==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 16-DEC-11 3V5U . COMPND 2 MOLECULE: UNCHARACTERIZED MEMBRANE PROTEIN MJ0091; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR Y.JIANG,J.LIAO,H.LI,W.ZENG,D.SAUER,R.BELMARES . 297 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 85.2 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 . 6 2.0 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 4.7 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 1 2 0 2 0 0 0 1 0 0 0 0 3 0 1 2 1 0 0 0 0 0 0 0 0 2 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 . 3 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 1 A M > 0 0 106 0, 0.0 4,-2.3 0, 0.0 185,-0.1 0.000 360.0 360.0 360.0 -57.1 22.9 38.2 37.8 2 2 A V H > + 0 0 67 2,-0.2 4,-1.6 1,-0.2 181,-0.1 0.763 360.0 52.3 -69.7 -26.1 20.6 40.4 35.7 3 3 A I H > S+ 0 0 127 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.930 108.9 46.4 -72.2 -48.5 23.5 40.4 33.4 4 4 A L H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 112.4 52.1 -57.4 -47.9 23.9 36.6 33.3 5 5 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.873 109.8 48.2 -55.5 -41.9 20.1 36.4 32.8 6 6 A V H X S+ 0 0 56 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.832 111.2 51.7 -70.3 -32.3 20.3 38.7 29.9 7 7 A G H X S+ 0 0 37 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.895 112.8 43.6 -70.5 -42.6 23.1 36.7 28.4 8 8 A Y H X S+ 0 0 73 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.951 112.6 53.9 -64.0 -51.8 21.3 33.5 28.7 9 9 A F H X S+ 0 0 62 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.919 114.7 39.6 -44.8 -55.6 18.1 35.1 27.4 10 10 A L H X S+ 0 0 90 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 116.5 48.6 -67.6 -46.8 19.9 36.4 24.2 11 11 A L H X S+ 0 0 83 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.915 110.6 53.0 -58.2 -45.7 22.0 33.3 23.6 12 12 A G H X S+ 0 0 0 -4,-3.5 4,-2.7 1,-0.2 -2,-0.2 0.932 108.5 49.7 -54.6 -49.0 18.9 31.1 24.0 13 13 A L H X S+ 0 0 68 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.881 111.7 48.6 -57.8 -42.2 17.1 33.2 21.4 14 14 A I H X S+ 0 0 89 -4,-2.1 4,-2.6 2,-0.2 5,-0.5 0.954 112.6 46.9 -64.4 -51.2 20.0 32.9 19.0 15 15 A L H X S+ 0 0 57 -4,-2.9 4,-1.9 1,-0.2 5,-0.3 0.862 113.9 49.2 -57.3 -40.6 20.3 29.1 19.5 16 16 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.910 112.1 49.0 -63.3 -43.0 16.5 28.8 19.1 17 17 A Y H X S+ 0 0 118 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.965 123.6 27.1 -66.2 -54.0 16.5 30.8 15.9 18 18 A Y H X S+ 0 0 130 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.886 119.1 57.6 -79.8 -37.2 19.4 29.1 14.0 19 19 A G H X S+ 0 0 2 -4,-1.9 4,-2.5 -5,-0.5 150,-0.2 0.897 102.8 55.3 -58.4 -41.4 18.9 25.8 15.7 20 20 A S H X S+ 0 0 5 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.923 107.7 48.1 -60.1 -43.1 15.3 25.6 14.5 21 21 A D H X S+ 0 0 42 -4,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.892 111.8 49.6 -67.5 -37.4 16.3 26.1 10.9 22 22 A W H X S+ 0 0 114 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.907 110.2 50.7 -65.3 -41.8 19.1 23.5 11.1 23 23 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 