==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/INHIBITOR 20-MAY-13 3WBN . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR Y.TANAKA,R.ISHITANI,O.NUREKI . 468 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 84.6 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.2 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 2 1 1 0 0 1 1 1 1 0 1 0 0 1 0 0 0 1 1 0 1 0 1 0 4 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 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 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 5 A T 0 0 127 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -56.6 358.4 -10.4 8.7 2 6 A T > - 0 0 33 1,-0.1 4,-2.0 157,-0.1 5,-0.2 -0.705 360.0-116.7 -99.7 159.6 356.4 -11.6 11.7 3 7 A K H > S+ 0 0 79 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.856 116.2 53.5 -60.4 -36.1 354.6 -15.0 11.9 4 8 A G H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 107.4 49.2 -68.1 -39.0 351.3 -13.1 12.2 5 9 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 110.7 50.6 -67.9 -38.2 351.9 -11.0 9.0 6 10 A Q H < S+ 0 0 113 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.844 109.1 52.3 -68.5 -33.2 352.8 -14.1 7.1 7 11 A L H >< S+ 0 0 24 -4,-1.7 3,-1.0 2,-0.2 8,-0.3 0.939 111.6 46.0 -63.3 -48.6 349.6 -15.8 8.3 8 12 A L H 3< S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.873 115.7 45.5 -60.8 -41.1 347.6 -12.8 7.1 9 13 A R T 3< S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.381 110.2 67.7 -87.2 3.9 349.3 -12.7 3.7 10 14 A G S < S- 0 0 25 -3,-1.0 -3,-0.1 -4,-0.3 -4,-0.0 -0.027 103.8 -23.3-103.6-154.3 349.1 -16.4 3.2 11 15 A D > - 0 0 90 1,-0.1 4,-2.0 2,-0.1 3,-0.4 -0.387 56.4-140.3 -59.1 125.2 346.3 -18.9 2.6 12 16 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.808 98.0 55.1 -60.8 -35.0 343.0 -17.4 3.9 13 17 A K H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.861 108.5 47.4 -69.1 -38.2 341.7 -20.7 5.4 14 18 A K H > S+ 0 0 97 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.931 114.1 47.2 -66.7 -45.8 344.8 -21.2 7.5 15 19 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -8,-0.3 5,-0.3 0.912 109.3 54.5 -61.1 -44.7 344.7 -17.6 8.8 16 20 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.910 115.1 39.1 -55.7 -45.4 341.0 -17.9 9.5 17 21 A V H X S+ 0 0 48 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.911 117.0 48.4 -72.4 -43.7 341.5 -21.0 11.7 18 22 A R H < S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.621 117.6 41.4 -77.9 -13.0 344.8 -19.9 13.4 19 23 A L H X S+ 0 0 8 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.758 113.3 51.0 -99.9 -32.9 343.4 -16.5 14.3 20 24 A S H X S+ 0 0 4 -4,-1.6 4,-2.4 -5,-0.3 5,-0.2 0.907 102.6 58.6 -72.2 -43.3 339.9 -17.5 15.4 21 25 A I H X S+ 0 0 77 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.914 105.6 46.1 -58.6 -50.5 340.9 -20.2 17.9 22 26 A P H > S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.838 113.1 53.2 -62.2 -28.4 343.1 -18.1 20.2 23 27 A M H X S+ 0 0 6 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.896 107.3 49.7 -69.3 -41.4 340.3 -15.5 20.1 24 28 A M H X S+ 0 0 36 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.894 111.4 50.2 -60.9 -41.1 337.7 -18.1 21.2 25 29 A I H X S+ 0 0 77 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.929 110.6 48.9 -63.1 -47.3 340.0 -19.2 24.0 26 30 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.897 112.7 47.0 -58.8 -43.9 340.5 -15.6 25.2 27 31 A M H X S+ 0 0 27 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.772 107.2 58.3 -72.2 -25.8 336.8 -14.9 25.2 28 32 A S H X S+ 0 0 54 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.870 106.0 48.2 -70.4 -37.1 336.1 -18.2 27.0 29 33 A V H X S+ 0 0 29 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.902 110.0 52.0 -68.9 -41.6 338.3 -17.1 29.9 30 34 A Q H X S+ 0 0 77 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.884 110.4 49.6 -58.2 -39.3 336.6 -13.7 30.0 31 35 A T H X S+ 0 0 27 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 108.6 52.1 -66.9 -41.4 333.3 -15.6 30.2 32 36 A L H X S+ 0 0 105 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.884 107.1 53.9 -61.3 -40.0 334.6 -17.8 33.0 33 37 A Y H X S+ 0 0 26 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.932 108.5 48.6 -57.6 -48.9 335.6 -14.6 34.9 34 38 A N H X S+ 0 0 97 