==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-DEC-12 4IKY . COMPND 2 MOLECULE: DI-TRIPEPTIDE ABC TRANSPORTER (PERMEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.DOKI,H.E.KATO,R.ISHITANI,O.NUREKI . 492 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 2 0.4 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 . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 0 0 1 2 0 0 0 0 0 0 0 1 1 0 0 2 0 0 0 0 3 0 1 3 3 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A S 0 0 116 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 134.2 26.2 15.5 29.1 2 4 A I - 0 0 65 209,-0.1 5,-0.1 1,-0.1 213,-0.1 -0.805 360.0 -96.8 -98.7 138.6 22.8 16.8 30.4 3 5 A D > - 0 0 96 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.230 27.0-130.5 -53.2 135.8 20.7 14.8 32.9 4 6 A K H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.832 107.0 52.7 -60.4 -36.7 18.0 12.8 31.2 5 7 A Q H > S+ 0 0 59 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 110.1 47.7 -66.7 -39.4 15.3 14.1 33.6 6 8 A Q H > S+ 0 0 115 2,-0.2 4,-0.7 -3,-0.2 -2,-0.2 0.838 112.3 50.7 -70.7 -33.0 16.3 17.7 32.9 7 9 A I H >X S+ 0 0 4 -4,-2.1 3,-1.1 2,-0.2 4,-0.9 0.949 111.3 46.8 -64.9 -50.8 16.2 16.9 29.2 8 10 A A H 3< S+ 0 0 8 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.810 105.4 61.8 -60.6 -31.5 12.7 15.3 29.5 9 11 A A H 3< S+ 0 0 77 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.767 103.1 50.1 -66.7 -26.0 11.7 18.4 31.5 10 12 A S H << S+ 0 0 39 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.693 98.9 80.0 -84.0 -21.4 12.4 20.6 28.5 11 13 A V S < S- 0 0 4 -4,-0.9 198,-0.1 -3,-0.4 197,-0.1 -0.767 84.2-122.3 -94.5 126.8 10.4 18.3 26.1 12 14 A P - 0 0 48 0, 0.0 10,-0.5 0, 0.0 9,-0.1 -0.447 16.6-152.7 -61.5 137.6 6.5 18.6 26.0 13 15 A Q + 0 0 61 7,-0.2 2,-0.2 -2,-0.1 3,-0.1 0.381 69.1 45.7 -98.5 1.9 5.0 15.2 26.8 14 16 A R + 0 0 184 1,-0.1 7,-1.7 6,-0.0 8,-0.1 -0.788 61.1 83.9-133.7 175.0 1.8 15.7 24.9 15 17 A G E S+A 20 0A 64 -2,-0.2 2,-0.2 5,-0.2 -1,-0.1 0.226 78.3 73.6 118.1 -12.2 0.4 16.9 21.5 16 18 A F E > S-A 19 0A 31 3,-2.3 3,-0.9 -3,-0.1 7,-0.0 -0.636 118.1 -56.9-138.8 78.8 0.7 13.9 19.2 17 19 A F T 3 S- 0 0 182 1,-0.3 -3,-0.0 -2,-0.2 0, 0.0 0.920 114.6 -38.9 52.8 54.5 -1.8 11.1 19.8 18 20 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 0, 0.0 3,-0.0 0.502 127.1 96.6 78.0 3.5 -0.9 10.4 23.5 19 21 A H E < S-A 16 0A 19 -3,-0.9 -3,-2.3 1,-0.1 -1,-0.3 -0.793 89.0 -78.3-119.1 162.0 2.8 11.0 22.7 20 22 A P E > -A 15 0A 0 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.317 39.4-123.7 -54.1 142.3 5.1 14.0 22.9 21 23 A K T 3> S+ 0 0 42 -7,-1.7 4,-1.1 1,-0.3 3,-0.2 0.601 107.8 74.3 -67.6 -11.0 4.6 16.5 20.1 22 24 A G H 3> S+ 0 0 0 -10,-0.5 4,-2.3 186,-0.4 -1,-0.3 0.739 84.0 65.5 -71.1 -24.1 8.3 16.1 19.3 23 25 A L H <> S+ 0 0 0 -3,-1.8 4,-3.5 2,-0.2 5,-0.2 0.879 97.4 55.0 -64.2 -37.7 7.5 12.7 17.9 24 26 A F H > S+ 0 0 77 -4,-0.5 4,-2.1 -3,-0.2 5,-0.3 0.930 108.8 47.8 -56.7 -48.5 5.6 14.5 15.2 25 27 A T H X S+ 0 0 0 -4,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.908 118.4 40.0 -58.5 -44.9 8.7 16.5 14.4 26 28 