142,-0.2 -2,-0.2 0.918 113.0 46.5 -61.7 -43.7 16.7 21.0 12.6 24 24 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.944 113.6 47.2 -62.9 -49.1 14.2 21.6 9.9 25 25 A L H X S+ 0 0 49 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.935 114.8 46.2 -61.4 -45.1 16.7 21.4 7.1 26 26 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.899 113.2 49.7 -64.9 -40.4 18.2 18.2 8.5 27 27 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.873 109.6 51.1 -65.5 -39.3 14.8 16.6 9.0 28 28 A E H X S+ 0 0 39 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.924 112.6 46.8 -64.8 -42.4 13.7 17.5 5.4 29 29 A R H X S+ 0 0 68 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.955 110.6 51.2 -64.7 -48.1 16.9 15.8 4.1 30 30 A I H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.872 106.4 56.2 -54.9 -39.6 16.4 12.8 6.3 31 31 A A H X>S+ 0 0 1 -4,-2.2 5,-2.4 1,-0.2 4,-0.5 0.939 109.4 45.8 -58.4 -46.4 12.8 12.5 5.0 32 32 A R H ><5S+ 0 0 154 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.907 110.7 53.4 -65.0 -38.8 14.2 12.4 1.4 33 33 A H H 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.4 39.1 -61.7 -39.1 16.8 9.8 2.4 34 34 A F H 3<5S- 0 0 112 -4,-2.2 114,-0.5 -5,-0.2 -1,-0.2 0.383 109.2-120.2 -93.7 3.7 14.3 7.5 3.9 35 35 A N T <<5 + 0 0 117 -3,-0.8 113,-1.6 -4,-0.5 2,-0.3 0.885 68.5 132.9 55.1 40.4 11.6 8.0 1.3 36 36 A V B < -A 147 0A 22 -5,-2.4 -1,-0.2 111,-0.2 111,-0.2 -0.881 59.3-102.2-114.8 157.6 9.1 9.3 3.8 37 37 A S > - 0 0 47 109,-1.4 4,-2.0 -2,-0.3 5,-0.2 -0.273 28.3-114.3 -70.0 159.5 6.9 12.4 3.6 38 38 A N H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 118.0 59.4 -61.2 -36.1 7.7 15.6 5.5 39 39 A F H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.932 105.1 48.7 -56.9 -45.9 4.5 14.9 7.6 40 40 A V H > S+ 0 0 5 2,-0.2 4,-1.0 1,-0.2 5,-0.3 0.921 112.9 45.6 -62.7 -46.2 5.9 11.6 8.8 41 41 A I H <>S+ 0 0 7 -4,-2.0 5,-2.4 1,-0.2 6,-0.4 0.901 115.2 49.3 -64.6 -36.7 9.3 13.0 9.8 42 42 A G H <>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.2 -2,-0.2 0.902 111.8 47.9 -66.8 -40.2 7.4 15.9 11.5 43 43 A A H <5S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.616 126.2 23.5 -77.5 -11.9 5.1 13.6 13.3 44 44 A T T X5S+ 0 0 18 -4,-1.0 4,-2.8 -3,-0.4 5,-0.4 0.649 129.4 21.1-117.7 -87.4 7.8 11.3 14.6 45 45 A V H >5S+ 0 0 65 -5,-0.3 4,-2.1 1,-0.2 5,-0.2 0.896 131.1 41.0 -54.5 -48.2 11.4 12.4 14.9 46 46 A M H >< S+ 0 0 6 -4,-2.1 3,-1.0 -5,-0.4 -2,-0.2 0.927 113.7 43.7 -55.0 -46.2 12.5 15.5 19.8 50 50 A T H 3< S+ 0 0 0 -4,-2.6 157,-0.3 1,-0.2 4,-0.3 0.726 110.6 56.7 -75.3 -18.4 10.8 18.7 20.5 51 51 A S H 3X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.4 -1,-0.2 0.415 75.9 96.8 -91.0 -0.3 8.5 17.1 23.2 52 52 A L H S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.930 109.2 47.5 -57.9 -45.3 11.0 19.0 27.5 54 54 A E H > S+ 0 0 0 149,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.900 112.5 49.1 -60.6 -42.7 7.3 18.2 28.1 55 55 A I H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.950 114.5 43.6 -64.6 -47.3 8.0 14.5 28.9 56 56 A L H X S+ 0 0 123 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.916 