==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-JUL-11 3ZUX . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR N.-J.HU,S.IWATA,A.D.CAMERON,D.DREW . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 83.8 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 0 1 0 0 2 2 0 3 1 0 0 0 1 0 0 0 0 1 1 0 1 0 0 1 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 2 A N >> 0 0 160 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -27.9 29.2 93.6 65.7 2 3 A I H 3> + 0 0 132 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.817 360.0 61.5 -60.0 -33.2 31.8 92.6 68.4 3 4 A L H 3> S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.805 102.0 51.6 -63.2 -33.2 28.8 91.7 70.8 4 5 A S H <> S+ 0 0 82 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.863 111.3 46.0 -71.8 -38.9 27.6 89.0 68.3 5 6 A K H X S+ 0 0 146 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.887 112.7 51.2 -68.6 -41.2 31.2 87.4 68.2 6 7 A I H X S+ 0 0 81 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.900 112.0 46.8 -60.8 -46.2 31.4 87.6 72.0 7 8 A S H X S+ 0 0 19 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.903 112.0 50.8 -62.9 -45.3 27.9 85.9 72.3 8 9 A S H X S+ 0 0 57 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.900 112.9 45.5 -60.1 -44.6 29.0 83.2 69.7 9 10 A F H X S+ 0 0 123 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.956 111.7 50.9 -64.7 -51.5 32.3 82.5 71.7 10 11 A I H < S+ 0 0 35 -4,-2.6 3,-0.4 1,-0.2 7,-0.2 0.869 113.8 46.8 -52.2 -41.5 30.5 82.4 75.1 11 12 A G H >< S+ 0 0 40 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.925 111.9 48.7 -66.5 -47.6 28.0 79.9 73.5 12 13 A K H 3< S+ 0 0 176 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.573 122.0 36.0 -68.5 -13.9 30.8 77.8 71.9 13 14 A T T >X S+ 0 0 29 -4,-1.2 4,-1.3 -3,-0.4 3,-1.2 0.063 78.2 133.3-126.4 20.5 32.6 77.7 75.3 14 15 A F H <> + 0 0 28 -3,-1.2 4,-2.8 1,-0.3 3,-0.5 0.816 67.5 54.4 -36.9 -60.8 29.5 77.6 77.6 15 16 A S H 3> S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.786 105.4 54.0 -49.0 -39.4 30.8 74.7 80.0 16 17 A L H <> S+ 0 0 115 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.912 112.6 43.7 -66.2 -40.0 34.0 76.6 80.7 17 18 A W H X S+ 0 0 90 -4,-1.3 4,-2.6 -3,-0.5 -2,-0.2 0.930 114.1 49.9 -69.0 -44.4 32.0 79.7 81.8 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.881 112.2 48.2 -62.3 -39.4 29.5 77.5 83.8 19 20 A A H X S+ 0 0 43 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.862 111.3 51.0 -67.8 -37.9 32.4 75.8 85.5 20 21 A L H X S+ 0 0 102 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.914 112.1 46.0 -66.1 -45.8 34.1 79.2 86.3 21 22 A F H X S+ 0 0 70 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.900 112.3 50.7 -65.0 -38.7 30.8 80.5 87.8 22 23 A A H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.915 113.2 46.7 -63.3 -42.3 30.3 77.2 89.9 23 24 A A H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.881 110.0 52.9 -65.5 -40.9 34.0 77.6 91.1 24 25 A A H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.880 111.8 46.0 -61.8 -40.1 33.4 81.4 92.0 25 26 A A H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.798 111.2 53.4 -71.1 -33.5 30.3 80.4 94.0 26 27 A F H < S+ 0 0 47 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.880 117.7 35.1 -71.2 -39.2 32.3 77.5 95.7 27 28 A F H < S+ 0 