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.840 112.7 54.0 -79.7 -35.7 10.9 13.4 14.3 27 29 A F H X S+ 0 0 32 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.944 115.4 39.4 -60.5 -50.0 8.4 11.1 12.5 28 30 A F H X S+ 0 0 64 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.802 112.2 56.5 -75.8 -30.0 7.9 13.6 9.6 29 31 A T H X S+ 0 0 2 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.951 115.5 37.4 -61.6 -49.4 11.6 14.6 9.5 30 32 A E H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.873 113.4 57.6 -73.2 -37.4 12.6 10.9 9.0 31 33 A F H X S+ 0 0 19 -4,-2.4 4,-3.3 -5,-0.2 -2,-0.2 0.945 110.2 43.1 -54.2 -52.6 9.6 10.1 6.8 32 34 A W H X S+ 0 0 58 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.839 113.5 51.8 -67.0 -34.0 10.5 12.8 4.3 33 35 A E H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.904 115.2 41.8 -67.1 -42.0 14.2 11.9 4.4 34 36 A R H X S+ 0 0 10 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.903 113.4 53.9 -70.2 -42.4 13.3 8.3 3.7 35 37 A F H X S+ 0 0 14 -4,-3.3 4,-2.3 -5,-0.2 5,-0.2 0.929 112.3 44.1 -53.9 -49.7 10.7 9.3 1.1 36 38 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.924 115.8 46.5 -65.5 -45.2 13.3 11.4 -0.7 37 39 A Y H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.916 117.5 42.0 -63.5 -46.0 16.0 8.7 -0.5 38 40 A Y H X S+ 0 0 44 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.841 114.3 52.2 -72.5 -34.4 13.8 5.8 -1.6 39 41 A G H X S+ 0 0 0 -4,-2.3 4,-0.7 -5,-0.3 -2,-0.2 0.932 113.4 43.4 -65.5 -47.0 12.1 7.9 -4.3 40 42 A M H >X S+ 0 0 1 -4,-2.4 4,-1.4 -5,-0.2 3,-0.7 0.889 114.2 51.3 -64.4 -40.4 15.4 8.9 -5.8 41 43 A R H 3X S+ 0 0 49 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.830 100.3 63.9 -67.7 -32.2 16.8 5.4 -5.5 42 44 A A H 3< S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.760 118.9 23.4 -64.4 -26.6 13.7 3.9 -7.2 43 45 A I H S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 109.0 55.9 -68.1 -43.3 17.2 3.6 -14.7 47 49 A Y H < S+ 0 0 2 -4,-2.6 10,-2.8 1,-0.2 11,-0.3 0.835 107.9 51.5 -56.8 -33.5 18.4 7.2 -15.0 48 50 A M H < S+ 0 0 0 -4,-1.7 11,-3.0 8,-0.2 -1,-0.2 0.928 120.2 26.9 -72.5 -46.6 22.0 5.8 -15.2 49 51 A Y H < S+ 0 0 20 -4,-1.6 -2,-0.2 9,-0.2 -1,-0.1 0.571 91.1 108.1-100.7 -9.9 21.7 3.3 -18.0 50 52 A Y S < S- 0 0 50 -4,-2.3 8,-1.7 -5,-0.2 9,-0.2 -0.383 82.6 -92.8 -63.1 146.6 18.8 4.7 -20.0 51 53 A E > > - 0 0 107 6,-0.1 5,-2.1 7,-0.1 3,-1.6 -0.193 29.9-115.3 -62.1 154.0 19.9 6.1 -23.4 52 54 A V G > 5S+ 0 0 109 1,-0.3 3,-1.7 3,-0.2 -1,-0.1 0.833 116.3 60.1 -61.9 -33.1 20.6 9.8 -23.6 53 55 A S G 3 5S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.693 103.9 52.3 -66.9 -18.4 17.7 10.4 -26.0 54 56 A K G < 5S- 0 0 123 -3,-1.6 -1,-0.3 -7,-0.1 -2,-0.2 0.261 127.7 -98.8-100.4 9.5 15.5 9.0 -23.2 55 57 A G T < 5S+ 0 0 34 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.428 85.7 126.0 88.8 0.2 16.8 11.5 -20.6 56 58 A G S - 0 0 103 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.406 34.6-124.7 -66.3 143.9 26.5 0.7 -19.1 61 63 A E H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 109.9 49.1 -58.6 -43.5 23.9 -1.5 -17.3 62 64 A