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.885 112.1 47.8 -62.0 -41.4 332.1 -13.3 34.6 35 39 A L H X S+ 0 0 62 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.936 113.7 46.9 -65.4 -47.2 330.4 -16.5 35.8 36 40 A A H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.910 112.0 51.6 -59.5 -43.7 332.8 -16.8 38.8 37 41 A D H X S+ 0 0 20 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.880 105.2 55.1 -62.3 -39.6 332.2 -13.1 39.6 38 42 A G H X S+ 0 0 39 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.830 107.8 50.7 -63.1 -32.3 328.5 -13.6 39.6 39 43 A I H X S+ 0 0 114 -4,-1.4 4,-0.9 -3,-0.3 -2,-0.2 0.922 110.7 47.3 -70.9 -45.5 328.8 -16.4 42.1 40 44 A W H >< S+ 0 0 86 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.938 115.0 45.6 -59.5 -49.1 331.0 -14.3 44.5 41 45 A V H >< S+ 0 0 4 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.830 103.9 62.7 -66.7 -33.7 328.7 -11.3 44.3 42 46 A S H >< S+ 0 0 67 -4,-1.6 3,-0.8 1,-0.3 -1,-0.2 0.784 98.7 56.3 -64.7 -25.9 325.5 -13.3 44.8 43 47 A G T << S+ 0 0 56 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.436 93.5 70.0 -86.9 1.1 326.6 -14.5 48.2 44 48 A L T < S- 0 0 45 -3,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.520 108.1-116.0 -91.1 -8.3 327.0 -10.8 49.3 45 49 A G X> - 0 0 22 -3,-0.8 4,-1.7 -4,-0.3 3,-0.9 -0.044 36.6 -57.7 92.4 164.1 323.2 -10.3 49.3 46 50 A P H 3> S+ 0 0 83 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.727 124.6 61.2 -51.2 -38.8 320.7 -8.2 47.4 47 51 A E H 3> S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 -2,-0.1 0.902 110.7 39.8 -59.7 -43.8 322.2 -4.8 48.3 48 52 A S H <> S+ 0 0 14 -3,-0.9 4,-1.9 -4,-0.3 -1,-0.2 0.873 115.5 52.4 -71.7 -38.4 325.5 -5.7 46.6 49 53 A L H X S+ 0 0 38 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.839 110.8 47.8 -65.5 -34.2 323.7 -7.4 43.7 50 54 A A H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.815 107.5 55.6 -77.2 -32.4 321.6 -4.3 43.1 51 55 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.909 110.8 45.2 -62.8 -43.9 324.6 -2.0 43.2 52 56 A V H X S+ 0 0 40 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.910 112.4 50.7 -66.2 -44.2 326.2 -4.0 40.4 53 57 A G H < S+ 0 0 6 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.870 107.4 54.7 -61.1 -39.4 322.9 -4.1 38.4 54 58 A L H < S+ 0 0 3 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.909 112.0 42.8 -57.6 -45.1 322.6 -0.3 38.8 55 59 A F H X S+ 0 0 6 -4,-1.5 4,-2.0 1,-0.2 3,-0.5 0.653 89.2 96.4 -79.5 -16.8 326.1 0.3 37.3 56 60 A F H X S+ 0 0 72 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.803 80.8 47.7 -46.2 -47.7 325.7 -2.3 34.6 57 61 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.901 110.8 50.5 -68.2 -39.9 324.6 -0.0 31.7 58 62 A V H > S+ 0 0 27 -3,-0.5 4,-2.1 -4,-0.3 -2,-0.2 0.896 111.2 50.8 -59.2 -41.5 327.4 2.6 32.3 59 63 A F H X S+ 0 0 56 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.903 109.3 49.1 -63.4 -44.0 329.9 -0.3 32.3 60 64 A M H X S+ 0 0 55 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.856 108.7 54.5 -64.7 -35.5 328.5 -1.7 29.0 61 65 A G H X S+ 0 0 19 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.922 108.4 48.2 -61.6 -46.5 328.8 1.8 27.5 62 66 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.907 112.5 48.8 -59.4 -45.8 332.4 2.1 28.4 63 67 A I H X S+ 0 0 45 -4,-2.2 4,-3.2 1,-0.2 5,-0.4 0.897 107.9 54.8 -61.6 -42.4 333.1 -1.4 27.0 64 68 A A H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.902 111.4 44.2 -58.5 -43.6 331.3 -0.5 23.7 65 69 A L H X S+ 0 0 65 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.911 116.9 45.5 -68.1 -44.0 333.5 2.6 23.3 66 70 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.935 117.5 42.1 -65.3 -49.6 336.7 0.7 24.1 67 71 A A H X S+ 0 0 20 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.855 111.2 57.5 -67.3 -37.1 336.0 -2.3 22.0 68 72 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.4 5,-0.2 0.936 107.7 46.1 -56.7 -49.5 334.7 -0.2 19.1 69 73 A L H X S+ 0 0 11 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.840 110.9 54.9 -63.8 -33.5 338.0 1.7 18.9 70 74 A G H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.873 108.2 47.5 -66.7 -38.6 339.8 -1.6 19.1 71 75 A V H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.899 112.0 48.6 -71.3 -42.7 337.9 -3.0 16.1 72 76 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.851 