==== 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 4IKX . COMPND 2 MOLECULE: DI-TRIPEPTIDE ABC TRANSPORTER (PERMEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.DOKI,H.E.KATO,R.ISHITANI,O.NUREKI . 488 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 82.0 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 . 5 1.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 318 65.2 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 1 0 2 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 2 1 1 0 2 4 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 76 0, 0.0 216,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 22.0 29.3 19.1 28.5 2 3 A S - 0 0 83 216,-0.5 2,-0.3 214,-0.1 3,-0.0 -0.469 360.0-146.5 -68.9 137.1 26.9 16.3 29.1 3 4 A I - 0 0 55 -2,-0.2 5,-0.1 209,-0.1 213,-0.0 -0.795 26.7 -88.6-110.0 149.3 23.6 17.4 30.7 4 5 A D > - 0 0 100 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.298 32.2-138.2 -54.3 129.8 21.4 15.6 33.2 5 6 A K H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.835 103.4 52.4 -64.2 -35.7 18.9 13.4 31.3 6 7 A Q H > S+ 0 0 125 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.870 111.5 48.2 -66.1 -36.4 16.0 14.4 33.7 7 8 A Q H > S+ 0 0 119 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.868 110.5 50.5 -71.8 -38.4 16.9 18.0 33.1 8 9 A I H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 204,-0.5 0.926 112.2 46.4 -64.3 -45.8 17.0 17.6 29.3 9 10 A A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.747 103.4 65.5 -68.3 -23.9 13.6 15.8 29.2 10 11 A A H 3< S+ 0 0 74 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.755 97.5 53.9 -69.6 -25.1 12.3 18.6 31.5 11 12 A S T << S+ 0 0 45 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.446 96.9 85.6 -87.2 -1.4 12.8 21.1 28.7 12 13 A V S < S- 0 0 5 -3,-1.1 198,-0.1 -4,-0.2 197,-0.1 -0.891 85.8-119.6-105.6 126.0 10.8 18.9 26.3 13 14 A P - 0 0 39 0, 0.0 10,-0.5 0, 0.0 9,-0.3 -0.418 22.9-149.7 -57.0 135.9 7.0 19.1 26.2 14 15 A Q + 0 0 51 7,-0.2 2,-0.3 8,-0.1 3,-0.1 0.547 66.7 35.9 -95.6 -9.2 5.7 15.7 27.2 15 16 A R + 0 0 190 1,-0.1 7,-0.8 6,-0.1 8,-0.1 -0.837 60.6 93.5-135.7 172.6 2.4 15.5 25.2 16 17 A G E S+A 21 0A 62 -2,-0.3 2,-0.2 5,-0.2 -1,-0.1 0.409 78.7 66.9 124.3 2.4 0.9 16.5 21.9 17 18 A F E > S-A 20 0A 32 3,-1.6 3,-1.4 -3,-0.1 7,-0.1 -0.596 122.4 -43.9-156.3 87.1 1.4 13.5 19.6 18 19 A F T 3 S- 0 0 172 1,-0.3 -3,-0.0 -2,-0.2 4,-0.0 0.857 117.5 -48.8 57.4 39.9 -0.4 10.2 20.3 19 20 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 0, 0.0 3,-0.1 0.474 124.3 105.0 80.4 2.0 0.3 10.5 24.1 20 21 A H E < S-A 17 0A 15 -3,-1.4 -3,-1.6 1,-0.1 -1,-0.3 -0.717 83.2 -78.0-110.0 161.6 4.0 11.2 23.2 21 22 A P E >> -A 16 0A 0 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.157 38.6-117.9 -52.6 150.8 6.0 14.4 23.3 22 23 A K H >> S+ 0 0 30 -7,-0.8 4,-1.4 -9,-0.3 3,-0.5 0.767 111.6 71.5 -61.9 -26.4 5.5 16.9 20.4 23 24 A G H 3> S+ 0 0 0 186,-0.5 4,-2.6 -10,-0.5 -1,-0.3 0.785 86.4 63.3 -61.3 -29.5 9.2 16.3 19.6 24 25 A L H <> S+ 0 0 0 -3,-1.3 4,-3.1 2,-0.2 -1,-0.2 0.903 101.5 51.0 -62.1 -41.7 8.4 12.8 18.4 25 26 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.9 