H H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 110.8 50.3 -64.0 -42.1 26.5 -3.4 -15.3 63 65 A L H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 111.3 49.3 -61.3 -43.1 28.3 -0.2 -14.3 64 66 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 111.4 47.9 -62.2 -48.1 25.0 1.3 -13.1 65 67 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.866 112.5 50.0 -61.2 -38.3 24.0 -1.7 -11.1 66 68 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 109.0 50.8 -67.4 -44.7 27.5 -1.8 -9.5 67 69 A I H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.887 107.8 54.5 -59.5 -40.7 27.3 1.9 -8.6 68 70 A M H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 109.6 46.8 -58.4 -42.8 23.9 1.3 -7.0 69 71 A S H X S+ 0 0 3 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.891 112.7 48.2 -69.3 -41.3 25.4 -1.4 -4.8 70 72 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.889 108.2 58.1 -62.6 -40.4 28.3 0.7 -3.8 71 73 A Y H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.952 107.8 43.6 -53.7 -56.7 25.9 3.5 -3.0 72 74 A G H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.832 113.3 52.8 -61.5 -34.4 23.9 1.5 -0.5 73 75 A A H X S+ 0 0 3 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.925 110.1 46.9 -66.3 -46.0 27.1 0.1 1.1 74 76 A L H X S+ 0 0 47 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.827 109.9 54.3 -66.1 -34.3 28.6 3.6 1.6 75 77 A V H X S+ 0 0 12 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.919 109.3 47.3 -65.5 -44.4 25.3 4.9 3.0 76 78 A Y H X S+ 0 0 66 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.884 114.2 46.9 -63.9 -40.3 25.3 2.1 5.7 77 79 A M H >X S+ 0 0 55 -4,-2.0 4,-1.4 1,-0.2 3,-0.8 0.804 104.3 62.8 -70.3 -29.6 29.0 2.8 6.5 78 80 A S H 3X S+ 0 0 13 -4,-1.7 4,-3.1 1,-0.3 -1,-0.2 0.788 92.7 63.9 -68.3 -28.2 28.3 6.5 6.7 79 81 A G H 3X S+ 0 0 14 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.3 0.795 100.8 52.1 -64.6 -29.6 25.9 5.9 9.6 80 82 A I H S+ 0 0 39 -4,-1.8 5,-3.4 2,-0.2 4,-1.8 0.860 111.2 42.8 -66.7 -38.9 30.2 12.8 14.8 86 88 A A H <>S+ 0 0 0 -4,-1.8 5,-1.4 4,-0.2 -1,-0.2 0.935 116.1 48.6 -70.6 -46.5 27.0 13.5 16.7 87 89 A D H <5S+ 0 0 66 -4,-1.9 131,-3.0 -5,-0.2 -2,-0.2 0.820 126.2 25.3 -62.9 -32.7 28.2 11.7 19.8 88 90 A R H <5S+ 0 0 36 -4,-2.0 132,-1.0 129,-0.2 -1,-0.2 0.620 138.3 1.3-113.5 -17.3 31.6 13.4 20.0 89 91 A V T <5S+ 0 0 61 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.613 125.2 31.9-138.4 -47.4 31.4 16.7 18.2 90 92 A F T < - 0 0 0 -5,-1.4 4,-1.5 -6,-0.4 -4,-0.2 -0.126 32.6 -89.4 95.2 153.3 25.2 16.5 18.9 92 94 A T H > S+ 0 0 12 123,-0.4 4,-2.0 1,-0.2 5,-0.1 0.895 124.3 50.1 -68.6 -40.7 22.4 14.5 17.4 93 95 A S H > S+ 0 0 10 120,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.888 113.6 44.6 -66.0 -40.8 20.1 17.5 16.7 94 96 A R H > S+ 0 0 99 119,-0.8 4,-2.2 -4,-0.2 -1,-0.2 0.794 111.1 55.4 -74.8 -27.9 22.8 19.5 15.0 95 97 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 118,-0.2 5,-0.2 0.882 105.5 51.8 -70.5 -39.2 23.8 16.5 13.0 96 98 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.909 111.6 47.6 -61.3 -43.4 20.3 16.0 11.7 97 99 A F