115.7 49.4 -63.2 -42.1 10.8 15.3 31.4 57 57 A T H X S+ 0 0 40 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.904 112.9 45.2 -64.3 -45.5 8.8 18.2 32.9 58 58 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 5,-0.2 0.895 115.0 48.0 -68.3 -38.6 5.6 16.1 33.4 59 59 A A H X S+ 0 0 18 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.952 115.3 44.7 -65.4 -48.7 7.5 13.1 34.8 60 60 A Y H X S+ 0 0 151 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.923 111.6 52.3 -62.7 -45.8 9.5 15.3 37.2 61 61 A A H <>S+ 0 0 8 -4,-2.7 5,-2.9 -5,-0.2 -1,-0.2 0.908 113.1 43.7 -58.7 -42.5 6.5 17.3 38.4 62 62 A S H ><5S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.923 111.3 53.7 -72.3 -40.8 4.5 14.2 39.2 63 63 A Y H 3<5S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.7 52.9 -57.4 -35.5 7.4 12.5 40.8 64 64 A M T 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.213 125.4-104.4 -87.0 13.1 7.7 15.7 43.0 65 65 A H T < 5S+ 0 0 145 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.811 89.9 116.6 70.5 32.4 4.1 15.4 44.0 66 66 A A >>< + 0 0 28 -5,-2.9 4,-1.7 -6,-0.2 3,-0.7 -0.538 24.4 156.8-123.4 65.1 2.8 18.2 41.7 67 67 A P H 3> S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.731 70.1 64.2 -67.3 -19.7 0.5 16.2 39.4 68 68 A G H 3> S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.895 105.3 44.1 -66.9 -40.1 -1.5 19.4 38.7 69 69 A I H <> S+ 0 0 31 -3,-0.7 4,-2.7 229,-0.3 5,-0.2 0.885 109.7 58.6 -68.8 -37.2 1.6 20.9 37.1 70 70 A S H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.946 115.2 33.1 -57.5 -52.9 2.3 17.6 35.3 71 71 A I H X>S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.5 0.872 114.7 59.4 -74.7 -35.3 -1.1 17.6 33.5 72 72 A G H X5S+ 0 0 5 -4,-2.2 4,-1.9 -5,-0.3 5,-0.2 0.916 108.5 46.0 -57.0 -42.8 -1.2 21.4 33.2 73 73 A N H X5S+ 0 0 1 -4,-2.7 4,-1.5 224,-0.2 -1,-0.2 0.934 114.5 46.9 -65.2 -46.4 2.0 21.2 31.2 74 74 A A H X5S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.957 121.7 33.4 -62.3 -54.2 0.9 18.3 28.9 75 75 A I H X5S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.877 115.4 56.5 -75.3 -35.1 -2.5 19.6 28.0 76 76 A G H XS+ 0 0 3 -4,-2.2 5,-2.4 1,-0.2 4,-1.6 0.902 107.7 55.9 -57.7 -43.9 -0.5 26.1 22.6 81 81 A N H <>S+ 0 0 2 -4,-2.6 5,-2.4 3,-0.2 -1,-0.2 0.854 118.8 30.5 -65.1 -35.3 0.6 23.8 19.7 82 82 A I H <>S+ 0 0 0 -4,-1.6 5,-0.9 3,-0.2 -2,-0.2 0.919 125.5 41.6 -87.0 -49.5 -2.7 24.2 17.8 83 83 A G H <5S+ 0 0 0 -4,-2.7 203,-0.2 -5,-0.3 -3,-0.2 0.954 133.7 12.8 -66.0 -52.3 -3.8 27.7 18.9 84 84 A L T X5S+ 0 0 27 -4,-1.6 4,-2.5 -5,-0.4 5,-0.3 0.913 130.4 42.2 -91.2 -53.3 -0.5 29.5 18.7 85 85 A V H > - 0 0 88 -2,-0.5 4,-1.9 1,-0.1 3,-0.4 -0.274 30.9 -98.4 -74.6 163.7 -4.1 15.6 1.1 99 99 A K H > S+ 0 0 147 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.782 118.9 47.4 -55.3 -37.0 -6.4 12.6 1.5 100 100 A N H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.871 109.6 51.2 -76.4 -37.8 -4.0 10.4 3.5 101 101 A L H > S+ 0 0 28 -3,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.848 103.7 62.2 -64.7 -31.9 -2.9 13.0 6.0 102 102 A Q H X S+ 0 0 17 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.903 