113.1 49.6 -63.9 -35.3 338.4 0.1 14.0 73 77 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.927 111.4 48.2 -65.8 -47.9 342.1 -0.0 14.9 74 78 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 113.5 47.1 -60.5 -44.5 342.4 -3.7 14.0 75 79 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.895 112.5 48.3 -66.6 -42.6 340.6 -3.3 10.6 76 80 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.888 114.6 45.8 -67.1 -40.4 342.6 -0.2 9.6 77 81 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.950 111.2 51.6 -66.0 -50.8 345.9 -1.9 10.5 78 82 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.862 109.6 51.0 -54.1 -40.4 345.0 -5.2 8.8 79 83 A R H X S+ 0 0 29 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.893 110.7 46.8 -66.9 -41.0 344.1 -3.4 5.5 80 84 A R H <>S+ 0 0 52 -4,-1.5 5,-2.9 2,-0.2 9,-0.2 0.766 109.0 54.5 -75.9 -25.3 347.4 -1.4 5.4 81 85 A I H ><5S+ 0 0 1 -4,-1.9 3,-1.1 3,-0.2 -1,-0.2 0.845 106.8 53.4 -71.1 -34.9 349.4 -4.5 6.0 82 86 A G H 3<5S+ 0 0 2 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 106.3 51.4 -64.0 -37.9 347.6 -6.1 3.1 83 87 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.352 114.0-118.3 -81.0 6.5 348.6 -3.1 0.9 84 88 A R T < 5 + 0 0 116 -3,-1.1 2,-1.1 1,-0.2 -3,-0.2 0.812 67.5 147.7 56.4 31.2 352.3 -3.6 2.0 85 89 A D >< + 0 0 67 -5,-2.9 4,-1.8 1,-0.2 -1,-0.2 -0.686 14.9 166.4 -99.3 79.7 351.8 -0.1 3.4 86 90 A K H > S+ 0 0 56 -2,-1.1 4,-2.3 1,-0.2 136,-0.2 0.899 72.5 48.6 -66.9 -47.0 354.2 -0.4 6.4 87 91 A E H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.799 110.6 55.3 -64.5 -28.2 354.5 3.3 7.3 88 92 A G H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 107.9 46.8 -69.0 -43.3 350.7 3.5 7.1 89 93 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.876 111.3 52.0 -66.8 -40.1 350.2 0.7 9.6 90 94 A D H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.935 112.2 46.5 -57.1 -47.6 352.8 2.3 11.9 91 95 A N H X S+ 0 0 20 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.852 110.1 52.2 -68.6 -36.4 350.9 5.6 11.7 92 96 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.935 109.1 51.1 -61.9 -46.1 347.5 4.0 12.3 93 97 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.891 112.0 46.1 -59.8 -42.3 348.8 2.2 15.4 94 98 A V H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.922 111.0 51.8 -67.3 -45.4 350.2 5.5 16.8 95 99 A H H X S+ 0 0 17 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.856 108.5 54.1 -56.6 -35.7 346.9 7.3 16.0 96 100 A S H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.860 107.0 48.6 -70.0 -36.6 345.1 4.6 17.8 97 101 A L H X S+ 0 0 20 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.872 111.5 49.2 -72.1 -38.4 347.1 4.9 21.0 98 102 A I H X S+ 0 0 58 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.890 111.5 51.1 -63.3 -40.3 346.7 8.7 21.1 99 103 A L H X S+ 0 0 32 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.833 104.3 57.4 -65.4 -32.9 343.0 8.0 20.6 100 104 A S H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.886 109.0 45.9 -65.2 -37.6 343.0 5.6 23.5 101 105 A L H X S+ 0 0 90 -4,-1.5 4,-2.3 2,-0.2 5,-0.4 0.933 115.2 46.0 -68.6 -47.3 344.3 8.3 25.7 102 106 A I H X S+ 0 0 95 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.948 119.6 39.0 -62.5 -52.1 341.8 10.9 24.5 103 107 A L H X S+ 0 0 44 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.935 117.7 48.9 -64.0 -49.1 338.8 8.6 24.7 104 108 A G H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 40,-0.3 0.913 116.1 40.2 -60.3 -49.0 339.8 6.9 27.9 105 109 A V H X S+ 0 0 61 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.830 112.3 57.6 -72.0 -31.9 340.5 10.0 29.9 106 110 A T H X S+ 0 0 64 -4,-1.7 4,-1.8 -5,-0.4 5,-0.2 0.919 105.5 50.6 -62.7 -43.7 337.5 11.8 28.4 107 111 A I H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.922 111.8 49.2 -56.2 -45.7 335.2 9.1 29.8 108 112 A T H X S+ 0 0 20 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.942 114.4 41.1 -62.2 -52.4 336.8 9.5 33.2 109 113 A I H < S+ 0 0 110 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.715 117.5 49.0 -73.3 -21.7 336.5 13.3 33.5 110 114 A T H < S+ 0 0 83 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.875 119.2 35.4 -80.3 -40.4 333.0 13.3 32.0 111 115 A M H X S+ 0 0 43 -4,-2.3 4,-1.7 -5,-0.2 3,-0.4 0.751 103.2 70.2 -91.1 -26.3 331.5 10.6 34.2 112 116 A L T < S+ 