H X S+ 0 0 55 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.943 116.3 41.0 -65.2 -50.9 20.2 19.6 10.5 98 100 A Y H X S+ 0 0 98 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 116.8 50.3 -65.2 -41.0 23.6 19.6 8.8 99 101 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.926 108.6 52.2 -61.6 -46.1 22.9 16.1 7.4 100 102 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.837 108.0 51.8 -59.5 -36.5 19.6 17.3 6.1 101 103 A L H X S+ 0 0 69 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.914 110.6 47.6 -66.0 -44.3 21.2 20.2 4.3 102 104 A L H X S+ 0 0 55 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.865 112.1 50.4 -64.8 -38.3 23.7 18.0 2.6 103 105 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.932 110.3 48.7 -64.5 -47.1 21.0 15.6 1.6 104 106 A M H X S+ 0 0 40 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.894 110.1 52.2 -61.4 -39.9 18.8 18.3 0.1 105 107 A A H X S+ 0 0 38 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.836 106.8 54.4 -63.8 -34.3 21.9 19.7 -1.8 106 108 A G H X S+ 0 0 0 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.894 107.9 47.7 -67.5 -41.7 22.5 16.2 -3.2 107 109 A H H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-0.5 0.840 108.1 56.1 -67.7 -35.1 18.9 15.9 -4.6 108 110 A I H X S+ 0 0 72 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.898 99.7 59.5 -62.9 -40.9 19.3 19.4 -6.1 109 111 A A H < S+ 0 0 14 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.772 112.3 40.1 -58.9 -28.1 22.4 18.2 -8.0 110 112 A L H < S+ 0 0 2 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.757 111.2 57.3 -88.3 -30.7 20.2 15.6 -9.6 111 113 A A H < S+ 0 0 26 -4,-1.9 -2,-0.2 76,-0.3 77,-0.2 0.879 97.9 70.0 -69.3 -40.1 17.2 17.9 -10.1 112 114 A I S < S- 0 0 90 -4,-2.6 2,-0.1 1,-0.1 6,-0.0 -0.435 105.4 -86.6 -75.0 152.4 19.2 20.4 -12.1 113 115 A P S S+ 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.404 74.2 121.3 -59.9 133.0 20.3 19.5 -15.7 114 116 A G - 0 0 39 -4,-0.1 2,-0.1 -2,-0.1 -4,-0.0 -0.977 46.2-120.2-177.4 177.9 23.6 17.6 -15.6 115 117 A G > - 0 0 37 -2,-0.3 4,-1.1 -58,-0.0 3,-0.2 0.010 60.4 -48.9-114.0-143.8 25.6 14.5 -16.5 116 118 A V H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.854 129.0 58.7 -67.6 -34.8 27.6 11.8 -14.8 117 119 A A H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 103.0 53.3 -62.3 -38.3 29.6 14.3 -12.8 118 120 A A H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.832 106.6 53.7 -64.8 -32.7 26.5 15.7 -11.2 119 121 A L H X S+ 0 0 1 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.902 107.0 49.7 -69.1 -42.2 25.5 12.1 -10.1 120 122 A F H X S+ 0 0 88 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.891 112.6 47.3 -63.9 -41.1 28.9 11.5 -8.4 121 123 A V H X S+ 0 0 80 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.918 111.8 51.1 -64.7 -44.1 28.6 14.8 -6.5 122 124 A S H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.916 108.9 51.4 -57.9 -46.1 25.0 14.0 -5.6 123 125 A M H X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.909 109.7 49.1 -57.5 -46.5 26.1 10.5 -4.3 124 126 A A H X S+ 0 0 61 