0.887 113.0 50.9 -61.0 -41.2 16.3 8.9 -5.3 42 43 A R H 3X S+ 0 0 20 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.784 98.0 67.2 -68.4 -28.1 17.6 5.3 -5.2 43 44 A A H 3< S+ 0 0 3 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.715 119.1 20.1 -67.6 -20.5 14.6 3.9 -6.9 44 45 A I H S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 11,-0.2 0.890 108.3 58.2 -68.5 -39.8 18.0 3.6 -14.2 48 49 A Y H < S+ 0 0 3 -4,-2.8 10,-2.1 1,-0.2 11,-0.2 0.794 107.0 50.5 -60.2 -28.5 19.2 7.2 -14.6 49 50 A M H < S+ 0 0 0 -4,-1.3 11,-2.9 8,-0.2 -1,-0.2 0.935 119.8 27.3 -78.7 -48.7 22.8 6.0 -14.9 50 51 A Y H < S+ 0 0 22 -4,-1.5 -2,-0.2 9,-0.2 12,-0.1 0.564 94.1 105.8 -98.0 -8.4 22.5 3.3 -17.6 51 52 A Y S < S- 0 0 42 -4,-2.0 8,-2.0 -5,-0.2 9,-0.2 -0.260 84.7 -82.2 -63.1 158.4 19.5 4.6 -19.6 52 53 A E > > - 0 0 116 6,-0.1 5,-2.9 1,-0.1 3,-1.0 -0.251 29.0-125.4 -61.2 149.3 20.2 6.2 -23.0 53 54 A V G > 5S+ 0 0 107 1,-0.3 3,-1.6 3,-0.2 -1,-0.1 0.875 115.5 55.4 -60.8 -38.1 21.2 9.9 -23.1 54 55 A S G 3 5S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.604 104.6 54.9 -71.7 -11.8 18.3 10.5 -25.5 55 56 A K G < 5S- 0 0 126 -3,-1.0 -1,-0.3 -7,-0.1 -2,-0.2 0.180 128.8 -97.5-102.9 13.9 16.1 8.9 -22.8 56 57 A G T < 5S+ 0 0 29 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.480 87.5 126.8 84.2 3.2 17.3 11.4 -20.2 57 58 A G S - 0 0 99 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.377 34.4-127.7 -63.4 141.9 27.7 1.2 -18.7 62 63 A E H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 108.1 47.8 -59.3 -46.0 25.1 -1.2 -17.0 63 64 A H H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.844 112.8 49.3 -67.0 -33.7 27.7 -3.0 -14.9 64 65 A L H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 110.9 50.3 -70.1 -41.1 29.3 0.3 -13.8 65 66 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.932 112.1 46.0 -61.4 -48.1 25.9 1.7 -12.9 66 67 A L H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.848 111.7 53.2 -64.6 -34.2 25.0 -1.4 -10.8 67 68 A A H X S+ 0 0 8 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.864 107.2 51.3 -68.7 -37.4 28.4 -1.3 -9.2 68 69 A I H X S+ 0 0 12 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.914 108.8 50.4 -65.5 -44.1 27.9 2.3 -8.2 69 70 A M H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.841 107.2 56.8 -61.3 -34.7 24.5 1.6 -6.6 70 71 A S H X S+ 0 0 3 -4,-1.5 4,-0.6 1,-0.2 3,-0.4 0.928 107.6 44.3 -64.3 -47.2 26.1 -1.3 -4.6 71 72 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.625 94.0 85.0 -75.3 -12.9 28.8 0.7 -2.9 72 73 A Y H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.3 -1,-0.2 0.930 92.3 41.9 -56.5 -53.7 26.3 3.5 -2.1 73 74 A G H X S+ 0 0 10 -4,-0.6 4,-1.6 -3,-0.4 -1,-0.2 0.826 112.8 55.8 -63.9 -32.8 25.0 2.0 1.2 74 75 A A H X S+ 0 0 0 -4,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.879 106.6 49.5 -67.1 -39.0 28.5 1.0 2.1 75 76 A L H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.862 107.2 55.3 -67.8 -36.2 29.8 4.6 1.8 76 77 A V H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.888 106.3 52.1 -62.5 -39.9 26.9 5.7 4.0 77 78 A Y H X S+ 0 0 46 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.941 