0 0 69 -4,-2.2 4,-0.4 -5,-0.3 3,-0.2 0.923 105.3 39.3 -59.2 -47.6 333.3 11.2 37.5 113 117 A P T 4 S+ 0 0 106 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.613 119.5 50.1 -78.4 -8.0 331.5 14.5 38.3 114 118 A A T > S+ 0 0 36 -3,-0.4 4,-2.1 -4,-0.2 3,-0.3 0.688 89.0 78.9 -97.0 -21.8 328.2 13.0 36.9 115 119 A I H X S+ 0 0 6 -4,-1.7 4,-1.9 -3,-0.2 5,-0.2 0.766 85.0 57.5 -68.7 -30.2 328.0 9.7 38.7 116 120 A D H > S+ 0 0 79 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.932 116.9 32.9 -68.1 -45.7 326.7 10.8 42.2 117 121 A S H > S+ 0 0 72 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.839 114.6 61.2 -78.2 -34.1 323.6 12.5 40.9 118 122 A L H < S+ 0 0 63 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.931 108.5 40.8 -58.3 -50.3 323.1 10.1 38.0 119 123 A F H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.705 116.0 52.0 -74.6 -20.0 322.7 7.0 40.2 120 124 A R H < S+ 0 0 108 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.758 98.5 66.0 -80.9 -27.9 320.6 9.1 42.6 121 125 A S S < S+ 0 0 96 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.617 89.4 82.0 -71.8 -13.1 318.4 10.1 39.7 122 126 A M S S- 0 0 51 -4,-0.4 333,-0.1 -3,-0.2 -3,-0.0 -0.276 99.8-100.1 -80.2 177.9 317.2 6.5 39.3 123 127 A G S S+ 0 0 80 333,-0.1 -1,-0.1 -2,-0.1 -3,-0.1 0.776 88.9 96.5 -73.2 -27.6 314.5 5.1 41.5 124 128 A A - 0 0 20 -5,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.010 48.3-179.2 -66.3 166.8 316.7 3.2 44.0 125 129 A K + 0 0 83 4,-0.0 3,-0.4 0, 0.0 4,-0.2 -0.934 34.2 34.5-154.2 171.6 317.8 4.4 47.4 126 130 A G S >> S- 0 0 52 -2,-0.3 4,-1.4 1,-0.2 3,-0.6 -0.389 106.2 -16.1 82.2-151.2 319.9 3.4 50.4 127 131 A E H 3> S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.857 125.5 62.0 -65.2 -41.0 323.1 1.4 50.7 128 132 A A H 3> S+ 0 0 13 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.837 105.3 49.0 -56.8 -35.7 323.0 -0.2 47.2 129 133 A V H <> S+ 0 0 4 -3,-0.6 4,-2.2 -4,-0.2 -1,-0.2 0.911 109.7 51.2 -69.1 -43.6 323.2 3.3 45.6 130 134 A E H X S+ 0 0 82 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.902 112.6 46.3 -59.4 -43.1 326.2 4.2 47.8 131 135 A L H X S+ 0 0 26 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.903 109.6 54.8 -65.5 -41.9 328.0 1.0 46.8 132 136 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.881 109.1 47.6 -59.9 -41.1 327.1 1.6 43.1 133 137 A I H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.928 114.9 44.8 -65.6 -46.8 328.7 5.0 43.2 134 138 A E H X S+ 0 0 81 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.886 114.9 49.7 -64.0 -39.3 331.8 3.8 45.0 135 139 A Y H X S+ 0 0 13 -4,-3.1 4,-1.5 1,-0.2 3,-0.3 0.950 112.2 46.6 -63.8 -50.0 332.0 0.8 42.6 136 140 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.853 106.2 59.8 -61.3 -38.1 331.6 3.0 39.5 137 141 A R H X S+ 0 0 120 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.888 104.7 49.7 -58.1 -41.2 334.2 5.5 40.8 138 142 A V H < S+ 0 0 11 -4,-1.4 4,-0.4 -3,-0.3 -1,-0.2 0.906 114.9 42.4 -66.0 -43.3 336.9 2.7 40.8 139 143 A L H >< S+ 0 0 3 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.860 110.5 55.1 -74.9 -35.7 336.1 1.5 37.3 140 144 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 4,-0.3 0.826 99.9 63.0 -63.9 -30.7 335.8 5.0 35.9 141 145 A A T 3< S+ 0 0 64 -4,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.730 108.4 41.8 -64.4 -22.9 339.3 5.7 37.3 142 146 A G T <> S+ 0 0 1 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.3 0.197 76.5 114.8-110.6 15.2 340.6 3.0 34.9 143 147 A A H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -38,-0.2 0.849 80.9 49.7 -52.1 -39.5 338.6 3.9 31.9 144 148 A F H > S+ 0 0 61 -4,-0.3 4,-2.9 -40,-0.3 -1,-0.2 0.895 108.0 52.8 -66.2 -42.3 341.8 4.8 30.1 145 149 A I H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.892 109.5 50.5 -58.5 -41.3 343.3 1.5 31.1 146 150 A I H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.928 113.2 43.6 -62.5 -48.8 340.3 -0.3 29.6 147 151 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.922 113.2 51.6 -64.3 -46.4 340.5 1.6 26.3 148 152 A F H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.895 108.8 52.0 -57.0 -43.3 344.3 1.1 26.0 149 153 A N H X S+ 0 0 19 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.859 111.6 46.0 -63.2 -36.7 343.9 -2.6 26.6 150 154 A N H X S+ 0 0 45 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.843 