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.883 112.5 47.8 -62.5 -40.3 28.8 12.1 -2.1 125 127 A L H X S+ 0 0 46 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.898 114.4 45.0 -69.5 -42.0 26.4 14.6 -0.6 126 128 A I H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.893 112.2 51.7 -69.9 -41.8 23.6 12.1 0.1 127 129 A V H X S+ 0 0 19 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.940 115.8 41.5 -59.5 -47.8 26.1 9.5 1.6 128 130 A L H X S+ 0 0 86 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.931 118.5 46.5 -64.2 -47.4 27.5 12.2 3.9 129 131 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.4 0.911 111.8 48.5 -63.3 -46.5 24.1 13.7 4.7 130 132 A T H X S+ 0 0 2 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.870 107.4 57.6 -63.9 -36.7 22.3 10.4 5.4 131 133 A G H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.837 112.3 40.8 -61.4 -33.9 25.2 9.3 7.7 132 134 A L H < S+ 0 0 7 -4,-1.2 4,-0.3 -3,-0.4 -2,-0.2 0.828 125.5 32.6 -83.2 -35.0 24.6 12.4 9.8 133 135 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.1 3,-0.3 0.945 108.1 59.0 -89.2 -56.1 20.8 12.4 9.8 134 136 A K H X S+ 0 0 62 -4,-1.7 4,-0.8 1,-0.2 -3,-0.1 0.869 113.0 33.0 -49.5 -56.0 19.6 8.8 9.7 135 137 A P H 4 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.806 121.0 51.0 -76.2 -22.3 21.2 7.2 12.8 136 138 A N H >> S+ 0 0 8 -3,-0.3 4,-0.9 -4,-0.3 3,-0.7 0.759 98.9 61.2 -86.4 -26.8 21.0 10.5 14.9 137 139 A V H 3X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.3 0.846 104.0 52.2 -67.3 -31.9 17.3 11.3 14.3 138 140 A S H 3< S+ 0 0 32 -4,-0.8 4,-0.5 -5,-0.3 -1,-0.2 0.556 102.8 60.3 -80.0 -9.2 16.4 8.0 16.0 139 141 A S H <> S+ 0 0 55 -3,-0.7 4,-0.7 2,-0.1 -1,-0.2 0.756 99.6 55.8 -85.0 -28.0 18.6 9.0 19.0 140 142 A I H >X S+ 0 0 0 -4,-0.9 4,-0.8 -3,-0.3 3,-0.6 0.845 96.2 62.1 -74.7 -35.9 16.6 12.1 19.7 141 143 A V H >X S+ 0 0 0 -4,-0.9 3,-0.8 1,-0.3 4,-0.6 0.866 100.3 55.4 -60.9 -35.9 13.2 10.3 20.0 142 144 A G H >4 S+ 0 0 7 -4,-0.5 3,-0.7 1,-0.2 -1,-0.3 0.828 99.8 61.5 -63.4 -32.9 14.6 8.4 23.0 143 145 A D H << S+ 0 0 34 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.743 94.0 63.3 -65.8 -25.1 15.5 11.7 24.7 144 146 A M H << S+ 0 0 0 -3,-0.8 2,-0.5 -4,-0.8 -1,-0.2 0.794 93.0 71.7 -72.8 -27.6 11.8 12.8 24.8 145 147 A Y S << S- 0 0 7 -3,-0.7 3,-0.1 -4,-0.6 -137,-0.1 -0.803 77.8-137.4 -98.0 124.0 10.8 9.9 27.1 146 148 A K > - 0 0 38 -2,-0.5 3,-1.7 1,-0.1 6,-0.2 -0.373 43.3 -82.2 -68.1 153.7 11.8 9.9 30.7 147 149 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.350 118.1 30.9 -61.0 137.2 12.9 6.5 32.1 148 150 A G T 3 S+ 0 0 77 1,-0.3 2,-0.5 -3,-0.1 -2,-0.1 0.265 82.8 137.4 97.8 -9.8 10.0 4.3 33.1 149 151 A D X - 0 0 44 -3,-1.7 3,-1.1 1,-0.1 -1,-0.3 -0.596 42.9-159.4 -73.1 119.4 7.8 5.7 30.5 150 152 A D T 3 S+ 0 0 158 -2,-0.5 4,-0.4 1,-0.2 -1,-0.1 0.398 85.2 73.5 -81.0 3.6 5.9 2.8 28.8 151 153 A R T 3> S+ 0 0 56 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 0.578 75.5 84.7 -87.3 -12.0 5.2 5.0 25.8 152 154 A R H <> S+ 0 0 98 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.926 90.0 43.8 -56.7 -53.8 8.8 4.7 24.7 153 155 A D H > S+ 0 