==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-SEP-05 2B2F . COMPND 2 MOLECULE: AMMONIUM TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR S.L.ANDRADE,A.DICKMANNS,R.FICNER,O.EINSLE . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 82.1 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 . 5 1.3 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 . 1 0.3 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 . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.3 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 2 0 3 0 0 1 0 0 0 0 1 2 0 0 0 1 2 1 0 0 1 0 1 0 1 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 . 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 1 A M 0 0 136 0, 0.0 4,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -1.4 7.6 -4.5 25.4 2 2 A S > - 0 0 61 3,-0.1 4,-2.3 2,-0.1 5,-0.2 0.800 360.0-142.3 78.8 97.8 4.9 -1.9 25.1 3 3 A D H > S+ 0 0 137 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.860 100.3 59.7 -58.0 -36.2 2.5 -3.5 22.6 4 4 A G H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 106.7 44.4 -60.2 -45.4 2.0 -0.0 21.1 5 5 A N H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 114.5 48.3 -67.5 -41.5 5.7 0.3 20.3 6 6 A V H X S+ 0 0 25 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.931 110.5 53.9 -63.1 -42.6 5.9 -3.2 18.9 7 7 A A H X S+ 0 0 56 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.944 109.3 47.0 -55.5 -51.6 2.8 -2.5 16.9 8 8 A W H X S+ 0 0 64 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.888 114.7 45.2 -61.6 -40.7 4.3 0.7 15.3 9 9 A I H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.851 110.0 54.2 -74.3 -31.2 7.6 -0.9 14.4 10 10 A L H X S+ 0 0 101 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.973 114.2 43.2 -61.9 -49.9 5.9 -4.0 13.0 11 11 A A H X S+ 0 0 41 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.930 111.8 52.7 -59.8 -47.9 3.9 -1.7 10.8 12 12 A S H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.862 106.7 54.2 -59.1 -34.9 6.9 0.4 10.0 13 13 A T H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.913 107.9 48.4 -65.0 -42.1 8.8 -2.7 8.9 14 14 A A H X S+ 0 0 60 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.932 111.3 52.9 -62.0 -44.5 6.0 -3.6 6.5 15 15 A L H X S+ 0 0 24 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.879 108.9 46.5 -59.5 -42.7 6.1 -0.1 5.2 16 16 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.866 108.4 57.1 -70.8 -33.3 9.8 -0.1 4.5 17 17 A M H >< S+ 0 0 60 -4,-2.0 3,-1.3 1,-0.2 5,-0.2 0.905 102.4 55.4 -60.8 -41.2 9.6 -3.5 2.8 18 18 A L H 3X S+ 0 0 51 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.818 96.0 67.1 -62.7 -29.0 7.0 -2.0 0.4 19 19 A M H 3X S+ 0 0 2 -4,-0.9 4,-2.1 -3,-0.3 -1,-0.3 0.773 89.0 66.8 -63.9 -25.7 9.5 0.7 -0.6 20 20 A V H S+ 0 0 7 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.852 113.8 67.0 -67.8 -25.2 9.5 -2.8 -5.1 22 22 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.904 100.0 48.0 -56.5 -40.3 8.3 0.8 -4.8 23 23 A V H X S+ 0 0 6 -4,-2.1 4,-2.9 -3,-0.5 5,-0.3 0.917 108.5 55.9 -66.1 -40.9 11.8 1.8 -6.0 24 24 A G H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.907 