112.9 49.5 -74.8 -34.0 341.3 -2.9 23.8 151 155 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.873 110.7 50.3 -71.6 -39.0 343.4 -0.8 21.4 152 156 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.908 109.5 51.1 -63.1 -43.5 346.5 -2.9 22.1 153 157 A N H X S+ 0 0 15 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.902 110.3 50.2 -59.2 -41.7 344.5 -6.0 21.5 154 158 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.823 107.3 53.2 -66.6 -33.6 343.3 -4.6 18.2 155 159 A I H X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.922 112.0 45.8 -66.5 -43.4 346.9 -3.7 17.2 156 160 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 3,-0.8 0.942 116.0 43.9 -63.2 -50.9 347.9 -7.3 17.8 157 161 A R H ><5S+ 0 0 33 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.819 107.1 63.7 -63.1 -30.9 344.9 -8.8 16.0 158 162 A G H 3<5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 107.8 40.6 -62.8 -30.6 345.6 -6.2 13.3 159 163 A E T <<5S- 0 0 3 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 -0.040 122.4-100.0-111.1 30.4 348.9 -7.8 12.5 160 164 A G T < 5S+ 0 0 4 -3,-1.4 2,-1.0 1,-0.2 3,-0.3 0.615 82.2 131.4 68.0 15.0 347.8 -11.4 12.8 161 165 A D >< + 0 0 31 -5,-2.8 4,-1.3 -6,-0.2 3,-0.2 -0.529 12.3 147.9 -98.8 68.0 349.2 -11.9 16.3 162 166 A A H > + 0 0 4 -2,-1.0 4,-3.2 1,-0.2 -1,-0.2 0.790 63.5 68.4 -70.5 -28.3 346.1 -13.5 17.9 163 167 A N H > S+ 0 0 104 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.918 106.2 37.8 -57.5 -48.6 348.3 -15.5 20.3 164 168 A R H > S+ 0 0 41 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.801 114.6 56.1 -73.2 -30.4 349.5 -12.5 22.2 165 169 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.912 111.4 44.7 -63.2 -42.7 346.0 -11.0 21.9 166 170 A M H X S+ 0 0 40 -4,-3.2 4,-2.9 2,-0.2 3,-0.3 0.944 110.4 54.3 -62.0 -50.5 344.8 -14.2 23.5 167 171 A L H X S+ 0 0 73 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.895 106.4 51.0 -54.1 -46.4 347.5 -14.1 26.2 168 172 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.870 111.9 47.5 -61.5 -39.3 346.6 -10.6 27.3 169 173 A M H X S+ 0 0 16 -4,-1.4 4,-2.8 -3,-0.3 5,-0.4 0.926 113.3 48.5 -64.9 -45.7 342.9 -11.6 27.7 170 174 A V H X S+ 0 0 48 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.919 112.8 48.0 -60.4 -46.5 344.0 -14.7 29.6 171 175 A L H X S+ 0 0 55 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.945 115.5 44.0 -59.5 -51.6 346.3 -12.8 31.9 172 176 A G H X S+ 0 0 9 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.948 120.0 38.6 -61.0 -53.6 343.7 -10.1 32.6 173 177 A S H X S+ 0 0 15 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.859 116.8 51.9 -67.8 -36.8 340.7 -12.4 33.2 174 178 A G H X S+ 0 0 26 -4,-2.5 4,-1.7 -5,-0.4 -2,-0.2 0.917 110.4 48.0 -65.4 -44.4 342.7 -15.0 35.0 175 179 A L H X S+ 0 0 49 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.882 109.6 52.9 -63.2 -38.8 344.2 -12.4 37.4 176 180 A N H X S+ 0 0 6 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.857 106.8 53.9 -64.8 -33.7 340.7 -11.0 38.0 177 181 A I H < S+ 0 0 55 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.869 111.6 44.5 -66.2 -39.0 339.6 -14.5 38.9 178 182 A V H X S+ 0 0 84 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.917 115.9 46.0 -69.6 -45.2 342.4 -14.9 41.4 179 183 A L H X S+ 0 0 20 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.757 95.5 77.9 -73.2 -26.3 341.9 -11.4 43.0 180 184 A D H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.4 0.944 101.1 33.5 -53.8 -61.7 338.1 -11.7 43.3 181 185 A P H >>S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 5,-1.9 0.881 118.3 56.0 -66.9 -31.6 337.7 -13.9 46.4 182 186 A I H <>S+ 0 0 66 -4,-0.9 5,-2.6 3,-0.2 6,-0.3 0.926 116.4 35.0 -60.0 -46.1 340.9 -12.4 47.9 183 187 A F H <5S+ 0 0 30 -4,-3.1 6,-2.0 3,-0.2 7,-0.3 0.900 124.5 40.7 -78.1 -42.9 339.5 -8.8 47.7 184 188 A I H <5S+ 0 0 3 -4,-2.8 6,-1.8 -5,-0.3 -2,-0.2 0.950 134.5 9.7 -71.0 -51.0 335.8 -9.5 48.3 185 189 A Y T <5S+ 0 0 100 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.883 127.1 45.5-102.7 -48.7 336.1 -12.1 51.1 186 190 A T T - 0 0 122 -6,-2.0 3,-0.7 1,-0.2 4,-0.3 0.577 46.0-157.0 -84.8 -8.5 336.1 -5.3 51.0 190 194 A G T >> - 0 0 21 -6,-1.8 3,-1.3 -7,-0.3 4,-0.6 -0.322 58.4 -15.8 65.9-148.5 332.8 -6.7 49.9 191 195 A V H >> S+ 0 0 3 1,-0.3 3,-1.0 2,-0.2 4,-0.9 0.805 133.7 