110.5 45.7 -61.2 -50.4 27.9 3.3 6.7 78 79 A M H X S+ 0 0 62 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.830 114.1 50.7 -63.4 -32.2 31.5 4.6 6.7 79 80 A S H X S+ 0 0 13 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.873 106.1 55.1 -70.3 -38.4 30.1 8.1 6.7 80 81 A G H X S+ 0 0 17 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.782 102.4 57.3 -65.7 -29.1 27.8 7.2 9.6 81 82 A I H X S+ 0 0 76 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.924 112.3 40.5 -64.8 -45.8 30.9 6.1 11.6 82 83 A I H X S+ 0 0 105 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.924 113.1 53.8 -69.0 -45.9 32.4 9.5 11.2 83 84 A G H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.762 105.2 55.5 -62.0 -27.5 29.2 11.4 11.8 84 85 A G H X S+ 0 0 26 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.900 110.1 44.6 -70.3 -42.1 28.7 9.6 15.0 85 86 A W H X S+ 0 0 115 -4,-1.3 4,-1.7 -3,-0.2 5,-0.2 0.861 112.2 53.5 -68.8 -37.4 32.0 10.7 16.3 86 87 A L H X>S+ 0 0 43 -4,-2.4 5,-2.7 2,-0.2 4,-2.5 0.916 112.8 41.9 -64.5 -45.4 31.4 14.2 15.1 87 88 A A H <>S+ 0 0 0 -4,-1.9 5,-0.9 4,-0.2 -2,-0.2 0.907 117.1 47.5 -68.6 -42.1 28.1 14.6 16.9 88 89 A D H <5S+ 0 0 68 -4,-2.0 131,-2.6 -5,-0.2 -1,-0.2 0.785 129.7 20.6 -70.1 -27.2 29.3 12.9 20.1 89 90 A R H <5S+ 0 0 40 -4,-1.7 132,-0.4 129,-0.2 -2,-0.2 0.548 136.4 11.5-123.4 -12.3 32.5 14.9 20.3 90 91 A V T <5S+ 0 0 60 -4,-2.5 -3,-0.2 -5,-0.2 -4,-0.1 0.626 124.7 21.8-131.0 -60.8 32.1 18.1 18.2 91 92 A F T < - 0 0 0 -5,-0.9 4,-2.0 -6,-0.4 5,-0.2 -0.111 34.5 -84.4 94.4 155.6 26.0 17.5 19.0 93 94 A T H > S+ 0 0 13 123,-0.4 4,-1.8 1,-0.2 122,-0.1 0.831 126.4 52.4 -68.3 -32.4 23.2 15.4 17.5 94 95 A S H > S+ 0 0 2 120,-2.0 4,-1.9 122,-0.2 -1,-0.2 0.914 112.9 43.1 -71.3 -42.7 20.9 18.4 16.8 95 96 A R H > S+ 0 0 127 119,-0.6 4,-2.8 -4,-0.3 5,-0.3 0.862 113.0 53.3 -70.2 -36.2 23.6 20.4 14.9 96 97 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.869 109.0 49.3 -65.7 -38.3 24.7 17.2 13.0 97 98 A V H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 113.6 47.0 -65.2 -43.7 21.1 16.6 11.9 98 99 A F H X S+ 0 0 53 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.970 116.6 41.1 -62.1 -57.2 20.8 20.2 10.7 99 100 A Y H X S+ 0 0 80 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.868 114.8 53.8 -60.0 -38.9 24.1 20.3 8.8 100 101 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.913 106.0 52.3 -61.4 -44.5 23.4 16.8 7.5 101 102 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.850 108.3 51.4 -60.9 -37.1 20.1 17.8 6.2 102 103 A L H X S+ 0 0 68 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.939 111.3 45.7 -65.4 -49.0 21.6 20.7 4.3 103 104 A L H X S+ 0 0 58 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.882 114.7 49.3 -62.3 -39.7 24.3 18.6 2.6 104 105 A I H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 111.7 47.1 -64.3 -48.9 21.7 16.0 1.7 105 106 A M H X S+ 0 0 36 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.865 112.0 51.4 -62.8 -36.3 19.2 18.5 0.3 106 107 A A H X S+ 0 0 40 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.844 106.7 56.1 -66.5 -34.1 22.1 20.1 -1.7 107 108 A G H X S+ 0 0 0 