110.9 42.1 -56.6 -46.1 11.5 -0.8 -8.8 25 25 A F H X S+ 0 0 45 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.918 112.1 55.4 -67.6 -43.3 8.3 0.7 -10.1 26 26 A F H < S+ 0 0 14 -4,-2.4 4,-0.5 -5,-0.3 -2,-0.2 0.940 117.4 35.2 -54.1 -50.5 9.6 4.2 -9.7 27 27 A Y H >X S+ 0 0 4 -4,-2.9 3,-1.5 1,-0.2 4,-0.6 0.920 110.8 61.9 -71.7 -44.5 12.6 3.4 -11.8 28 28 A A H >< S+ 0 0 0 -4,-3.2 3,-1.2 -5,-0.3 157,-0.3 0.849 97.8 57.1 -52.1 -40.1 10.9 1.0 -14.2 29 29 A G T 3< S+ 0 0 0 -4,-2.0 157,-2.2 1,-0.2 -1,-0.3 0.803 104.6 54.3 -64.5 -25.4 8.5 3.7 -15.5 30 30 A M T <4 S+ 0 0 31 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.554 99.6 69.3 -86.8 -8.8 11.5 5.8 -16.5 31 31 A V S << S- 0 0 0 -3,-1.2 154,-2.1 -4,-0.6 155,-0.3 -0.514 96.0 -76.8-101.7 175.8 13.3 3.2 -18.7 32 32 A R > - 0 0 60 152,-0.2 3,-2.5 -2,-0.2 4,-0.4 -0.319 40.6-109.6 -72.2 154.6 12.3 1.9 -22.0 33 33 A R G > S+ 0 0 139 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.836 116.8 62.1 -49.5 -39.8 9.6 -0.7 -22.5 34 34 A K G 3 S+ 0 0 61 1,-0.3 347,-2.1 2,-0.1 348,-0.5 0.521 112.0 37.5 -67.6 -6.4 12.1 -3.4 -23.4 35 35 A N G <> S+ 0 0 1 -3,-2.5 4,-2.2 345,-0.2 -1,-0.3 0.237 83.8 103.9-127.2 8.0 13.8 -3.0 -19.9 36 36 A A H <> S+ 0 0 3 -3,-1.3 4,-1.9 -4,-0.4 5,-0.2 0.944 83.4 46.2 -58.8 -51.8 10.7 -2.5 -17.7 37 37 A V H > S+ 0 0 29 -4,-0.4 4,-3.6 1,-0.2 5,-0.3 0.932 111.4 53.2 -57.7 -46.5 10.7 -6.0 -16.3 38 38 A N H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 106.9 51.3 -54.7 -49.2 14.4 -5.9 -15.6 39 39 A M H X S+ 0 0 1 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.893 116.8 39.6 -57.9 -41.3 14.2 -2.7 -13.7 40 40 A I H >X S+ 0 0 34 -4,-1.9 4,-1.6 2,-0.2 3,-1.1 0.942 111.9 56.3 -74.0 -47.9 11.4 -4.0 -11.4 41 41 A A H 3X S+ 0 0 22 -4,-3.6 4,-2.9 1,-0.3 5,-0.2 0.847 100.1 61.4 -51.3 -39.0 13.0 -7.5 -11.1 42 42 A L H 3X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.3 0.872 102.6 50.1 -58.7 -37.7 16.2 -5.9 -9.8 43 43 A S H S+ 0 0 28 -4,-2.6 5,-3.7 2,-0.2 4,-2.9 0.898 112.4 54.3 -63.5 -39.9 22.7 -12.2 3.5 54 54 A W H <>S+ 0 0 0 -4,-2.9 5,-2.9 -5,-0.3 6,-0.5 0.942 114.0 41.7 -58.1 -49.8 21.4 -10.1 6.4 55 55 A I H <5S+ 0 0 43 -4,-2.1 23,-1.2 -5,-0.3 24,-0.7 0.946 114.4 51.5 -60.7 -53.6 20.2 -13.3 8.2 56 56 A F H <5S- 0 0 119 -4,-2.8 22,-1.1 -5,-0.2 -2,-0.2 0.927 144.0 -46.0 -52.3 -53.7 23.4 -15.2 7.3 57 57 A Y T X5S+ 0 0 49 -4,-2.9 4,-2.9 20,-0.2 5,-0.3 0.427 111.8 97.2-160.5 -14.9 25.8 -12.6 8.6 58 58 A G H > S+ 0 0 0 -6,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.916 108.9 52.5 -61.7 -47.2 25.9 -9.4 12.8 61 61 A V H < S+ 0 0 15 -4,-2.9 11,-2.3 2,-0.2 -1,-0.2 0.796 116.8 41.1 -61.9 -26.2 28.5 -7.6 10.8 62 62 A S H < S+ 0 0 0 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.912 134.7 13.8 -86.5 -48.2 26.4 -4.4 11.3 63 63 A F H < S+ 0 0 27 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.243 99.6 105.1-117.2 15.9 25.3 -4.7 14.9 64 64 A G S < S- 0 0 7 -4,-2.8 3,-0.1 9,-0.3 10,-0.1 -0.080 85.8 -38.2 -85.0-171.1 27.4 -7.4 16.4 65 65 A N S S- 0 0 102 7,-0.2 8,-2.0 1,-0.1 -1,-0.2 -0.197 73.2-113.6 -48.6 128.2 30.4 -7.1 18.9 66 66 A D E -A 72 0A 78 6,-0.2 