.1 213 227 A A H X S+ 0 0 14 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.892 107.4 47.3 -69.9 -42.7 13.0 58.5 230.3 214 228 A A H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.936 112.9 50.7 -62.5 -42.9 12.1 60.5 233.4 215 229 A L H X S+ 0 0 112 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.871 107.8 52.5 -61.7 -36.9 8.5 60.0 232.5 216 230 A S H X S+ 0 0 53 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.824 105.2 55.3 -71.6 -30.6 9.0 56.3 232.1 217 231 A V H X S+ 0 0 23 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.939 110.3 46.4 -64.6 -46.0 10.5 56.2 235.5 218 232 A V H X S+ 0 0 84 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.959 113.3 47.7 -57.8 -50.0 7.4 57.8 236.9 219 233 A A H X S+ 0 0 53 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.886 113.2 48.8 -61.4 -38.7 5.1 55.4 234.9 220 234 A S H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.906 108.6 53.4 -65.7 -43.7 7.1 52.4 236.0 221 235 A A H X S+ 0 0 3 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838 406 B S < + 0 0 104 -3,-0.8 2,-1.8 1,-0.2 3,-0.4 0.778 54.6 76.0 -65.4 -30.0 6.1 -0.5 219.4 839 407 B G + 0 0 41 -3,-0.4 -1,-0.2 1,-0.2 -3,-0.0 -0.305 52.8 137.8 -81.4 55.4 9.5 -0.8 217.9 840 408 B L + 0 0 47 -2,-1.8 -1,-0.2 -3,-0.2 5,-0.2 0.746 27.1 145.9 -70.3 -25.0 10.8 -3.1 220.7 841 409 B G >> - 0 0 36 -3,-0.4 3,-1.3 1,-0.1 4,-0.9 0.356 54.1-135.0 -23.8 128.1 12.6 -5.4 218.2 842 410 B L H 3> S+ 0 0 56 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.755 107.4 55.9 -61.1 -25.7 15.9 -7.0 219.3 843 411 B A H 34 S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.696 97.6 65.8 -79.0 -19.3 17.4 -6.1 215.9 844 412 B M H <4 S+ 0 0 92 -3,-1.3 3,-0.4 1,-0.2 -2,-0.2 0.868 102.2 44.9 -68.5 -38.9 16.5 -2.5 216.5 845 413 B I H < S+ 0 0 4 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.796 101.1 65.6 -78.8 -30.9 18.9 -2.1 219.5 846 414 B A < 0 0 49 -4,-0.9 -1,-0.2 -122,-0.1 -2,-0.1 0.687 360.0 360.0 -65.6 -16.2 22.0 -3.9 217.9 847 415 B R 0 0 165 -4,-0.5 -123,-0.1 -3,-0.4 71,-0.1 -0.238 360.0 360.0 -80.7 360.0 22.4 -1.2 215.3 848 ! 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