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.912 107.8 46.0 -63.8 -44.8 22.9 16.6 -2.9 108 109 A H H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-1.2 0.889 108.4 56.4 -66.0 -41.4 19.5 16.0 -4.4 109 110 A I H 3X S+ 0 0 73 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.883 98.9 61.3 -57.2 -39.6 19.4 19.5 -6.0 110 111 A A H 3< S+ 0 0 14 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.730 111.3 39.8 -61.1 -22.9 22.6 18.6 -7.8 111 112 A L H << S+ 0 0 2 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.706 112.1 56.3 -93.9 -27.2 20.6 15.8 -9.5 112 113 A A H < S+ 0 0 24 -4,-1.8 -2,-0.2 76,-0.3 77,-0.2 0.871 97.6 71.9 -73.2 -38.6 17.5 17.9 -9.9 113 114 A I S < S- 0 0 86 -4,-2.8 2,-0.2 -5,-0.1 6,-0.0 -0.399 107.1 -82.2 -74.0 153.9 19.3 20.6 -11.9 114 115 A P S S+ 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.424 79.0 119.2 -58.7 122.6 20.4 19.8 -15.5 115 116 A G - 0 0 40 -2,-0.2 2,-0.1 -4,-0.2 -4,-0.0 -0.937 43.1-138.9-167.0-174.4 23.8 18.0 -15.3 116 117 A G > - 0 0 31 -2,-0.3 4,-1.3 -58,-0.0 3,-0.3 -0.230 61.0 -33.5-133.3-140.0 25.7 14.8 -16.1 117 118 A V H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.883 131.5 53.3 -60.0 -42.7 28.2 12.3 -14.7 118 119 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 106.8 53.7 -62.0 -33.9 30.1 15.0 -12.8 119 120 A A H > S+ 0 0 20 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.813 105.8 53.9 -69.1 -30.9 26.8 16.0 -11.2 120 121 A L H X S+ 0 0 7 -4,-1.3 4,-2.6 -3,-0.3 5,-0.2 0.940 108.0 48.2 -67.6 -50.4 26.2 12.4 -10.1 121 122 A F H X S+ 0 0 145 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.924 113.8 47.0 -55.1 -49.9 29.6 12.3 -8.3 122 123 A V H X S+ 0 0 73 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.920 111.9 51.2 -59.4 -46.0 29.0 15.6 -6.5 123 124 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 110.6 47.2 -58.7 -48.7 25.5 14.5 -5.5 124 125 A M H X S+ 0 0 21 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.920 111.5 51.2 -59.6 -46.4 26.6 11.2 -4.1 125 126 A A H X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.912 112.2 46.0 -58.7 -46.1 29.4 12.8 -2.1 126 127 A L H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.914 115.6 46.4 -63.7 -43.7 27.1 15.4 -0.6 127 128 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.897 111.6 51.5 -67.9 -40.9 24.5 12.8 0.3 128 129 A V H X S+ 0 0 18 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.960 115.0 41.6 -58.3 -53.2 27.1 10.4 1.8 129 130 A L H X S+ 0 0 99 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.890 118.1 47.7 -62.2 -41.4 28.5 13.1 4.0 130 131 A G H >X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 3,-0.6 0.903 110.7 49.3 -67.5 -43.6 25.1 14.4 4.9 131 132 A T H 3X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.841 104.3 60.2 -66.8 -34.1 23.5 11.0 5.7 132 133 A G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.775 112.2 39.5 -63.1 -26.8 26.5 10.2 7.9 133 134 A L H << S+ 0 0 16 -4,-0.7 4,-0.3 -3,-0.6 -2,-0.2 0.764 124.0 39.4 -90.6 -31.1 25.6 13.2 10.0 134 135 A L H >X S+ 0 0 1 -4,-1.9 4,-1.7 -34,-0.1 3,-0.7 0.974 109.2 52.1 -80.8 -64.6 21.8 12.7 9.8 135 136 A K H 3X S+ 0 0 74 -4,-2.1 4,-0.5 