0 165 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.787 135.8 24.2 -84.6 -28.3 35.2 79.9 96.8 28 29 A A >< + 0 0 41 -4,-2.2 3,-1.9 -5,-0.2 4,-0.4 -0.664 65.3 176.0-137.5 78.0 32.8 82.9 97.5 29 30 A P G >> S+ 0 0 19 0, 0.0 3,-1.7 0, 0.0 4,-1.7 0.848 76.8 65.6 -51.4 -39.9 29.2 81.8 98.2 30 31 A D G 34 S+ 0 0 129 1,-0.3 4,-0.3 2,-0.2 -5,-0.1 0.513 87.1 72.9 -62.8 -7.2 27.9 85.3 99.0 31 32 A T G <4 S+ 0 0 70 -3,-1.9 -1,-0.3 -7,-0.2 177,-0.1 0.788 118.0 12.2 -76.7 -31.9 28.6 86.3 95.3 32 33 A F T X4 S+ 0 0 20 -3,-1.7 3,-2.0 -4,-0.4 4,-0.4 0.489 96.6 97.3-126.2 -7.1 25.6 84.3 94.1 33 34 A K G >< S+ 0 0 96 -4,-1.7 3,-1.0 1,-0.3 -3,-0.1 0.758 80.4 65.0 -55.8 -26.2 23.5 83.3 97.2 34 35 A W G 3 S+ 0 0 144 -4,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.700 91.8 63.5 -65.7 -27.5 21.2 86.4 96.4 35 36 A A G X> S+ 0 0 0 -3,-2.0 3,-1.3 1,-0.2 4,-0.7 0.667 78.5 91.2 -73.3 -19.5 20.1 84.7 93.1 36 37 A G G X4 S+ 0 0 27 -3,-1.0 3,-1.3 -4,-0.4 -1,-0.2 0.868 86.6 43.8 -42.8 -57.0 18.5 81.8 95.1 37 38 A P G 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.697 111.9 56.7 -67.5 -16.8 15.0 83.3 95.4 38 39 A Y G X> S+ 0 0 133 -3,-1.3 4,-2.6 -4,-0.2 3,-0.7 0.553 75.5 101.6 -89.2 -8.9 15.2 84.4 91.7 39 40 A I H S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.879 114.0 45.4 -59.9 -39.6 12.1 80.2 89.3 41 42 A W H <> S+ 0 0 195 -3,-0.7 4,-1.8 -4,-0.2 -2,-0.2 0.892 112.2 52.3 -67.7 -41.2 12.2 83.6 87.3 42 43 A L H X S+ 0 0 22 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.924 114.4 41.0 -61.5 -47.5 15.6 82.7 85.9 43 44 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.877 111.3 57.8 -68.8 -37.1 14.4 79.3 84.6 44 45 A G H X S+ 0 0 11 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.841 104.0 52.4 -58.2 -37.0 11.1 80.8 83.5 45 46 A I H X S+ 0 0 74 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.893 109.8 48.9 -66.4 -40.8 13.1 83.3 81.2 46 47 A I H X S+ 0 0 32 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.921 112.4 47.4 -64.7 -45.5 15.0 80.3 79.7 47 48 A M H X S+ 0 0 6 -4,-2.5 4,-1.7 121,-0.3 -2,-0.2 0.859 107.5 55.8 -66.8 -33.9 11.7 78.4 79.1 48 49 A F H X S+ 0 0 65 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.898 106.6 53.0 -61.1 -41.1 10.1 81.6 77.5 49 50 A G H X S+ 0 0 5 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.824 104.6 54.2 -62.4 -39.6 13.0 81.6 75.1 50 51 A M H X S+ 0 0 15 -4,-1.4 4,-0.8 2,-0.2 3,-0.2 0.940 111.6 43.5 -61.5 -51.9 12.4 77.9 74.0 51 52 A G H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.826 110.0 57.7 -62.0 -36.1 8.7 78.6 73.1 52 53 A L H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.7 41.2 -61.0 -41.4 9.8 81.9 71.4 53 54 A T H < S+ 0 0 68 -4,-1.6 2,-0.5 -3,-0.2 -1,-0.2 0.559 96.9 101.8 -82.8 -14.3 12.2 79.8 69.1 54 55 A L < - 0 0 9 -4,-0.8 126,-0.1 -3,-0.1 -3,-0.0 -0.651 51.7-175.7 -80.9 122.4 9.5 77.1 68.7 55 56 A K > - 0 0 90 -2,-0.5 3,-1.7 1,-0.0 4,-0.2 -0.782 38.7-110.7-111.2 156.6 7.5 77.2 65.4 56 57 A P G > S+ 0 0 93 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.806 115.6 64.1 -60.8 -26.2 4.6 74.9 64.4 57 58 A S G > S+ 0 0 60 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.659 83.3 77.2 -69.7 -16.0 6.8 73.1 61.7 58 59 A D G < S+ 0 0 26 -3,-1.7 -1,-0.3 1,-0.3 74,-0.1 0.572 95.5 49.7 -68.3 -9.9 9.0 71.8 64.6 59 60 A F G X> S+ 0 0 31 -3,-1.4 