0 131 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.879 116.4 48.5 -60.7 -39.4 8.4 1.4 22.9 154 156 A A H > S+ 0 0 44 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.850 108.9 54.5 -68.9 -35.3 5.2 2.6 21.3 155 157 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.910 109.9 44.9 -65.0 -44.6 6.9 5.8 20.3 156 158 A F H X S+ 0 0 36 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.861 110.2 56.2 -66.1 -37.3 9.8 4.1 18.5 157 159 A S H X S+ 0 0 73 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.906 110.6 43.8 -61.8 -42.8 7.3 1.7 16.8 158 160 A I H X S+ 0 0 59 -4,-2.0 4,-0.9 2,-0.2 3,-0.4 0.920 112.4 53.0 -67.5 -44.6 5.4 4.7 15.4 159 161 A F H >X S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.889 109.0 48.9 -56.6 -43.5 8.6 6.4 14.4 160 162 A Y H 3X S+ 0 0 109 -4,-2.5 4,-1.3 1,-0.2 3,-0.5 0.728 98.9 68.5 -72.1 -22.3 9.8 3.4 12.5 161 163 A M H 3X S+ 0 0 79 -4,-0.9 4,-2.5 -3,-0.4 -1,-0.2 0.827 93.0 59.4 -64.8 -31.9 6.5 3.1 10.7 162 164 A G H X S+ 0 0 59 -4,-2.4 4,-1.6 1,-0.2 3,-0.7 0.827 101.9 69.2 -75.6 -35.6 4.8 5.8 -1.1 170 172 A A H 3X>S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.3 5,-1.6 0.889 97.3 47.8 -58.4 -48.7 8.0 7.1 -2.8 171 173 A P H 345S+ 0 0 2 0, 0.0 5,-0.3 0, 0.0 -1,-0.3 0.770 113.1 52.2 -65.6 -20.1 8.2 4.8 -5.8 172 174 A L H <45S+ 0 0 63 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.781 124.8 24.0 -81.9 -28.5 4.6 5.5 -6.4 173 175 A V H X5S+ 0 0 72 -4,-1.6 4,-2.0 -3,-0.4 5,-0.2 0.878 134.7 29.6 -99.8 -62.5 5.0 9.3 -6.4 174 176 A V H X5S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.871 123.0 52.5 -67.2 -37.7 8.6 10.0 -7.3 175 177 A G H >>S+ 0 0 44 -5,-0.3 4,-2.6 -6,-0.2 5,-0.5 0.940 114.8 45.4 -61.8 -49.4 5.8 7.7 -11.4 177 179 A A H X>S+ 0 0 10 -4,-2.0 5,-1.7 1,-0.2 4,-1.1 0.871 115.8 47.6 -62.9 -38.4 6.8 11.3 -12.1 178 180 A G H <5S+ 0 0 2 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.884 120.3 34.5 -72.0 -40.7 10.4 10.3 -12.9 179 181 A M H <5S+ 0 0 40 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.904 123.2 40.8 -82.8 -44.9 9.6 7.5 -15.3 180 182 A K H <5S+ 0 0 74 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.898 133.9 10.6 -73.9 -41.8 6.4 8.8 -17.0 181 183 A Y T << - 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0 0 40 -7,-2.3 -7,-0.0 -2,-0.7 -6,-0.0 -0.445 17.7-122.8 -68.6 141.3 3.1 -0.9 -15.0 332 334 A S > - 0 0 11 -2,-0.1 3,-1.5 1,-0.1 4,-0.4 -0.751 10.0-138.6 -87.1 131.7 6.1 1.3 -14.0 333 335 A P G > S+ 0 0 5 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.765 102.3 62.0 -60.4 -27.1 9.3 -0.7 -13.2 334 336 A A G > S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.732 87.3 73.7 -70.8 -22.3 10.0 1.6 -10.3 335 337 A W G X S+ 0 0 81 -3,-1.5 3,-1.9 1,-0.3 4,-0.3 0.761 80.1 72.0 -64.3 -24.6 6.7 0.5 -8.6 336 338 A F G X S+ 0 0 12 -3,-0.9 3,-1.0 -4,-0.4 4,-0.5 0.689 83.7 69.6 -65.9 -17.0 8.2 -2.9 -7.7 337 339 A Q G < S+ 0 0 26 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.616 90.5 61.9 -74.6 -12.1 10.3 -1.1 -5.1 338 340 A S G <> S+ 0 0 6 -3,-1.9 4,-1.9 -4,-0.2 -1,-0.2 0.587 86.4 78.0 -84.8 -12.2 7.1 -0.5 -3.2 339 341 A L H <> S+ 0 0 28 -3,-1.0 4,-2.5 -4,-0.3 5,-0.3 0.932 88.8 51.1 -66.2 -49.0 6.6 -4.3 -2.8 340 342 A N H > S+ 0 0 29 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.929 114.3 41.2 -57.3 -51.1 9.2 -4.9 -0.0 341 343 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.906 113.8 54.8 -66.7 -36.0 7.9 -2.2 2.4 342 344 A L H X S+ 0 0 52 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.932 109.7 45.1 -58.0 -50.3 4.2 -3.1 1.6 343 345 A F H X S+ 0 0 27 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.840 111.9 53.9 -64.7 -33.9 4.7 -6.7 2.5 344 346 A I H X S+ 0 0 18 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.935 107.0 50.6 -64.6 -46.9 6.6 -5.8 5.6 345 347 A I H < S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 118.7 37.8 -57.4 -43.2 3.7 -3.5 6.8 346 348 A I H X S+ 0 0 96 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.932 122.2 39.6 -75.5 -47.4 1.1 -6.2 6.3 347 349 A L H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.771 96.4 76.7 -80.8 -28.8 3.1 -9.3 7.4 348 350 A A H X S+ 0 0 37 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.873 96.6 47.1 -54.3 -43.6 5.0 -7.9 10.4 349 351 A P H > S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.871 111.9 52.9 -65.0 -31.7 2.0 -7.9 12.8 350 352 A V H X S+ 0 0 79 -4,-0.5 4,-1.7 -3,-0.4 -2,-0.2 0.903 109.7 47.2 -67.9 -42.1 1.2 -11.5 11.6 351 353 A F H X S+ 0 0 22 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.893 110.4 52.9 -64.2 -41.8 4.7 -12.7 12.4 352 354 A A H X S+ 0 0 53 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.913 109.7 48.0 -60.2 -45.2 4.6 -11.0 15.8 353 355 A W H X S+ 0 0 181 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.843 110.1 54.3 -63.4 -34.5 1.4 -12.8 16.6 354 356 A M H X S+ 0 0 65 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.924 107.5 47.9 -66.5 -45.6 3.0 -16.0 15.4 355 357 A W H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 7,-0.2 0.893 113.8 48.3 -62.5 -40.3 6.0 -15.7 17.8 356 358 A V H < S+ 0 0 117 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.927 112.6 47.9 -64.1 -45.8 3.7 -14.9 20.7 357 359 A K H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.3 49.8 -63.9 -36.0 1.4 -17.9 19.8 358 360 A L H >< S+ 0 0 60 -4,-2.4 3,-2.1 1,-0.2 2,-0.3 0.895 81.2 162.0 -70.1 -41.5 4.5 -20.2 19.5 359 361 A G G >< S+ 0 0 38 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 -0.396 72.5 3.4 62.0-118.1 5.9 -19.0 22.9 360 362 A K G 3 S+ 0 0 98 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.735 131.0 61.9 -71.6 -22.8 8.5 -21.5 24.1 361 363 A R G < S+ 0 0 212 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.479 79.8 114.6 -83.4 -2.3 8.1 -23.5 20.9 362 364 A Q S < S- 0 0 74 -3,-1.1 -7,-0.1 -7,-0.2 -6,-0.0 -0.318 77.8 -95.9 -67.1 150.4 9.3 -20.6 18.8 363 365 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.295 41.7-111.1 -63.4 152.4 12.6 -21.0 16.9 364 366 A T > - 0 0 62 -3,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.233 33.6 -96.8 -76.3 172.7 15.7 -19.6 18.6 365 367 A I H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.916 125.0 47.4 -59.4 -46.6 17.6 -16.6 17.2 366 368 