1,-0.2 3,-0.2 0.831 112.8 35.8 -50.6 -55.5 21.1 9.0 10.0 136 137 A P H 34 S+ 0 0 48 0, 0.0 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39.0 -12.9 28.8 285 286 A A H > S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.846 123.9 51.6 -67.4 -35.4 39.4 -16.5 27.6 286 287 A E H > S+ 0 0 134 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.865 108.1 52.7 -66.7 -36.9 35.7 -17.0 27.6 287 288 A E H > S+ 0 0 21 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.817 103.7 55.7 -71.5 -31.7 35.3 -13.9 25.4 288 289 A R H X S+ 0 0 78 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.863 106.0 51.9 -67.4 -35.9 37.8 -15.1 22.8 289 290 A S H X S+ 0 0 68 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.828 108.1 52.2 -67.2 -32.1 35.7 -18.3 22.4 290 291 A R H X S+ 0 0 55 -4,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.739 104.5 56.6 -76.0 -23.8 32.7 -16.1 21.9 291 292 A V H X S+ 0 0 5 -4,-1.2 4,-0.9 2,-0.2 3,-0.4 0.916 107.9 46.8 -70.0 -44.8 34.6 -14.2 19.2 292 293 A I H >< S+ 0 0 89 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.894 110.6 53.4 -61.4 -40.9 35.2 -17.4 17.3 293 294 A A H 3X S+ 0 0 10 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.742 104.6 56.0 -67.3 -23.7 31.6 -18.3 17.7 294 295 A Y H 3X S+ 0 0 5 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.705 88.8 78.7 -82.3 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22.5 -8.9 3.2 306 307 A A H X S+ 0 0 10 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.937 110.5 35.2 -61.1 -46.8 24.4 -9.6 -0.0 307 308 A I H < S+ 0 0 1 -4,-1.2 3,-0.5 -3,-0.5 4,-0.3 0.903 118.2 52.2 -72.9 -42.9 21.3 -11.2 -1.5 308 309 A Q H >< S+ 0 0 26 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.911 109.2 48.3 -61.8 -45.3 18.9 -8.7 0.2 309 310 A Q H >< S+ 0 0 33 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.658 97.8 70.1 -73.1 -15.9 20.7 -5.6 -1.1 310 311 A Q G ><>S+ 0 0 0 -4,-0.6 5,-3.2 -3,-0.5 3,-0.7 0.580 80.2 78.3 -76.1 -8.3 20.8 -7.0 -4.6 311 312 A G G < 5S+ 0 0 6 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.688 97.8 43.4 -69.3 -18.9 17.1 -6.4 -4.7 312 313 A S G < 5S+ 0 0 18 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.2 0.375 130.4 22.5-105.8 0.1 17.9 -2.7 -5.2 313 314 A T T <>5S+ 0 0 2 -3,-0.7 4,-2.1 -4,-0.1 5,-0.2 0.528 131.0 25.2-124.5 -79.9 20.6 -3.4 -7.8 314 315 A I H >5S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -3,-0.2 0.914 129.4 43.9 -58.1 -46.9 20.6 -6.7 -9.7 315 316 A L H > S+ 0 0 2 -6,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.918 109.3 44.2 -64.1 -43.9 16.2 -3.6 -10.1 317 318 A N H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 5,-0.4 0.823 108.9 58.1 -68.2 -32.5 17.9 -4.3 -13.4 318 319 A Y H X>S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 5,-0.6 0.875 104.9 50.3 -64.5 -38.4 15.9 -7.5 -13.7 319 320 A A H <5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.741 115.0 44.9 -69.8 -23.5 12.7 -5.6 -13.5 320 321 A D H <5S+ 0 0 30 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.756 129.9 17.9 -92.1 -28.7 13.9 -3.2 -16.2 321 322 A K H <5S+ 0 0 103 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.787 131.6 