2,-0.5 -3,-0.1 6,-0.2 -0.393 29.0-168.0 -70.8 141.1 32.4 -4.1 17.9 67 67 A I E >> S-A 71 0A 78 4,-2.3 3,-1.8 -2,-0.1 4,-1.1 -0.953 75.5 -26.7-132.7 111.2 35.9 -4.6 16.6 68 68 A S T 34 S- 0 0 100 -2,-0.5 73,-0.1 1,-0.3 4,-0.1 0.680 105.1 -84.4 59.9 18.2 38.1 -1.5 16.3 69 69 A G T 34 S+ 0 0 8 2,-0.3 72,-2.8 1,-0.1 73,-0.3 0.573 119.3 90.2 64.8 8.9 34.9 0.4 15.9 70 70 A I T <4 S+ 0 0 69 -3,-1.8 2,-0.3 1,-0.3 65,-0.3 0.670 92.5 5.3-108.7 -20.1 34.8 -0.2 12.2 71 71 A I E < -A 67 0A 42 -4,-1.1 -4,-2.3 63,-0.1 -1,-0.3 -0.983 68.1-112.1-156.8 164.9 32.8 -3.5 12.0 72 72 A G E -A 66 0A 6 -11,-2.3 -6,-0.2 -2,-0.3 -7,-0.2 -0.672 32.5-116.3-100.8 158.4 30.8 -6.0 14.1 73 73 A G - 0 0 18 -8,-2.0 3,-0.3 -2,-0.2 -9,-0.3 0.020 30.1-100.7 -78.2-168.4 31.8 -9.5 14.8 74 74 A L S > S+ 0 0 120 1,-0.2 3,-1.8 2,-0.1 -13,-0.1 0.154 82.0 116.1-102.4 20.3 30.0 -12.7 13.8 75 75 A N T 3 S+ 0 0 50 1,-0.3 -1,-0.2 -15,-0.2 -14,-0.0 0.663 81.0 44.3 -63.7 -16.3 28.2 -13.4 17.1 76 76 A Y T > S+ 0 0 54 -3,-0.3 3,-2.0 -19,-0.1 -1,-0.3 0.205 78.0 141.9-112.0 12.6 24.8 -12.9 15.5 77 77 A A G X S+ 0 0 28 -3,-1.8 3,-2.5 1,-0.3 -20,-0.2 -0.273 81.0 10.3 -54.4 141.8 25.4 -15.0 12.4 78 78 A L G 3 S- 0 0 112 -23,-1.2 -1,-0.3 -22,-1.1 -22,-0.2 0.793 132.0 -74.6 53.7 27.9 22.2 -16.9 11.5 79 79 A L G X S+ 0 0 39 -3,-2.0 3,-2.4 -24,-0.7 -1,-0.3 0.702 78.1 175.3 60.0 20.4 20.6 -14.8 14.2 80 80 A S T < S+ 0 0 78 -3,-2.5 -1,-0.2 1,-0.3 3,-0.1 -0.399 71.6 7.5 -58.0 123.8 22.4 -16.8 16.8 81 81 A G T 3 S+ 0 0 56 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.589 95.5 128.2 80.1 9.9 21.5 -15.1 20.1 82 82 A V < + 0 0 9 -3,-2.4 2,-0.3 -4,-0.1 -1,-0.2 -0.896 32.3 151.1-102.4 117.3 19.0 -12.6 18.6 83 83 A K > - 0 0 164 -2,-0.6 3,-1.8 -3,-0.1 4,-0.3 -0.928 40.6 -5.5-143.6 167.2 15.7 -12.6 20.5 84 84 A G T >> S- 0 0 51 -2,-0.3 3,-1.6 1,-0.3 4,-1.1 -0.186 127.4 -0.7 53.0-135.1 12.7 -10.6 21.5 85 85 A E H 3> S+ 0 0 102 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.746 128.7 65.8 -57.9 -25.7 12.8 -6.9 20.5 86 86 A D H <> S+ 0 0 80 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.845 98.0 55.1 -65.9 -30.8 16.3 -7.5 19.0 87 87 A L H <> S+ 0 0 71 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.2 0.902 107.1 48.8 -66.6 -41.4 14.6 -9.6 16.4 88 88 A L H X S+ 0 0 30 -4,-1.1 4,-3.0 2,-0.2 -2,-0.2 0.914 112.0 48.8 -64.5 -42.6 12.2 -6.8 15.5 89 89 A F H X S+ 0 0 48 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.915 110.7 51.1 -62.3 -44.5 15.1 -4.4 15.2 90 90 A M H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.951 113.2 45.3 -56.9 -50.5 17.0 -6.9 13.1 91 91 A M H X S+ 0 0 61 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.904 113.6 48.7 -61.2 -45.4 14.0 -7.2 10.8 92 92 A Y H X S+ 0 0 1 -4,-3.0 4,-0.8 1,-0.2 3,-0.4 0.937 114.6 45.8 -61.3 -46.8 13.3 -3.5 10.6 93 93 A Q H X S+ 0 0 8 -4,-3.1 4,-1.6 1,-0.2 3,-0.4 0.813 102.3 65.7 -66.0 -32.1 17.0 -2.8 9.8 94 94 A M H X S+ 0 0 2 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.923 100.0 51.8 -55.7 -44.1 17.0 -5.6 7.3 95 95 A M H X S+ 0 0 19 -4,-1.4 4,-2.2 -3,-0.4 -1,-0.2 0.780 101.9 58.9 -66.1 -28.4 14.5 -3.6 5.2 96 96 A F