59.6 -64.4 -32.8 331.4 -5.8 46.4 192 196 A V H <> S+ 0 0 7 -3,-0.7 4,-1.9 1,-0.3 -1,-0.3 0.762 94.4 68.8 -66.8 -22.2 333.8 -2.8 45.9 193 197 A G H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.3 0.842 93.5 55.7 -62.1 -34.6 336.6 -5.3 46.2 194 198 A A H S+ 0 0 28 -4,-2.8 4,-3.2 1,-0.2 5,-0.6 0.898 110.6 54.3 -60.8 -41.2 353.0 -1.6 27.1 211 215 A Y H X>S+ 0 0 117 -4,-2.5 5,-3.1 -5,-0.2 4,-1.5 0.907 112.4 42.8 -58.8 -45.0 356.0 -3.9 27.6 212 216 A W H <>S+ 0 0 18 -4,-2.3 5,-1.1 3,-0.2 6,-0.7 0.898 120.9 41.4 -66.3 -42.7 355.5 -5.6 24.2 213 217 A L H <5S+ 0 0 1 -4,-2.5 10,-0.3 -5,-0.2 -2,-0.2 0.842 131.5 18.7 -76.9 -35.8 354.7 -2.4 22.4 214 218 A F H <5S+ 0 0 95 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.651 131.9 29.9-115.0 -23.8 357.4 -0.1 23.9 215 219 A V T < S+ 0 0 134 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.766 103.6 68.5 -77.4 -25.8 356.2 9.8 17.8 226 230 A R T 3 S+ 0 0 91 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.860 105.6 39.7 -60.9 -38.7 359.0 10.5 15.3 227 231 A D T 3 S+ 0 0 120 -3,-0.1 2,-0.5 -137,-0.0 -1,-0.3 -0.284 91.6 111.0-107.3 45.5 357.1 8.6 12.6 228 232 A F < - 0 0 56 -3,-1.5 -137,-0.0 -5,-0.1 -3,-0.0 -0.984 42.1-178.9-114.8 119.6 353.7 9.9 13.7 229 233 A S - 0 0 79 -2,-0.5 -134,-0.1 2,-0.0 -3,-0.0 -0.943 34.5-116.0-124.0 109.8 352.1 12.3 11.2 230 234 A P - 0 0 104 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.168 41.8-176.4 -46.5 117.2 348.7 13.7 12.2 231 235 A S > - 0 0 35 1,-0.1 4,-1.9 -140,-0.1 5,-0.1 -0.972 31.0-168.8-130.8 119.2 346.3 12.4 9.6 232 236 A R H > S+ 0 0 208 -2,-0.4 4,-2.0 2,-0.2 5,-0.1 0.754 95.4 58.1 -74.6 -23.3 342.6 13.2 9.2 233 237 A E H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 107.9 45.0 -69.5 -43.4 342.3 10.3 6.7 234 238 A I H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 112.9 51.1 -64.7 -45.1 343.6 7.8 9.2 235 239 A L H X S+ 0 0 65 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.901 113.0 45.7 -58.8 -43.1 341.3 9.2 11.9 236 240 A K H X S+ 0 0 136 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.856 110.5 53.9 -70.0 -35.7 338.3 8.9 9.5 237 241 A D H X S+ 0 0 25 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.922 112.9 42.5 -62.8 -45.9 339.4 5.4 8.5 238 242 A I H >X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 3,-0.8 0.912 116.6 47.2 -66.7 -44.0 339.5 4.2 12.2 239 243 A L H 3X S+ 0 0 72 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.736 98.5 68.1 -74.9 -23.2 336.3 6.0 13.2 240 244 A R H 3< 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267 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.869 109.0 48.8 -69.0 -38.6 309.9 -11.2 29.2 264 268 A I H X S+ 0 0 53 -4,-2.1 4,-1.2 3,-0.2 -1,-0.2 0.795 112.6 50.6 -70.4 -26.6 308.3 -9.6 32.3 265 269 A T H < S+ 0 0 91 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.841 116.6 39.9 -76.6 -35.4 305.2 -9.1 30.2 266 270 A A H < S+ 0 0 26 -4,-1.8 152,-0.3 2,-0.1 -2,-0.2 0.838 140.4 2.0 -83.0 -35.6 305.1 -12.7 29.0 267 271 A G H X S- 0 0 36 -4,-2.6 4,-0.7 1,-0.3 3,-0.3 0.336 92.0-125.0-140.9 9.1 306.1 -14.4 32.2 268 272 A G H X - 0 0 29 -4,-1.2 4,-1.3 -5,-0.3 3,-0.4 -0.262 63.4 -32.9 78.6-166.7 306.5 -12.0 35.1 269 273 A E H >> S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.902 140.4 51.5 -57.5 -46.7 309.6 -11.6 37.3 270 274 A N H 3> S+ 0 0 86 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.804 105.7 56.7 -60.9 -30.7 310.5 -15.3 37.1 271 275 A G H 3X S+ 0 0 1 -4,-0.7 4,-2.3 -3,-0.4 -1,-0.2 0.790 102.8 54.2 -71.0 -30.1 310.2 -15.1 33.3 272 276 A V H X S+ 0 0 10 -4,-2.3 4,-1.2 2,-0.2 3,-0.7 0.910 113.7 49.2 -64.3 -43.8 323.8 -19.9 28.2 282 286 A T H 3< S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.901 107.8 54.0 -62.7 -41.6 323.0 -18.9 24.5 283 287 A M H 3< S+ 0 0 60 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.637 100.1 63.9 -69.8 -13.3 325.7 -16.2 24.6 284 288 A L H X< S+ 0 0 66 -3,-0.7 3,-1.1 -4,-0.6 -1,-0.2 0.923 103.4 46.0 -69.7 -46.4 328.1 -19.0 25.7 285 289 A G T 3< S+ 0 0 8 -4,-1.2 4,-0.3 -3,-0.3 -2,-0.2 0.524 104.7 62.7 -75.7 -6.0 327.6 -20.8 22.4 286 290 A I T >> S+ 0 0 8 -4,-0.5 4,-2.0 1,-0.1 3,-0.6 0.608 79.2 87.9 -91.6 -14.0 328.1 -17.6 20.5 287 291 A V H <> S+ 0 0 9 -3,-1.1 4,-2.3 -4,-0.4 5,-0.2 0.874 84.7 52.3 -51.5 -46.2 331.7 -17.1 21.7 288 292 A P H 3> S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.865 