31.1-112.9 -42.4 15.3 -5.8 -18.7 322 323 A R T <5S+ 0 0 44 -4,-1.5 72,-2.5 -5,-0.4 2,-0.4 0.357 98.8 88.5-107.8 4.0 13.9 -9.3 -18.0 323 324 A T B - 0 0 7 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.871 13.8-135.5 -98.4 135.3 7.0 0.8 -13.5 333 335 A P G > S+ 0 0 11 0, 0.0 3,-0.8 0, 0.0 -14,-0.1 0.756 104.5 59.4 -61.5 -25.6 10.3 -1.0 -12.8 334 336 A A G > S+ 0 0 0 1,-0.2 3,-1.7 -158,-0.2 4,-0.1 0.704 86.9 76.5 -75.4 -20.6 11.0 1.3 -9.8 335 337 A W G X S+ 0 0 78 -3,-1.5 3,-1.5 1,-0.3 4,-0.3 0.703 78.9 72.0 -64.2 -20.4 7.8 0.2 -8.1 336 338 A F G X S+ 0 0 10 -3,-0.8 3,-0.7 -4,-0.3 4,-0.5 0.639 82.4 70.8 -71.9 -13.3 9.5 -3.1 -7.1 337 339 A Q G < S+ 0 0 37 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.537 89.9 62.9 -78.4 -6.7 11.5 -1.2 -4.6 338 340 A S G <> S+ 0 0 4 -3,-1.5 4,-2.0 2,-0.1 -1,-0.2 0.645 85.8 75.4 -88.2 -17.9 8.3 -0.8 -2.6 339 341 A L H <> S+ 0 0 26 -3,-0.7 4,-3.2 -4,-0.3 5,-0.3 0.909 89.9 53.1 -64.1 -47.5 7.9 -4.5 -2.0 340 342 A N H > S+ 0 0 28 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.922 115.5 38.5 -58.5 -48.6 10.6 -5.0 0.6 341 343 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.854 117.2 53.6 -70.8 -29.7 9.3 -2.3 3.0 342 344 A L H X S+ 0 0 52 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.941 110.0 44.7 -65.8 -49.7 5.7 -3.3 2.2 343 345 A F H X S+ 0 0 31 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.836 112.7 53.0 -65.6 -33.7 6.1 -6.9 3.0 344 346 A I H X S+ 0 0 16 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.939 106.3 52.2 -65.8 -47.4 8.0 -6.0 6.2 345 347 A I H < S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 119.1 36.4 -55.4 -41.1 5.3 -3.7 7.4 346 348 A I H X S+ 0 0 98 -4,-1.7 4,-0.6 1,-0.1 -2,-0.2 0.909 121.0 42.7 -80.2 -44.6 2.7 -6.5 7.0 347 349 A L H X S+ 0 0 26 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.712 95.9 76.8 -81.3 -22.1 4.7 -9.6 8.0 348 350 A A H X S+ 0 0 38 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.898 96.4 45.6 -58.1 -45.8 6.4 -8.1 11.1 349 351 A P H > S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.870 113.1 52.9 -65.3 -32.4 3.4 -8.3 13.4 350 352 A V H X S+ 0 0 77 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.915 111.0 45.4 -65.4 -44.9 2.8 -11.8 12.1 351 353 A F H X S+ 0 0 20 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.913 111.3 52.0 -64.5 -44.8 6.3 -12.9 12.9 352 354 A A H X S+ 0 0 56 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.865 110.9 48.5 -60.5 -37.9 6.3 -11.3 16.3 353 355 A W H X S+ 0 0 157 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.819 109.2 55.0 -69.6 -31.7 3.1 -13.2 17.1 354 356 A M H X S+ 0 0 62 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.880 103.5 52.7 -70.4 -40.0 4.6 -16.4 15.8 355 357 A W H X S+ 0 0 37 -4,-2.1 4,-1.6 1,-0.2 7,-0.2 0.847 109.7 49.1 -66.2 -34.9 7.7 -16.2 18.2 356 358 A V H < S+ 0 0 103 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.914 109.8 50.4 -70.8 -43.7 5.5 -15.8 21.2 357 359 A K H < S+ 0 0 113 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.849 110.3 50.7 -63.3 -35.8 3.2 -18.7 20.3 358 360 A L H >< S+ 0 0 52 -4,-1.9 3,-2.3 1,-0.2 2,-0.3 0.884 83.6 165.8 -67.8 -38.9 6.2 -21.0 19.8 359 361 A G G >< S- 0 0 32 -4,-1.6 3,-0.9 1,-0.3 -1,-0.2 -0.428 72.7 -0.2 63.7-118.5 7.6 -19.9 23.2 360 362 A K G 3 S+ 0 0 137 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.610 130.9 66.5 -77.3 -12.4 10.4 -22.3 24.2 361 363 A R G < S+ 0 0 186 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.583 77.3 110.4 -83.7 -11.4 9.9 -24.2 20.9 362 364 A Q S < S- 0 0 73 -3,-0.9 -7,-0.1 -7,-0.2 -6,-0.0 -0.262 80.5 -94.8 -64.3 150.3 11.1 -21.2 18.9 363 365 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.277 42.4-110.4 -62.6 152.2 14.4 -21.5 17.1 364 366 A T > - 0 0 60 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.196 34.0 -96.2 -74.9 173.8 17.5 -20.1 18.8 365 367 A I H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.921 125.3 46.6 -59.7 -48.0 19.4 -17.0 17.6 366 368 A P H > S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.877 113.2 51.6 -62.6 -34.0 22.0 -18.9 15.6 367 369 A Q H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.851 106.7 52.5 -68.8 -36.0 19.2 -21.0 14.1 368 370 A K H X S+ 0 0 18 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.840 106.7 53.8 -67.9 -33.9 17.3 -17.8 13.1 369 371 A F H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.907 110.9 46.7 -61.5 -42.9 20.5 -16.6 11.4 370 372 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.903 109.7 52.6 -66.5 -43.1 20.5 -19.9 9.5 371 373 A L H X S+ 0 0 48 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.867 107.8 52.4 -61.2 -38.0 16.8 -19.7 8.6 372 374 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.880 110.6 47.4 -64.7 -38.6 17.3 -16.2 7.2 373 375 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.855 109.0 54.0 -72.1 -36.5 20.1 -17.4 5.0 374 376 A L H X S+ 0 0 35 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.908 110.6 45.9 -64.3 -43.7 18.1 -20.4 3.8 375 377 A F H X S+ 0 0 62 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.878 110.5 55.0 -65.5 -38.7 15.2 -18.1 2.7 376 378 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424 A T H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.915 108.9 51.6 -65.0 -44.7 26.4 -9.3 18.4 422 425 A T H < S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 110.4 48.6 -60.8 -40.5 26.0 -8.0 21.9 423 426 A K H < S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 118.2 37.6 -71.9 -34.0 26.2 -11.4 23.5 424 427 A L H < S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -130,-0.2 0.552 98.0 91.3 -99.4 -9.8 29.3 -12.6 21.6 425 428 A A S < S- 0 0 11 -4,-1.6 -137,-0.1 -5,-0.1 8,-0.0 -0.641 85.9-100.2 -85.4 145.1 31.2 -9.3 21.6 426 429 A P > - 0 0 2 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.137 30.4-112.1 -57.8 158.2 33.6 -8.6 24.5 427 430 A A G > S+ 0 0 69 1,-0.2 3,-1.2 -145,-0.2 4,-0.1 0.830 115.9 58.2 -63.5 -34.2 32.5 -6.3 27.3 428 431 A A G 3 S+ 0 0 60 1,-0.3 3,-0.4 -146,-0.1 -1,-0.2 0.729 102.4 55.1 -69.6 -22.2 35.0 -3.6 26.3 429 432 A F G X S+ 0 0 18 -3,-0.9 3,-0.9 1,-0.2 -1,-0.3 -0.017 71.1 113.9-100.9 29.0 33.4 -3.4 22.8 430 433 A S G X S+ 0 0 80 -3,-1.2 3,-0.9 1,-0.2 4,-0.2 0.826 74.3 53.8 -68.3 -32.3 29.9 -2.7 24.1 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