4,-1.0 -4,-0.2 3,-0.7 0.342 79.6 100.5-107.7 -0.1 6.2 69.2 65.2 60 61 A D H X> S+ 0 0 89 -3,-1.5 4,-2.0 1,-0.2 3,-1.0 0.907 80.5 53.5 -51.7 -49.2 5.9 68.1 61.6 61 62 A I H 3> S+ 0 0 23 -4,-0.4 4,-3.1 1,-0.3 -1,-0.2 0.789 101.7 61.1 -57.4 -33.0 8.0 64.9 62.3 62 63 A L H <4 S+ 0 0 36 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.836 113.3 35.4 -64.6 -34.7 5.5 64.1 65.2 63 64 A F H << S+ 0 0 148 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.731 124.3 42.2 -91.3 -24.1 2.6 63.9 62.6 64 65 A K H < S+ 0 0 157 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.804 133.8 18.3 -89.0 -36.0 4.6 62.4 59.7 65 66 A H S X S+ 0 0 109 -4,-3.1 4,-1.4 -5,-0.2 3,-0.4 -0.607 71.0 161.5-134.7 69.4 6.6 59.8 61.8 66 67 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.855 73.6 55.4 -61.5 -36.9 4.7 59.4 65.2 67 68 A K H > S+ 0 0 171 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.826 105.8 51.8 -65.7 -34.8 6.4 56.1 66.2 68 69 A V H > S+ 0 0 32 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.904 113.2 43.5 -68.8 -43.3 10.0 57.6 65.9 69 70 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 -8,-0.2 -2,-0.2 0.935 114.0 51.9 -67.4 -44.8 9.1 60.6 68.1 70 71 A I H X S+ 0 0 80 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.836 105.7 53.5 -60.3 -39.0 7.2 58.3 70.6 71 72 A I H X S+ 0 0 44 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.919 109.9 50.2 -60.5 -44.5 10.3 55.9 70.9 72 73 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.886 111.7 46.3 -58.5 -47.0 12.4 58.9 71.8 73 74 A V H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.920 113.9 48.3 -64.1 -47.2 9.9 60.1 74.5 74 75 A I H X S+ 0 0 110 -4,-2.8 4,-1.7 1,-0.2 5,-0.3 0.928 112.5 49.3 -59.8 -45.0 9.6 56.5 75.9 75 76 A A H X S+ 0 0 7 -4,-2.8 4,-2.0 2,-0.2 5,-0.5 0.876 109.5 52.6 -62.3 -41.2 13.5 56.2 75.9 76 77 A Q H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.943 118.5 34.0 -58.3 -54.3 13.8 59.6 77.7 77 78 A F H < S+ 0 0 21 -4,-2.1 -2,-0.2 3,-0.1 -1,-0.2 0.532 122.4 45.9 -83.9 -11.1 11.4 58.7 80.6 78 79 A A H X S+ 0 0 54 -4,-1.7 4,-1.4 -5,-0.2 -3,-0.2 0.876 119.0 36.8 -93.1 -48.9 12.2 54.9 80.8 79 80 A I H X S+ 0 0 21 -4,-2.0 4,-3.1 -5,-0.3 5,-0.2 0.963 115.8 46.5 -67.3 -62.8 16.1 55.2 80.8 80 81 A M H X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.5 26,-0.2 0.886 116.6 41.7 -54.9 -47.8 17.0 58.4 82.8 81 82 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.952 118.3 46.9 -66.5 -45.5 14.7 57.8 85.8 82 83 A A H X S+ 0 0 52 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.878 111.7 51.4 -61.9 -40.6 15.6 54.0 85.9 83 84 A T H X S+ 0 0 9 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.907 110.0 49.7 -61.8 -43.4 19.4 54.8 85.6 84 85 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.890 113.9 45.4 -61.4 -42.6 19.1 57.4 88.5 85 86 A W H X S+ 0 0 109 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.933 113.2 49.4 -66.0 -48.5 17.3 54.7 90.7 86 87 A C H X S+ 0 0 63 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.913 112.6 46.8 -56.7 -50.1 19.8 51.9 89.8 87 88 A L H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.814 110.5 53.2 -63.6 -33.8 22.9 54.1 90.6 88 89 A S H <>S+ 0 0 13 -4,-1.5 5,-1.9 -5,-0.2 4,-0.3 0.902 116.4 39.3 -67.5 -41.3 21.3 55.3 93.9 89 90 A K H ><5S+ 0 0 147 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.958 