102.9 49.0 -57.7 -42.5 -6.6 13.7 6.5 103 103 A K H X S+ 0 0 146 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.849 108.3 53.3 -67.1 -36.6 -7.0 10.1 7.8 104 104 A N H X S+ 0 0 23 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.943 109.0 49.1 -62.5 -44.2 -4.0 10.7 10.1 105 105 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.877 108.0 54.3 -62.9 -36.4 -5.6 13.8 11.5 106 106 A L H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.929 108.1 49.3 -63.1 -42.8 -8.9 11.8 12.1 107 107 A V H X S+ 0 0 42 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 109.8 52.2 -60.6 -42.6 -7.0 9.2 14.1 108 108 A Y H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 108.7 50.4 -54.7 -48.2 -5.4 12.1 16.1 109 109 A L H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 109.7 49.9 -60.7 -43.6 -8.9 13.5 16.8 110 110 A L H X S+ 0 0 105 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.879 109.9 51.8 -60.4 -40.5 -10.1 10.1 18.0 111 111 A F H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.910 110.4 47.7 -64.3 -43.3 -7.1 9.7 20.2 112 112 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.900 112.7 47.8 -65.2 -43.8 -7.7 13.1 21.8 113 113 A I H X S+ 0 0 67 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.912 111.7 51.5 -62.5 -43.5 -11.4 12.4 22.3 114 114 A F H X S+ 0 0 80 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.938 110.7 47.9 -58.3 -47.7 -10.5 9.0 23.9 115 115 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.915 110.3 52.5 -57.0 -44.6 -8.0 10.8 26.2 116 116 A A H < S+ 0 0 16 -4,-2.4 4,-0.2 2,-0.2 -1,-0.2 0.920 111.2 47.1 -60.7 -42.9 -10.7 13.3 27.2 117 117 A V H >< S+ 0 0 86 -4,-2.4 3,-1.7 1,-0.2 4,-0.3 0.960 114.3 43.1 -66.3 -54.0 -13.2 10.6 28.1 118 118 A I H 3< S+ 0 0 32 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.760 111.9 59.1 -66.9 -18.1 -10.9 8.4 30.2 119 119 A G T >< S+ 0 0 1 -4,-1.7 3,-2.4 -5,-0.3 132,-0.3 0.462 72.7 99.1 -86.4 -0.4 -9.6 11.6 31.8 120 120 A I T < S+ 0 0 100 -3,-1.7 -1,-0.2 1,-0.3 132,-0.2 0.853 94.9 34.3 -57.8 -34.6 -13.0 12.8 33.1 121 121 A D T 3 S- 0 0 124 1,-0.5 -1,-0.3 -3,-0.5 -2,-0.1 -0.012 131.8 -89.9-105.2 27.5 -12.1 11.4 36.6 122 122 A G < - 0 0 0 -3,-2.4 2,-0.5 127,-0.2 -1,-0.5 -0.257 52.9 -70.1 87.4 177.9 -8.4 12.2 36.2 123 123 A F B -C 248 0C 0 125,-2.2 125,-2.8 -3,-0.1 2,-0.1 -0.946 44.9-166.8-116.4 121.4 -5.7 10.0 34.8 124 124 A S > - 0 0 28 -2,-0.5 4,-2.1 123,-0.2 119,-0.1 -0.398 41.8 -97.1 -93.6 178.4 -4.5 6.9 36.6 125 125 A W H > S+ 0 0 156 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.812 126.4 55.2 -68.5 -27.8 -1.4 4.9 35.9 126 126 A I H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 105.0 52.2 -71.9 -38.2 -3.6 2.4 33.9 127 127 A D H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.932 109.5 51.9 -56.2 -45.2 -4.8 5.3 31.8 128 128 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.911 107.4 50.1 -58.4 -47.4 -1.2 6.2 31.2 129 129 A V H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.916 111.9 48.7 -59.8 -43.5 -0.2 2.7 30.1 130 130 A V H X S+ 0 0 53 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.947 111.9 