107.7 53.5 -62.0 -32.4 333.2 -19.2 18.9 289 293 A I H <> S+ 0 0 0 -3,-0.6 4,-1.9 -4,-0.3 -2,-0.2 0.913 108.3 49.2 -65.3 -43.7 331.3 -17.0 16.3 290 294 A L H X S+ 0 0 72 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.908 111.2 49.9 -59.2 -43.2 332.8 -13.9 17.9 291 295 A G H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.890 113.7 45.1 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43.6 -61.1 -51.9 340.9 -6.5 5.6 302 306 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.869 114.4 51.1 -62.8 -38.1 344.3 -7.8 4.6 303 307 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 -1,-0.2 0.856 110.3 49.5 -65.7 -36.1 342.8 -9.4 1.5 304 308 A Y H ><5S+ 0 0 88 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.776 107.1 55.2 -73.8 -28.4 341.1 -6.1 0.7 305 309 A G H 3<5S+ 0 0 16 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.793 107.1 50.1 -71.6 -28.8 344.4 -4.3 1.1 306 310 A E T 3<5S- 0 0 52 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.446 112.5-123.2 -83.6 -1.2 345.9 -6.7 -1.4 307 311 A R T < 5 + 0 0 163 -3,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.886 66.3 142.4 54.3 42.3 343.0 -5.8 -3.8 308 312 A N >< + 0 0 55 -5,-2.8 4,-1.8 1,-0.2 -1,-0.2 -0.784 24.1 171.9-117.5 85.9 342.3 -9.6 -3.8 309 313 A V H > S+ 0 0 32 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.828 78.4 58.6 -66.3 -33.8 338.5 -10.1 -3.9 310 314 A E H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 108.2 45.3 -58.6 -47.9 338.9 -13.9 -4.4 311 315 A K H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 112.9 52.6 -64.4 -37.0 340.9 -14.2 -1.2 312 316 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.925 110.8 44.9 -65.3 -47.7 338.4 -12.0 0.6 313 317 A E H X S+ 0 0 31 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.897 112.0 53.1 -64.9 -41.1 335.4 -14.1 -0.5 314 318 A T H X S+ 0 0 48 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.926 110.9 46.0 -59.0 -48.7 337.2 -17.4 0.4 315 319 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.920 114.9 48.6 -58.8 -46.6 338.0 -16.2 3.9 316 320 A Y H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.930 114.4 41.7 -61.1 -52.9 334.4 -14.9 4.4 317 321 A L H X S+ 0 0 57 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.813 113.3 53.8 -69.8 -31.3 332.5 -18.0 3.2 318 322 A Y H X S+ 0 0 60 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.832 105.0 54.1 -72.4 -33.3 334.9 -20.4 5.0 319 323 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.894 110.3 48.0 -64.4 -41.1 334.4 -18.6 8.3 320 324 A I H X S+ 0 0 7 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.934 110.2 51.0 -62.4 -50.3 330.6 -19.1 7.8 321 325 A K H X S+ 0 0 44 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.880 115.9 41.4 -56.7 -42.0 331.0 -22.8 6.9 322 326 A I H X S+ 0 0 43 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.904 114.4 49.4 -76.4 -43.9 333.2 -23.5 10.0 323 327 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.910 110.7 54.0 -58.5 -41.4 331.1 -21.3 12.4 324 328 A F H X S+ 0 0 66 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.925 108.6 46.8 -57.7 -49.4 328.0 -23.2 11.1 325 329 A M H X S+ 0 0 125 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.858 112.3 50.4 -65.0 -36.5 329.4 -26.6 11.8 326 330 A I H X S+ 0 0 54 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.930 109.3 51.0 -65.7 -45.4 330.5 -25.6 15.3 327 331 A E H X S+ 0 0 0 -4,-2.5 4,-4.2 2,-0.2 5,-0.3 0.867 103.4 59.0 -62.1 -38.8 327.1 -24.2 16.2 328 332 A L H X S+ 0 0 87 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.935 111.0 41.9 -51.6 -50.1 325.4 -27.4 15.0 329 333 A A H X S+ 0 0 66 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.881 116.6 49.5 -64.7 -40.2 327.4 -29.2 17.7 330 334 A V H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.933 114.9 42.5 -64.3 -48.4 326.8 -26.4 20.2 331 335 A V H X S+ 0 0 16 -4,-4.2 4,-2.7 2,-0.2 5,-0.3 0.918 113.1 52.4 -66.1 -45.4 323.1 -26.3 19.6 332 336 A A H X S+ 0 0 60 -4,-2.7 4,-2.3 -5,-0.3 5,-0.2 0.928 110.7 48.7 -55.1 -47.9 322.7 -30.1 19.5 333 337 A F H X S+ 0 0 114 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.920 112.7 47.0 -58.2 -48.4 324.6 -30.3 22.9 334 338 A I H < S+ 0 0 9 -4,-2.1 7,-0.2 2,-0.2 -2,-0.2 0.923 115.0 44.4 -62.9 -47.7 322.4 -27.7 24.5 335 339 A M H < S+ 0 0 65 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.861 