117.6 48.7 -69.7 -54.6 20.8 51.6 94.9 90 91 A L H 3<5S+ 0 0 128 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.837 120.0 36.2 -53.8 -47.0 24.2 50.4 93.4 91 92 A L T 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.375 103.0-129.8 -92.6 2.1 26.3 53.1 95.1 92 93 A N T < 5 - 0 0 145 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.920 36.1-166.2 46.3 53.9 24.1 53.2 98.3 93 94 A L < - 0 0 15 -5,-1.9 -1,-0.1 -6,-0.2 5,-0.0 -0.451 25.8-100.2 -67.9 142.8 23.8 57.0 98.1 94 95 A P >> - 0 0 73 0, 0.0 4,-2.2 0, 0.0 3,-1.4 -0.351 41.6-103.4 -63.4 143.5 22.4 58.9 101.2 95 96 A A H 3> S+ 0 0 77 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.762 119.0 52.1 -33.3 -51.0 18.7 59.8 100.8 96 97 A E H 3> S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.838 114.2 42.7 -63.2 -37.1 19.3 63.5 100.0 97 98 A I H <> S+ 0 0 4 -3,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.944 113.5 51.7 -73.8 -46.7 21.7 62.7 97.2 98 99 A A H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.886 110.4 49.0 -55.1 -44.4 19.6 59.8 95.8 99 100 A V H X S+ 0 0 22 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.903 111.1 50.9 -63.9 -39.4 16.5 62.2 95.7 100 101 A G H X S+ 0 0 1 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.826 113.0 44.9 -64.7 -36.1 18.7 64.8 93.9 101 102 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.895 112.9 50.2 -76.4 -41.2 19.8 62.2 91.3 102 103 A I H X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.922 107.9 54.8 -63.1 -41.5 16.3 60.8 90.8 103 104 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.898 109.4 46.0 -57.7 -46.7 15.0 64.4 90.3 104 105 A V H >< S+ 0 0 1 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.905 113.3 51.2 -59.9 -47.2 17.5 65.0 87.4 105 106 A G H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.789 108.6 50.7 -61.0 -34.3 16.6 61.6 86.0 106 107 A C H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 -26,-0.2 -2,-0.2 0.606 91.6 99.3 -82.6 -13.5 12.9 62.3 86.0 107 108 A C S << S- 0 0 0 -3,-0.8 3,-0.1 -4,-0.7 158,-0.1 -0.309 78.9-106.8 -70.2 158.0 13.3 65.7 84.3 108 109 A P - 0 0 0 0, 0.0 156,-2.9 0, 0.0 -1,-0.1 -0.119 49.8 -71.8 -72.1-179.4 12.7 66.1 80.5 109 110 A G - 0 0 1 154,-0.3 2,-0.3 21,-0.2 154,-0.3 -0.120 49.7-107.8 -68.4 166.2 15.4 66.5 77.9 110 111 A G > - 0 0 5 152,-0.4 3,-1.4 149,-0.3 4,-0.3 -0.785 11.3-129.4-102.5 145.9 17.5 69.6 77.4 111 112 A T T >> S+ 0 0 68 -2,-0.3 3,-2.7 1,-0.2 4,-0.5 0.874 104.2 70.0 -55.2 -42.7 17.4 72.2 74.6 112 113 A A H 3> S+ 0 0 23 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.715 83.5 71.9 -52.2 -24.5 21.2 71.9 74.1 113 114 A S H <> S+ 0 0 0 -3,-1.4 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0.886 113.3 50.8 -63.2 -43.8 2.4 73.4 90.0 164 165 A S H X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.865 109.6 49.3 -62.0 -43.2 6.1 74.5 89.7 165 166 A I H X>S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-1.9 0.884 110.7 51.4 -66.7 -37.4 6.5 72.9 86.2 166 167 A V H <>S+ 0 0 51 -4,-1.9 5,-3.4 3,-0.2 -2,-0.2 0.937 117.1 39.7 -61.5 -47.7 3.3 74.6 85.1 167 168 A K H <5S+ 0 0 124 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.844 126.7 31.3 -70.9 -42.4 4.6 78.0 86.3 168 169 A M H <5S+ 0 0 9 -4,-2.7 -121,-0.3 3,-0.1 -3,-0.2 0.630 136.1 18.4 -91.4 -25.3 8.3 77.7 85.3 169 170 A V T