47.5 -62.0 -47.7 -3.1 2.6 27.6 131 131 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.887 111.6 51.7 -63.3 -37.4 -2.3 6.1 26.1 132 132 A L H X S+ 0 0 66 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.921 109.8 48.6 -64.3 -45.4 1.4 5.1 25.8 133 133 A I H X S+ 0 0 95 -4,-2.2 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14.8 26.9 25.0 174 180 A E H X S+ 0 0 115 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.923 113.1 45.4 -63.7 -45.7 16.3 26.1 28.3 175 181 A L H X S+ 0 0 34 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.898 112.2 52.1 -62.4 -44.7 18.7 29.1 28.3 176 182 A F H X S+ 0 0 32 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.920 114.7 42.2 -57.5 -46.4 15.9 31.4 27.2 177 183 A V H X S+ 0 0 42 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 115.9 47.4 -69.8 -43.2 13.7 30.2 30.0 178 184 A D H X S+ 0 0 34 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.894 112.3 51.7 -65.7 -39.0 16.5 30.2 32.6 179 185 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.907 109.3 48.8 -62.1 -46.0 17.5 33.7 31.5 180 186 A A H X S+ 0 0 40 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.911 112.5 49.0 -59.2 -45.0 14.0 35.0 31.8 181 187 A K H X S+ 0 0 120 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.880 110.7 49.9 -64.4 -41.3 13.7 33.6 35.3 182 188 A K H X S+ 0 0 49 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.910 111.9 48.5 -63.3 -44.0 17.1 35.1 36.3 183 189 A I H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 6,-0.2 0.923 112.1 48.3 -60.0 -45.8 16.0 38.5 35.0 184 190 A A H <>S+ 0 0 24 -4,-2.5 5,-2.5 1,-0.2 6,-0.6 0.929 113.5 47.8 -63.0 -43.2 12.7 38.3 36.8 185 191 A L H ><5S+ 0 0 102 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.936 112.2 48.5 -63.2 -46.7 14.4 37.3 40.0 186 192 A A H 3<5S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 112.7 48.2 -63.8 -31.9 17.0 40.0 39.8 187 193 A L T 3<5S- 0 0 106 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.409 112.1-121.7 -89.4 1.4 14.4 42.7 39.1 188 194 A D T < 5S+ 0 0 144 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.775 83.8 113.0 64.7 28.9 12.3 41.4 42.0 189 195 A I < + 0 0 117 -5,-2.5 -4,-0.2 -6,-0.2 2,-0.1 0.109 35.3 141.2-114.3 21.4 9.3 40.7 39.8 190 196 A S - 0 0 65 -6,-0.6 2,-0.4 -5,-0.2 -9,-0.0 -0.420 26.9-176.2 -62.8 135.3 9.4 36.9 40.2 191 197 A D > - 0 0 87 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.923 19.7-159.7-140.6 109.9 5.9 35.5 40.4 192 198 A K H > S+ 0 0 168 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.879 93.7 52.4 -57.1 -41.7 5.4 31.7 41.0 193 199 A V H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 103,-0.6 0.932 113.2 43.2 -64.8 -43.4 1.8 31.7 39.7 194 200 A I H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.925 112.7 54.6 -65.6 -43.7 2.8 33.4 36.5 195 201 A G H < S+ 0 0 40 -4,-2.8 3,-0.4 1,-0.2 4,-0.3 0.928 110.6 43.9 -54.6 -50.4 5.9 31.2 36.2 196 202 A F H >< S+ 0 0 83 -4,-2.8 3,-1.0 1,-0.2 4,-0.4 0.855 108.3 58.9 -67.7 -31.9 3.8 28.0 36.5 197 203 A T H 3< S+ 0 0 49 -4,-2.0 3,-0.4 -5,-0.3 4,-0.3 0.875 108.8 47.3 -57.4 -35.9 1.2 29.4 34.1 198 204 A L T 3X S+ 