H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.2 0.910 106.1 50.3 -66.0 -40.4 16.7 -0.5 5.2 97 97 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.2 -2,-0.2 0.930 109.2 50.8 -61.6 -46.8 19.5 -2.5 3.6 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.901 109.3 49.4 -59.9 -45.3 17.2 -3.8 0.9 99 99 A V H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 108.6 54.8 -62.2 -39.9 15.9 -0.3 -0.0 100 100 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.935 108.0 47.8 -58.9 -47.6 19.5 0.9 -0.2 101 101 A I H X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.890 111.4 51.5 -61.3 -40.6 20.5 -1.8 -2.7 102 102 A A H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 4,-0.2 0.920 105.8 53.8 -64.9 -42.8 17.4 -1.0 -4.8 103 103 A I H >< S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.897 102.6 60.2 -56.5 -40.2 18.1 2.7 -5.0 104 104 A L H >< S+ 0 0 11 -4,-1.7 3,-1.9 1,-0.3 4,-0.3 0.750 81.5 80.7 -58.6 -29.4 21.6 1.8 -6.3 105 105 A T G X< S+ 0 0 0 -3,-1.2 3,-1.2 -4,-0.8 4,-0.3 0.644 71.8 85.6 -57.5 -10.3 20.1 0.0 -9.3 106 106 A S G X S+ 0 0 0 -3,-1.6 3,-1.1 1,-0.2 193,-0.6 0.901 84.3 54.1 -55.3 -43.4 19.8 3.5 -10.7 107 107 A A G < S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.2 191,-0.2 0.582 110.3 44.3 -71.0 -13.2 23.4 3.4 -12.0 108 108 A I G X> S+ 0 0 10 -3,-1.2 3,-1.8 -4,-0.3 4,-0.6 0.236 77.0 151.1-116.6 13.5 23.0 0.1 -14.0 109 109 A A T <4 S- 0 0 0 -3,-1.1 189,-0.1 -4,-0.3 -3,-0.1 -0.174 71.4 -4.3 -51.9 129.5 19.7 0.9 -15.7 110 110 A E T 34 S+ 0 0 0 -75,-0.2 -1,-0.2 1,-0.1 269,-0.1 0.491 127.9 55.8 66.9 10.1 19.2 -0.9 -19.0 111 111 A R T <4 S+ 0 0 0 -3,-1.8 260,-1.8 63,-0.1 2,-0.3 0.343 71.6 102.5-157.7 24.8 22.7 -2.5 -19.4 112 112 A A B < -B 370 0B 8 -4,-0.6 2,-0.4 258,-0.3 258,-0.2 -0.827 64.6-116.4-115.5 152.0 23.9 -4.8 -16.6 113 113 A K > - 0 0 66 256,-2.7 4,-2.1 -2,-0.3 5,-0.2 -0.684 22.4-138.8 -80.2 132.7 24.1 -8.6 -16.2 114 114 A V H > S+ 0 0 21 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.925 102.8 54.4 -58.1 -45.5 21.8 -9.7 -13.4 115 115 A S H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 108.9 48.8 -56.5 -39.6 24.3 -12.2 -12.1 116 116 A S H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.883 108.2 53.0 -69.3 -39.1 26.9 -9.4 -11.9 117 117 A F H X S+ 0 0 10 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.915 109.0 50.8 -61.5 -43.3 24.6 -7.1 -10.0 118 118 A I H X S+ 0 0 55 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.946 112.0 46.4 -59.6 -48.6 23.9 -9.9 -7.5 119 119 A L H X S+ 0 0 68 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.953 116.0 44.8 -59.6 -49.6 27.7 -10.4 -7.0 120 120 A L H X S+ 0 0 9 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.915 112.7 51.9 -60.9 -43.8 28.3 -6.7 -6.7 121 121 A S H X S+ 0 0 7 -4,-3.4 4,-2.8 -5,-0.2 5,-0.2 0.910 109.1 49.7 -59.3 -44.8 25.4 -6.2 -4.3 122 122 A A H X S+ 0 0 24 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.927 114.8 44.4 -61.5 -44.5 26.5 -9.0 -2.1 123 123 A L H X S+ 0 0 50 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.920 114.6 48.6 -65.3 -45.0 30.0 -7.5 -1.9 124 124 A W H X>S+ 0 0 2 -4,-3.3 4,-2.3 2,-0.2 5,-2.0 0.893 109.4 51.4 -62.3 -43.9 28.7 -3.9 -1.4 125 125 A L H <>S+ 0 0 2 -4,-2.8 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-0.677 54.6 177.2-152.9 93.0 5.3 4.7 -18.5 187 187 A I H > S+ 0 0 58 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.897 87.5 59.5 -63.4 -36.9 5.3 7.8 -16.3 188 188 A P H > S+ 0 0 87 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.899 102.6 52.7 -58.6 -37.4 2.1 6.5 -14.5 189 189 A L H > S+ 0 0 30 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.906 109.8 49.1 -63.2 -40.7 4.1 3.4 -13.4 190 190 A T H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.902 108.3 52.8 -65.3 -40.3 6.7 5.7 -12.0 191 191 A L H X S+ 0 0 61 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.842 106.2 53.8 -65.5 -32.0 4.1 7.8 -10.2 192 192 A I H X S+ 0 0 96 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.931 110.1 47.7 -65.8 -43.0 2.7 4.6 -8.6 193 193 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.923 110.4 52.1 -62.2 -42.4 6.3 3.9 -7.4 194 194 A A H X S+ 0 0 11 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 108.1 51.3 -61.0 -38.9 6.5 7.5 -6.1 195 195 A A H X S+ 0 0 59 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.899 110.3 48.9 -65.8 -40.8 3.3 7.1 -4.2 196 196 A L H X S+ 0 0 42 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.829 110.8 51.1 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208 A S G < S+ 0 0 20 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.573 77.8 67.7 -68.4 -8.0 13.3 5.2 13.4 209 209 A A G < S- 0 0 22 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.1 0.606 100.5-139.4 -81.8 -12.0 12.3 6.4 16.8 210 210 A L S < S+ 0 0 80 -3,-2.0 2,-0.3 1,-0.1 -2,-0.1 0.714 74.1 63.4 58.8 26.5 11.8 2.8 17.5 211 211 A A S S- 0 0 13 -5,-0.3 2,-1.4 2,-0.1 -2,-0.2 -0.964 91.8-107.7-167.6 158.4 8.7 3.7 19.5 212 212 A A S S+ 0 0 59 -2,-0.3 2,-0.2 4,-0.1 -207,-0.1 -0.622 79.0 119.2 -93.8 73.2 5.2 5.3 19.0 213 213 A N S > S- 0 0 60 -2,-1.4 4,-2.1 -208,-0.1 5,-0.2 -0.529 82.7 -75.2-125.6-169.6 6.3 8.5 20.8 214 214 A D H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.799 125.8 55.5 -62.6 -30.0 6.7 12.2 20.4 215 215 A V H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 107.3 48.3 -71.3 -39.2 9.9 11.8 18.4 216 216 A A H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 111.8 50.7 -64.3 -44.0 8.2 9.5 15.9 217 217 A I H X S+ 0 0 105 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 111.5 47.6 -59.1 -44.5 5.4 12.1 15.6 218 218 A N H X S+ 0 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5,-0.2 -0.441 40.5 -89.8 -99.9 176.8 11.5 21.4 14.1 269 269 A V H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 127.5 52.3 -56.1 -39.3 9.1 22.4 11.3 270 270 A K H > S+ 0 0 158 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 111.9 45.8 -64.9 -40.5 11.1 25.6 10.6 271 271 A G H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.884 110.1 55.2 -67.1 -36.9 14.2 23.6 10.3 272 272 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.867 105.6 52.7 -62.5 -38.0 12.4 21.1 8.1 273 273 A I H X S+ 0 0 79 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.920 109.9 47.0 -65.6 -43.7 11.4 24.0 5.8 274 274 A V H X