X5S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -3,-0.2 0.757 127.8 35.5-114.7 -59.4 8.0 75.6 82.1 170 171 A L H > S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.869 113.4 53.6 -67.5 -37.8 6.6 80.6 79.8 173 174 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 113.6 43.5 -58.5 -47.6 6.7 78.1 76.8 174 175 A V H X S+ 0 0 75 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.938 112.9 50.5 -62.3 -51.7 3.1 79.0 75.8 175 176 A L H X S+ 0 0 83 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.821 113.5 48.6 -55.9 -34.4 3.6 82.8 76.3 176 177 A G H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.871 109.6 50.8 -71.6 -42.2 6.7 82.4 74.1 177 178 A L H X S+ 0 0 47 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.845 108.1 52.1 -65.2 -38.9 4.7 80.4 71.4 178 179 A I H X S+ 0 0 96 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.882 107.0 53.4 -66.9 -36.8 2.0 83.0 71.2 179 180 A V H X S+ 0 0 35 -4,-1.2 4,-3.1 2,-0.2 5,-0.4 0.894 105.5 54.2 -63.2 -41.6 4.6 85.8 70.7 180 181 A H H X S+ 0 0 43 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.849 113.1 42.4 -61.4 -37.4 6.1 83.8 67.7 181 182 A K H < S+ 0 0 173 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.871 116.4 50.2 -75.3 -37.8 2.6 83.7 66.1 182 183 A V H < S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.942 123.3 26.7 -64.7 -55.2 1.9 87.4 67.0 183 184 A L H >< S- 0 0 82 -4,-3.1 3,-1.6 1,-0.2 2,-0.5 0.667 88.1-170.4 -86.0 -19.9 5.2 88.9 65.6 184 185 A G G >< S- 0 0 33 -4,-1.2 3,-0.5 -5,-0.4 -1,-0.2 -0.545 73.1 -0.5 70.4-112.4 5.8 86.2 62.9 185 186 A S G > S+ 0 0 109 -2,-0.5 3,-1.6 1,-0.2 -1,-0.3 0.653 120.1 79.2 -83.3 -18.3 9.3 86.7 61.4 186 187 A K G X S+ 0 0 158 -3,-1.6 3,-1.0 1,-0.3 4,-0.5 0.637 74.4 78.0 -63.6 -18.4 10.0 89.8 63.6 187 188 A T G <> S+ 0 0 4 -3,-0.5 4,-1.6 1,-0.2 3,-0.3 0.625 72.9 80.7 -67.4 -15.2 10.8 87.4 66.6 188 189 A E H <> S+ 0 0 129 -3,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.856 89.6 52.3 -59.1 -38.8 14.3 86.8 65.0 189 190 A K H <4 S+ 0 0 167 -3,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.816 111.0 47.4 -65.9 -34.7 15.5 90.1 66.6 190 191 A L H > S+ 0 0 86 -4,-0.5 4,-0.5 -3,-0.3 3,-0.3 0.740 108.2 55.8 -78.1 -26.7 14.3 89.0 70.0 191 192 A T H < S+ 0 0 34 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.627 94.7 67.8 -80.4 -16.8 15.9 85.5 69.6 192 193 A D T < S+ 0 0 98 -4,-0.8 4,-0.4 1,-0.2 -1,-0.2 0.804 101.2 47.4 -70.6 -32.4 19.4 87.1 69.0 193 194 A A T > S+ 0 0 55 -4,-0.5 4,-1.9 -3,-0.3 3,-0.2 0.722 94.4 83.5 -78.6 -26.0 19.5 88.3 72.6 194 195 A L H X S+ 0 0 21 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.820 81.3 55.2 -49.2 -50.8 18.4 84.8 73.9 195 196 A P H > S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.936 114.3 40.6 -54.7 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27.6 69.6 101.5 217 218 A I H X S+ 0 0 28 -4,-2.5 4,-2.3 3,-0.2 5,-0.3 0.875 106.8 58.9 -71.6 -37.7 29.8 69.9 98.3 218 219 A M H < S+ 0 0 126 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.805 118.0 30.9 -60.0 -31.8 32.9 69.9 100.6 219 220 A E H < S+ 0 0 138 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.782 140.0 13.1 -98.2 -32.0 31.8 66.5 101.9 220 221 A S H X S+ 0 0 21 -4,-2.4 4,-2.5 -5,-0.1 3,-0.3 0.379 88.7 107.6-127.4 0.1 30.0 64.8 99.0 221 222 A G H X S+ 0 0 9 -4,-2.3 4,-2.2 -5,-0.2 -3,-0.1 0.813 82.8 49.1 -50.4 -43.4 30.8 66.9 95.8 222 223 A L H > S+ 0 0 149 -5,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.880 111.8 48.7 -67.2 -40.0 33.2 64.3 94.3 223 224 A L H > S+ 0 0 69 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.919 111.3 50.6 -64.9 -44.4 30.7 61.5 94.8 224 225 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.916 109.8 50.9 -60.3 -43.0 27.9 63.6 93.2 225 226 A F H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 109.6 49.2 -61.0 -45.7 30.2 64.3 90.2 226 227 A A H X S+ 0 0 46 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 112.8 47.9 -59.1 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24.1 57.8 76.1 237 238 A L H X S+ 0 0 106 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.887 117.7 38.4 -51.2 -53.6 24.8 54.0 76.1 238 239 A L H X S+ 0 0 80 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.835 113.7 57.1 -71.3 -31.5 21.2 52.8 76.7 239 240 A G H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.853 107.0 49.2 -63.9 -38.9 19.9 55.6 74.4 240 241 A F H X S+ 0 0 50 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.946 113.4 44.5 -65.4 -52.1 22.1 54.3 71.5 241 242 A F H X S+ 0 0 72 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.812 111.0 54.6 -65.3 -31.1 20.9 50.6 71.9 242 243 A A H X S+ 0 0 29 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.887 112.5 43.5 -69.0 -38.0 17.3 51.7 72.3 243 244 A A H <>S+ 0 0 0 -4,-1.6 5,-1.9 10,-0.2 -2,-0.2 0.910 119.4 43.3 -71.6 -41.6 17.5 53.6 68.9 244 245 A K H ><5S+ 0 0 106 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.902 112.7 50.3 -70.1 -47.2 19.4 50.7 67.3 245 246 A W H 3<5S+ 0 0 195 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.674 105.1 57.5 -69.6 -17.7 17.2 47.8 68.7 246 247 A T T 3<5S- 0 0 72 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.425 119.5-113.8 -88.1 -1.8 14.0 49.6 67.5 247 248 A G T < 5 + 0 0 65 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.587 60.0 158.7 80.6 17.1 15.5 49.5 64.0 248 249 A L < - 0 0 17 -5,-1.9 -1,-0.2 -6,-0.2 5,-0.1 -0.377 43.9-101.5 -71.6 147.8 16.0 53.2 63.6 249 250 A P >> - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.220 36.4 -98.8 -67.8 161.9 18.5 54.6 61.0 250 251 A Y H 3> S+ 0 0 81 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.784 122.3 54.5 -46.5 -43.3 22.0 56.0 62.0 251 252 A D H 3> S+ 0 0 68 1,-0.2 -128,-2.5 2,-0.2 4,-1.6 0.866 112.3 44.3 -62.7 -37.6 20.8 59.7 62.0 252 253 A A H <> S+ 0 0 1 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.857 109.3 57.5 -74.2 -36.8 18.0 58.9 64.4 253 254 A Q H X S+ 0 0 23 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.862 109.2 44.6 -60.8 -41.1 20.4 56.7 66.6 254 255 A K H X S+ 0 0 5 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.905 113.1 52.1 -70.1 -42.3 22.7 59.8 67.1 255 256 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.918 114.1 41.8 -57.9 -48.8 19.7 62.0 67.8 256 257 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.822 108.8 58.1 -73.5 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43.6 13.5 70.6 99.2 277 278 A A T 3 + 0 0 72 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.775 68.5 59.6 -54.8 -34.8 14.9 74.1 100.3 278 279 A A T 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.641 104.7 54.7 -71.1 -15.2 15.9 72.9 103.8 279 280 A