0 0 92 -4,-1.6 4,-2.7 -3,-0.4 -1,-0.2 0.391 81.8 97.1 -90.8 -0.8 4.1 29.7 31.5 199 205 A V H <> S+ 0 0 36 -3,-1.0 4,-2.4 -4,-0.3 5,-0.2 0.949 85.0 48.6 -54.6 -50.1 5.5 26.2 31.9 200 206 A A H > S+ 0 0 12 -4,-0.4 4,-1.1 -3,-0.4 -1,-0.2 0.876 112.3 49.4 -62.2 -37.1 3.7 24.8 28.9 201 207 A F H 4 S+ 0 0 64 -4,-0.3 3,-0.4 2,-0.2 4,-0.4 0.936 109.1 52.3 -65.9 -45.0 4.8 27.7 26.8 202 208 A G H >< S+ 0 0 12 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.906 111.1 45.8 -58.5 -43.4 8.4 27.4 27.8 203 209 A T H 3< S+ 0 0 14 -4,-2.4 4,-0.3 1,-0.2 -149,-0.3 0.758 109.8 57.6 -73.7 -17.8 8.4 23.7 26.9 204 210 A S T 3X S+ 0 0 1 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.2 0.378 76.1 96.4 -91.8 3.0 6.7 24.5 23.6 205 211 A L H <> S+ 0 0 8 -3,-1.1 4,-2.4 -4,-0.4 5,-0.3 0.883 82.4 52.5 -61.3 -40.9 9.4 26.9 22.4 206 212 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.962 111.1 46.5 -57.1 -48.4 11.0 24.2 20.4 207 213 A E H > S+ 0 0 1 -4,-0.3 4,-2.5 -157,-0.3 5,-0.2 0.901 113.1 51.3 -57.6 -43.6 7.7 23.4 18.6 208 214 A L H X S+ 0 0 20 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.941 115.9 37.7 -57.8 -53.2 7.1 27.2 18.1 209 215 A M H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.871 117.1 50.3 -75.9 -36.5 10.5 27.9 16.5 210 216 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.931 112.8 47.3 -64.8 -45.3 10.8 24.7 14.5 211 217 A S H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.884 112.0 49.3 -64.8 -39.3 7.3 25.2 13.1 212 218 A L H X S+ 0 0 38 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.902 110.8 50.6 -65.8 -39.7 7.9 28.8 12.2 213 219 A A H X S+ 0 0 5 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.899 113.2 46.4 -62.4 -41.5 11.2 27.8 10.5 214 220 A A H <>S+ 0 0 1 -4,-2.2 5,-2.8 2,-0.2 3,-0.5 0.910 111.0 51.5 -66.1 -44.2 9.3 25.1 8.5 215 221 A A H ><5S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.905 104.6 56.4 -62.7 -40.5 6.5 27.5 7.6 216 222 A K H 3<5S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.1 47.6 -59.1 -30.7 9.0 30.1 6.3 217 223 A R T 3<5S- 0 0 112 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.252 118.2-115.9 -93.6 12.1 10.3 27.3 3.9 218 224 A N T < 5 + 0 0 115 -3,-2.1 2,-1.5 1,-0.2 -3,-0.2 0.748 64.6 148.7 61.3 27.3 6.7 26.4 2.9 219 225 A L >>< + 0 0 31 -5,-2.8 4,-2.0 1,-0.2 3,-0.5 -0.470 11.0 162.2 -91.5 67.7 7.0 23.0 4.4 220 226 A G H 3> + 0 0 12 -2,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.786 69.1 53.2 -61.3 -36.8 3.3 22.7 5.4 221 227 A G H 3> S+ 0 0 24 -3,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.865 108.9 51.3 -65.8 -36.8 3.2 19.0 5.8 222 228 A M H <> S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.910 109.3 51.0 -65.4 -43.3 6.1 19.2 8.2 223 229 A V H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.955 112.9 44.8 -56.8 -52.1 4.3 21.9 10.2 224 230 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.903 112.9 50.7 -62.0 -40.9 1.2 19.8 10.5 225 231 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.929 110.1 50.5 -63.4 -43.7 3.1 16.6 11.4 226 232 A N H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.909 114.2 43.8 -60.7 -41.8 