S+ 0 0 65 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.953 112.3 50.7 -61.9 -49.0 15.0 25.1 5.4 275 275 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 113.0 44.7 -54.5 -49.1 16.2 21.6 4.8 276 276 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.887 112.4 51.9 -65.9 -38.2 13.6 20.9 2.1 277 277 A L H X S+ 0 0 79 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.945 115.0 40.4 -63.8 -49.7 14.1 24.3 0.4 278 278 A V H X S+ 0 0 45 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.897 113.0 55.8 -66.1 -40.9 17.9 23.8 0.1 279 279 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 5,-0.4 0.927 105.2 52.1 -57.4 -47.3 17.5 20.2 -0.8 280 280 A G H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.936 115.6 41.6 -55.6 -47.8 15.3 21.0 -3.7 281 281 A I H X S+ 0 0 79 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.969 117.4 42.6 -66.1 -57.7 17.8 23.6 -5.0 282 282 A V H X S+ 0 0 46 -4,-3.1 4,-2.7 1,-0.2 -3,-0.2 0.892 114.9 50.7 -61.3 -38.9 21.1 21.7 -4.5 283 283 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.4 -1,-0.2 0.900 110.2 49.8 -67.5 -36.6 19.7 18.4 -5.8 284 284 A Y H X S+ 0 0 34 -4,-1.5 4,-2.5 -5,-0.4 -2,-0.2 0.940 112.5 47.6 -65.4 -43.0 18.3 20.0 -8.9 285 285 A L H X S+ 0 0 104 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.900 110.2 53.0 -61.7 -42.0 21.8 21.6 -9.5 286 286 A A H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.892 108.8 49.5 -60.5 -43.4 23.4 18.3 -8.9 287 287 A M H X S+ 0 0 30 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.954 112.0 47.5 -61.3 -50.6 21.2 16.7 -11.5 288 288 A D H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 112.4 51.7 -56.4 -41.8 22.0 19.4 -14.0 289 289 A F H X S+ 0 0 105 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.901 108.1 47.0 -65.6 -44.8 25.7 19.1 -13.3 290 290 A R H <>S+ 0 0 18 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.811 113.3 52.4 -69.3 -24.5 26.0 15.3 -13.7 291 291 A I H ><5S+ 0 0 78 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.918 107.9 49.9 -73.4 -43.3 24.0 15.8 -17.0 292 292 A K H 3<5S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.911 109.1 52.3 -59.0 -43.4 26.5 18.5 -18.1 293 293 A K T 3<5S- 0 0 104 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.385 111.9-125.6 -75.1 4.0 29.4 16.2 -17.3 294 294 A K T < 5 + 0 0 98 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.796 53.2 156.7 56.2 33.3 27.7 13.5 -19.4 295 295 A I < - 0 0 40 -5,-2.4 2,-1.8 2,-0.1 -1,-0.2 -0.808 40.6-141.8 -91.4 124.5 27.7 10.9 -16.7 296 296 A D + 0 0 3 -2,-0.5 2,-1.9 -128,-0.2 3,-0.1 -0.445 44.6 149.1 -86.3 63.8 25.0 8.2 -17.2 297 297 A E > - 0 0 0 -2,-1.8 3,-2.2 1,-0.2 6,-0.2 -0.641 42.7-159.5 -92.9 67.2 24.1 7.9 -13.5 298 298 A S T 3 + 0 0 9 -2,-1.9 -1,-0.2 1,-0.3 -191,-0.2 0.629 68.2 26.6 -17.8 -67.5 20.8 7.1 -15.2 299 299 A L T 3 S- 0 0 20 -193,-0.6 -1,-0.3 -3,-0.1 -192,-0.1 0.119 105.1-111.6-102.7 24.7 18.0 7.6 -12.6 300 300 A D <> + 0 0 18 -3,-2.2 4,-2.2 -194,-0.1 5,-0.5 0.806 61.4 150.4 53.9 42.7 19.8 10.2 -10.4 301 301 A A H >>S+ 0 0 0 3,-0.2 5,-2.1 2,-0.2 4,-1.6 0.887 80.4 48.6 -65.4 -35.8 20.3 8.1 -7.3 302 302 A W H 4>S+ 0 0 27 