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.867 111.8 52.2 -64.9 -30.7 20.2 -18.6 15.3 367 369 A Q H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.830 106.7 52.5 -71.1 -31.5 17.4 -20.7 13.9 368 370 A K H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.809 105.8 54.9 -72.3 -30.4 15.6 -17.5 12.7 369 371 A F H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.892 110.3 46.5 -63.3 -41.4 18.8 -16.5 11.0 370 372 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.911 109.8 52.2 -69.0 -44.3 18.7 -19.8 9.1 371 373 A L H X S+ 0 0 50 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.904 108.8 51.2 -57.4 -43.9 15.1 -19.5 8.2 372 374 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.894 110.9 48.7 -59.7 -40.5 15.7 -16.0 6.8 373 375 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.853 109.3 51.9 -69.6 -37.7 18.6 -17.4 4.7 374 376 A L H X S+ 0 0 36 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.907 111.6 46.5 -65.7 -43.0 16.5 -20.3 3.4 375 377 A F H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 110.7 52.7 -66.2 -42.1 13.7 -18.0 2.3 376 378 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.921 111.2 46.1 -58.9 -46.5 16.1 -15.6 0.6 377 379 A G H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.868 110.5 54.5 -64.4 -37.1 17.7 -18.4 -1.3 378 380 A L H X S+ 0 0 71 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.866 100.3 60.1 -63.4 -37.6 14.3 -19.7 -2.3 379 381 A S H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.826 106.5 46.9 -63.2 -32.1 13.3 -16.3 -3.7 380 382 A F H X S+ 0 0 1 -4,-1.0 4,-1.2 -3,-0.3 -1,-0.2 0.792 109.8 53.2 -77.7 -30.4 16.1 -16.6 -6.2 381 383 A I H X S+ 0 0 57 -4,-1.3 4,-0.9 2,-0.2 3,-0.2 0.917 110.9 46.8 -68.3 -43.3 15.2 -20.1 -7.1 382 384 A V H < S+ 0 0 26 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.897 108.6 56.3 -62.9 -40.6 11.6 -19.0 -7.8 383 385 A I H X S+ 0 0 0 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.797 104.3 51.4 -67.6 -29.3 12.8 -16.0 -9.8 384 386 A L H X S+ 0 0 22 -4,-1.2 4,-1.8 -3,-0.2 -1,-0.2 0.778 93.5 77.7 -77.6 -26.2 14.9 -18.1 -12.3 385 387 A V H X S+ 0 0 43 -4,-0.9 4,-2.8 -3,-0.5 5,-0.3 0.897 90.1 47.3 -53.4 -54.1 12.0 -20.5 -13.1 386 388 A P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.907 115.1 45.7 -61.2 -42.4 9.9 -18.4 -15.5 387 389 A G H < S+ 0 0 16 -4,-0.5 -2,-0.2 1,-0.2 -3,-0.1 0.807 114.6 50.8 -66.1 -29.8 12.9 -17.3 -17.6 388 390 A H H < S+ 0 0 123 -4,-1.8 -1,-0.2 -3,-0.1 -3,-0.2 0.883 113.1 42.9 -74.4 -41.0 14.1 -20.9 -17.6 389 391 A L H < S+ 0 0 132 -4,-2.8 2,-0.2 -5,-0.2 -2,-0.2 0.896 104.5 73.3 -73.7 -41.6 10.7 -22.4 -18.7 390 392 A S S < S- 0 0 39 -4,-2.5 3,-0.1 -5,-0.3 5,-0.0 -0.517 80.0-136.6 -74.0 140.7 10.1 -19.8 -21.4 391 393 A G S S- 0 0 95 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.842 74.9 -51.9 -63.6 -33.4 12.2 -20.0 -24.5 392 394 A G S S+ 0 0 51 2,-0.1 -1,-0.2 -3,-0.0 -4,-0.0 -0.962 89.8 79.8-178.6-170.0 12.6 -16.2 -24.3 393 395 A G S S- 0 0 54 -2,-0.3 -3,-0.1 -3,-0.1 -70,-0.1 -0.060 81.8 -31.7 80.3 178.3 10.8 -12.9 -24.0 394 396 A L - 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