5.0 18.4 14.1 227 233 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.969 119.3 40.9 -69.2 -51.7 1.8 19.8 15.6 228 234 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.943 119.1 45.9 -62.1 -49.6 -0.2 16.6 15.4 229 235 A G H X S+ 0 0 2 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.847 110.6 53.5 -61.7 -38.6 2.7 14.4 16.5 230 236 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.907 108.1 49.9 -65.5 -42.2 3.7 16.7 19.4 231 237 A N H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.920 112.3 47.1 -62.1 -41.2 0.2 16.7 20.8 232 238 A I H X>S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.5 0.927 113.5 49.0 -65.7 -40.5 0.1 12.9 20.7 233 239 A A H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.9 0.856 109.9 51.8 -65.7 -33.7 3.6 12.8 22.3 234 240 A D H <>S+ 0 0 0 -4,-2.3 5,-2.8 3,-0.2 -1,-0.2 0.787 120.3 34.1 -74.1 -27.7 2.4 15.2 25.0 235 241 A I H <>S+ 0 0 0 -4,-1.6 5,-1.5 -3,-0.2 -2,-0.2 0.899 127.6 33.9 -90.4 -53.5 -0.6 13.0 25.8 236 242 A G H <5S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.604 137.0 24.7 -79.4 -10.5 0.6 9.4 25.2 237 243 A G T XX S+ 0 0 38 -4,-2.6 3,-1.0 1,-0.2 4,-0.7 0.913 109.5 54.9 -63.2 -41.6 4.4 9.2 32.1 242 248 A G H >X S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 4,-1.1 0.899 103.8 55.7 -51.9 -42.4 3.2 11.7 34.7 243 249 A S H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.688 95.4 67.2 -71.1 -17.6 0.3 9.4 35.5 244 250 A L H << S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.774 105.2 41.9 -69.8 -26.9 2.7 6.6 36.3 245 251 A F H << S- 0 0 105 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.769 131.4 -10.1 -90.8 -28.2 4.0 8.5 39.3 246 252 A M S < S- 0 0 59 -4,-1.1 -1,-0.3 -123,-0.1 2,-0.1 -0.977 81.4 -83.5-168.0 151.2 0.8 9.8 40.7 247 253 A H - 0 0 95 -2,-0.3 -123,-0.2 -3,-0.1 -3,-0.1 -0.446 45.5-136.1 -64.5 135.0 -2.9 10.1 39.8 248 254 A L B -C 123 0C 0 -125,-2.8 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S+ 0 0 101 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.890 110.0 52.4 -64.3 -37.2 -9.3 33.8 24.5 289 295 A A H >X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.935 110.9 44.6 -64.8 -45.9 -8.0 30.7 26.3 290 296 A I H 3< S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.9 53.6 -73.1 -22.1 -5.1 32.6 27.8 291 297 A A H 3< S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.716 124.1 22.8 -75.3 -21.9 -7.4 35.4 28.8 292 298 A S H << S+ 0 0 85 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.2 0.666 90.5 99.7-126.5 -22.6 -9.8 33.1 30.6 293 299 A L S < S- 0 0 44 -4,-2.8 -4,-0.0 -5,-0.2 0, 0.0 -0.404 85.3 -89.5 -70.0 147.6 -8.4 29.8 31.8 294 300 A R - 0 0 240 1,-0.1 3,-0.4 -2,-0.1 -1,-0.1 -0.293 47.0-126.6 -55.5 138.4 -7.4 29.6 35.4 295 301 A M S S+ 0 0 105 1,-0.2 3,-0.2 2,-0.1 -101,-0.1 -0.362 78.5 71.0 -83.1 167.7 -3.8 30.7 36.0 296 302 A G S S- 0 0 14 -103,-0.6 -1,-0.2 1,-0.1 -99,-0.1 0.317 93.5-110.8 110.0 -6.8 -1.1 28.7 37.8 297 303 A G 0 0 20 -3,-0.4 -225,-0.2 1,-0.3 -224,-0.2 0.705 360.0 360.0 57.2 22.2 -0.5 26.0 35.2 298 304 A G 0 0 62 -3,-0.2 -1,-0.3 -226,-0.1 -229,-0.3 0.317 360.0 360.0 97.8 360.0 -2.1 23.6 37.6