3,-0.2 5,-2.5 2,-0.2 6,-0.3 0.986 112.7 41.8 -67.3 -61.1 23.4 10.3 -6.9 303 303 A A H 45S+ 0 0 0 3,-0.2 5,-0.3 -6,-0.2 -17,-0.2 0.869 128.2 32.3 -55.6 -39.9 21.9 13.8 -7.5 304 304 A I H X5S+ 0 0 10 -4,-2.2 4,-0.9 3,-0.2 -3,-0.2 0.954 135.2 19.1 -84.8 -58.2 18.8 13.0 -5.4 305 305 A H H X5S+ 0 0 14 -4,-1.6 4,-2.9 -5,-0.5 5,-0.3 0.924 127.0 48.1 -81.0 -47.9 19.9 10.6 -2.7 306 306 A G H >X S+ 0 0 23 -4,-1.9 3,-1.1 -3,-0.3 4,-0.6 0.891 107.0 61.7 -74.8 -41.0 25.2 18.2 7.5 315 315 A A H >X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.3 3,-1.1 0.787 91.8 67.8 -55.9 -29.3 22.0 20.2 8.2 316 316 A V H 3X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.3 -1,-0.3 0.933 97.8 52.5 -56.8 -44.7 21.6 18.1 11.3 317 317 A G H << S+ 0 0 0 -3,-1.1 13,-2.9 -4,-0.6 21,-0.5 0.651 116.2 39.8 -66.5 -15.7 24.7 19.8 12.7 318 318 A I H << S+ 0 0 42 -3,-1.1 13,-1.6 -4,-0.6 14,-0.2 0.814 125.7 28.3 -99.7 -41.0 23.2 23.2 12.0 319 319 A L H < S+ 0 0 18 -4,-3.0 -51,-0.4 11,-0.1 -3,-0.2 0.479 71.1 135.5-106.0 -4.8 19.5 22.8 12.9 320 320 A A < - 0 0 0 -4,-2.0 9,-2.8 -5,-0.3 -53,-0.2 -0.240 44.2-150.5 -48.5 125.2 19.2 20.2 15.7 321 321 A N >> - 0 0 13 -55,-2.7 3,-2.3 7,-0.2 4,-1.6 -0.909 9.8-154.4-106.8 113.5 16.8 21.7 18.1 322 322 A P H 3> S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.774 96.0 62.6 -55.9 -28.2 17.4 20.6 21.7 323 323 A E H 34 S+ 0 0 184 2,-0.2 -56,-0.1 1,-0.2 5,-0.1 0.729 106.6 46.6 -70.7 -18.7 13.7 21.3 22.5 324 324 A V H <4 S- 0 0 37 -3,-2.3 -1,-0.2 -58,-0.3 -57,-0.1 0.941 142.1 -14.0 -85.9 -56.1 12.9 18.7 19.9 325 325 A N H < S- 0 0 53 -4,-1.6 2,-2.4 -59,-0.5 -2,-0.2 -0.096 91.2-100.1-143.4 41.5 15.2 15.8 20.9 326 326 A G S < S+ 0 0 59 -4,-2.4 -3,-0.1 -5,-0.2 -60,-0.1 -0.133 91.1 108.6 72.3 -47.0 17.8 17.1 23.3 327 327 A Y - 0 0 115 -2,-2.4 -2,-0.4 -6,-0.2 2,-0.4 -0.357 53.4-160.2 -65.9 142.9 20.5 17.4 20.6 328 328 A A - 0 0 18 -7,-0.2 9,-0.3 -6,-0.1 -7,-0.2 -0.973 1.8-152.6-129.2 141.8 21.4 20.9 19.5 329 329 A G > > - 0 0 0 -9,-2.8 5,-2.3 -2,-0.4 3,-2.0 -0.350 42.0 -77.6-102.0-175.1 23.1 22.3 16.4 330 330 A L G > 5S+ 0 0 71 -13,-2.9 3,-2.1 1,-0.3 -12,-0.2 0.922 129.1 50.9 -46.4 -58.8 25.2 25.3 15.6 331 331 A L G 3 5S+ 0 0 118 -13,-1.6 -1,-0.3 1,-0.3 -12,-0.1 0.603 108.7 55.3 -61.0 -8.4 22.3 27.7 15.4 332 332 A F G < 5S- 0 0 84 -3,-2.0 -1,-0.3 -14,-0.2 -2,-0.2 -0.037 131.7 -89.4-113.1 29.2 21.3 26.4 18.8 333 333 A G T < 5S+ 0 0 66 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.2 0.427 94.5 111.5 83.0 2.6 24.7 27.1 20.4 334 334 A N >< + 0 0 40 -5,-2.3 4,-0.6 1,-0.2 3,-0.3 -0.812 29.5 170.1-118.0 100.0 26.5 23.9 19.7 335 335 A P H > S+ 0 0 65 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.811 73.4 70.6 -69.9 -31.0 29.4 24.0 17.2 336 336 A Q H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.868 90.8 56.4 -55.7 -44.1 30.6 20.5 18.1 337 337 A L H > S+ 0 0 10 -3,-0.3 4,-2.3 -9,-0.3 -1,-0.2 0.903 104.4 54.4 -57.7 -40.6 27.6 18.6 16.5 338 338 A L H X S+ 0 0 34 -4,-0.6 4,-2.7 -21,-0.5 -1,-0.2 0.919 107.8 49.2 -59.8 -44.6 28.4 20.3 13.2 339 339 A V H X S+ 0 0 82 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.876 109.4 52.1 -63.8 -37.7 32.0 