A X - 0 0 15 -3,-1.7 3,-1.5 -7,-0.2 4,-0.3 -0.818 67.6-179.0-118.7 84.9 18.2 70.3 102.1 280 281 A P G > S+ 0 0 53 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.755 74.1 69.2 -58.5 -27.4 20.6 72.3 99.8 281 282 A V G > S+ 0 0 3 1,-0.2 3,-0.7 2,-0.2 -68,-0.1 0.694 83.4 73.2 -63.7 -22.6 22.5 69.2 98.5 282 283 A V G < S+ 0 0 4 -3,-1.5 4,-0.4 -6,-0.3 -1,-0.2 0.836 97.5 48.2 -61.4 -35.0 19.3 68.0 96.6 283 284 A A G <> S+ 0 0 7 -3,-1.0 4,-2.0 -4,-0.3 -1,-0.2 0.625 94.1 81.2 -78.3 -19.5 19.8 70.8 94.0 284 285 A V H <> S+ 0 0 0 -3,-0.7 4,-2.5 -4,-0.4 5,-0.3 0.936 85.7 52.4 -58.9 -52.5 23.6 69.8 93.6 285 286 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.905 113.4 47.4 -52.0 -40.3 23.2 66.8 91.2 286 287 A G H > S+ 0 0 1 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.886 111.8 49.2 -63.6 -43.7 21.1 69.1 88.9 287 288 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.918 115.0 43.0 -63.4 -46.9 23.7 72.0 89.1 288 289 A L H X S+ 0 0 33 -4,-2.5 4,-2.8 1,-0.2 3,-0.4 0.828 109.8 57.5 -70.1 -32.8 26.7 69.8 88.3 289 290 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.886 100.3 58.1 -63.7 -40.9 24.8 67.9 85.5 290 291 A S H < S+ 0 0 6 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.778 113.3 39.8 -59.0 -32.0 24.1 71.3 83.7 291 292 A V H >X S+ 0 0 17 -4,-0.8 4,-0.9 -3,-0.4 3,-0.6 0.951 119.9 44.7 -79.7 -55.7 27.9 71.8 83.6 292 293 A W H 3X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 3,-0.4 0.821 103.1 57.3 -58.0 -52.3 28.8 68.2 82.7 293 294 A H H 3X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.724 104.8 54.1 -59.6 -26.4 26.3 67.1 80.0 294 295 A N H <> S+ 0 0 21 -3,-0.6 4,-2.1 -5,-0.3 -1,-0.2 0.887 110.9 46.7 -72.2 -40.7 27.4 70.0 77.7 295 296 A I H X S+ 0 0 53 -4,-0.9 4,-1.8 -3,-0.4 -2,-0.2 0.950 119.7 38.5 -64.5 -53.9 31.1 68.8 78.0 296 297 A S H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.868 115.6 54.1 -65.9 -37.8 30.2 65.1 77.3 297 298 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.872 109.9 46.4 -62.6 -42.3 27.6 66.0 74.7 298 299 A S H X S+ 0 0 46 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.865 111.5 52.3 -70.2 -35.7 30.1 68.1 72.7 299 300 A L H X S+ 0 0 116 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 113.9 42.4 -62.4 -49.5 32.7 65.3 73.0 300 301 A L H X S+ 0 0 38 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 116.9 48.3 -63.0 -45.0 30.2 62.7 71.6 301 302 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.860 110.3 51.9 -63.6 -41.4 29.0 65.2 68.9 302 303 A T H X S+ 0 0 93 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.925 107.9 51.7 -62.5 -45.6 32.6 66.0 67.9 303 304 A Y H X S+ 0 0 144 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 114.9 42.7 -55.5 -47.4 33.4 62.3 67.5 304 305 A W H X S+ 0 0 17 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.769 112.4 52.0 -70.9 -31.9 30.3 61.9 65.2 305 306 A A H < S+ 0 0 42 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.842 112.9 46.7 -71.8 -35.4 31.0 65.2 63.3 306 307 A A H < S+ 0 0 85 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.895 112.9 49.2 -71.1 -41.3 34.6 63.9 62.7 307 308 A K H < 0 0 128 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.864 360.0 360.0 -65.2 -40.6 33.3 60.5 61.6 308 309 A A < 0 0 87 -4,-1.9 -3,-0.2 -5,-0.1 -187,-0.1 0.733 360.0 360.0 -95.3 360.0 30.7 62.0 59.2