19.1 13.3 340 340 A S H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.917 111.6 47.3 -64.2 -41.7 30.9 15.5 14.1 341 341 A Q H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.922 110.7 50.3 -66.0 -44.9 28.5 15.7 11.1 342 342 A L H X S+ 0 0 81 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.907 112.0 48.3 -60.2 -42.2 31.1 17.0 8.7 343 343 A I H X S+ 0 0 67 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.967 115.0 45.0 -61.8 -50.8 33.5 14.3 9.7 344 344 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.904 116.1 46.1 -59.1 -45.0 30.9 11.6 9.3 345 345 A V H X S+ 0 0 10 -4,-3.4 4,-2.4 2,-0.2 5,-0.3 0.923 113.6 48.4 -66.5 -44.2 29.7 13.1 6.0 346 346 A A H X S+ 0 0 64 -4,-3.1 4,-2.1 -5,-0.2 5,-0.2 0.935 115.7 45.6 -60.6 -46.3 33.3 13.5 4.7 347 347 A S H X S+ 0 0 31 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.946 116.0 42.5 -62.2 -54.4 34.1 9.9 5.7 348 348 A T H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.869 114.3 51.5 -65.1 -36.7 31.0 8.2 4.4 349 349 A T H X S+ 0 0 25 -4,-2.4 4,-2.0 -5,-0.3 5,-0.2 0.946 114.4 41.7 -65.6 -47.7 31.0 10.1 1.1 350 350 A A H X S+ 0 0 49 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 0.920 117.0 47.3 -65.9 -45.8 34.6 9.3 0.3 351 351 A Y H X>S+ 0 0 74 -4,-2.4 4,-2.9 -5,-0.2 5,-0.6 0.949 111.4 50.2 -61.8 -51.1 34.4 5.7 1.4 352 352 A A H X5S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 5,-0.2 0.924 116.8 41.4 -55.0 -47.6 31.2 5.0 -0.5 353 353 A F H X5S+ 0 0 46 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.973 121.1 39.5 -66.9 -53.1 32.5 6.4 -3.7 354 354 A L H X5S+ 0 0 96 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.900 118.4 43.9 -66.0 -45.1 36.1 5.0 -3.6 355 355 A V H X5S+ 0 0 28 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.882 113.2 51.4 -69.6 -38.4 35.3 1.5 -2.2 356 356 A T H XS+ 0 0 3 -4,-2.7 4,-3.5 1,-0.2 5,-1.8 0.914 113.2 54.3 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2,-0.2 -1,-0.1 0.888 119.4 52.3 -60.5 -38.8 25.6 -4.6 -27.2 374 374 A Q H > S+ 0 0 127 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.847 107.9 50.3 -68.4 -33.6 23.0 -6.8 -28.8 375 375 A E H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 8,-0.3 0.904 110.2 50.3 -69.5 -38.0 21.4 -7.6 -25.5 376 376 A E H < S+ 0 0 7 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 112.1 50.4 -64.2 -36.7 21.3 -3.9 -24.7 377 377 A Y H < S+ 0 0 185 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.938 115.6 37.7 -67.5 -49.0 19.7 -3.5 -28.1 378 378 A V H < S- 0 0 71 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.707 121.1-109.4 -76.9 -18.4 17.0 -6.1 -27.8 379 379 A G X - 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.034 14.8 -99.3 102.8 147.1 16.5 -5.2 -24.2 380 380 A L H >>S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.8 0.662 112.6 71.2 -76.8 -16.4 17.2 -6.9 -20.9 381 381 A D H >5S+ 0 0 4 -347,-2.1 6,-2.2 3,-0.2 4,-1.0 0.972 113.4 28.6 -61.7 -48.8 13.7 -8.2 -20.4 382 382 A L H >5S+ 0 0 86 -348,-0.5 4,-1.4 4,-0.3 -2,-0.2 0.963 128.4 41.2 -73.7 -55.1 14.2 -10.6 -23.3 383 383 A S H <5S+ 0 0 32 -4,-2.2 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