118.2 46.1 -65.0 -35.6 319.1 -29.1 23.3 336 340 A L H < S+ 0 0 113 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.910 122.2 33.8 -73.7 -45.3 320.2 -32.6 24.3 337 341 A F S X S+ 0 0 83 -4,-3.1 4,-2.6 -5,-0.2 5,-0.3 0.026 80.1 127.9-101.8 27.1 321.6 -31.8 27.7 338 342 A A H > S+ 0 0 0 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.873 73.3 48.4 -49.0 -46.7 319.0 -29.1 28.4 339 343 A P H > S+ 0 0 47 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.908 112.6 49.0 -65.6 -37.1 317.9 -30.5 31.8 340 344 A Q H > S+ 0 0 110 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.890 114.1 44.9 -66.5 -41.9 321.6 -30.9 32.9 341 345 A V H X S+ 0 0 20 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.911 110.2 54.8 -66.7 -43.7 322.4 -27.3 31.8 342 346 A A H < S+ 0 0 0 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.820 103.6 57.3 -60.0 -32.6 319.3 -25.9 33.5 343 347 A Y H >< S+ 0 0 122 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.933 106.2 48.6 -60.9 -47.9 320.3 -27.6 36.7 344 348 A L H 3< S+ 0 0 117 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.754 113.6 46.0 -67.4 -26.5 323.6 -25.7 36.8 345 349 A F T 3< S+ 0 0 62 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.382 111.9 51.1-100.4 2.4 322.0 -22.3 36.1 346 350 A T S < S+ 0 0 2 -3,-1.0 2,-2.3 -4,-0.5 -1,-0.2 -0.271 72.3 152.4-123.8 43.5 319.2 -22.9 38.7 347 351 A Y + 0 0 178 -3,-0.5 2,-0.3 3,-0.1 -3,-0.1 -0.387 48.1 63.3 -80.8 64.1 321.7 -23.8 41.4 348 352 A S S S- 0 0 54 -2,-2.3 4,-0.3 1,-0.1 3,-0.1 -0.944 87.2-107.6-172.5 161.7 319.7 -22.7 44.4 349 353 A E S S+ 0 0 97 -2,-0.3 3,-0.4 1,-0.2 4,-0.2 0.804 118.1 50.6 -66.8 -29.8 316.4 -23.4 46.2 350 354 A S S > S+ 0 0 100 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.773 107.2 51.5 -82.3 -27.5 314.8 -20.2 45.0 351 355 A A G > S+ 0 0 21 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.401 84.1 93.1 -89.1 2.5 315.7 -20.7 41.3 352 356 A Q G > S+ 0 0 94 -3,-0.4 3,-0.9 -4,-0.3 4,-0.4 0.798 76.1 62.3 -64.2 -30.1 314.2 -24.2 41.4 353 357 A V G < S+ 0 0 103 -3,-0.6 4,-0.3 1,-0.2 3,-0.3 0.790 102.8 47.8 -69.1 -29.7 310.8 -22.9 40.1 354 358 A I G <> S+ 0 0 8 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.398 84.2 95.2 -94.0 2.7 312.1 -21.6 36.8 355 359 A K H <> S+ 0 0 44 -3,-0.9 4,-2.2 -4,-0.3 -1,-0.2 0.921 83.7 49.0 -59.8 -49.1 314.0 -24.8 35.9 356 360 A G H > S+ 0 0 43 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.856 113.1 47.8 -60.3 -38.3 311.3 -26.4 33.8 357 361 A D H > S+ 0 0 81 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.813 108.4 54.9 -71.3 -32.3 310.8 -23.1 31.9 358 362 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.908 105.7 53.0 -66.8 -40.8 314.6 -22.8 31.4 359 363 A I H X S+ 0 0 35 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.924 108.8 48.8 -59.1 -47.6 314.6 -26.3 29.8 360 364 A S H >< S+ 0 0 61 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.901 111.9 49.3 -59.3 -43.8 311.8 -25.3 27.3 361 365 A A H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-1.4 0.888 109.3 52.4 -61.3 -40.3 313.8 -22.1 26.4 362 366 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.658 107.3 53.1 -71.8 -15.5 316.9 -24.2 25.9 363 367 A R T << S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.233 126.0 21.0-100.7 12.5 315.0 -26.5 23.6 364 368 A T T X4 S+ 0 0 16 -3,-1.4 3,-1.4 -5,-0.1 4,-0.2 0.486 115.2 54.3-137.8 -64.2 313.8 -23.6 21.4 365 369 A L G >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.838 97.9 60.4 -52.0 -47.4 315.9 -20.4 21.7 366 370 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.655 81.7 88.2 -64.8 -11.3 319.4 -21.7 20.9 367 371 A V G X S+ 0 0 55 -3,-1.4 3,-1.5 1,-0.3 4,-0.2 0.811 77.1 63.9 -54.7 -33.7 318.3 -22.8 17.5 368 372 A F G X> S+ 0 0 2 -3,-1.4 3,-2.2 1,-0.3 4,-1.8 0.730 80.7 81.6 -65.8 -22.1 319.1 -19.4 16.0 369 373 A L G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.726 85.6 59.9 -53.7 -23.3 322.8 -19.9 16.7 370 374 A V G <4 S+ 0 0 24 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.642 108.7 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107.9 59.0 -69.5 -32.0 334.2 -4.0 8.9 384 388 A G H 3<5S+ 0 0 0 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 108.3 43.7 -65.0 -37.6 337.2 -5.6 7.2 385 389 A I T 3<5S- 0 0 8 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.396 122.6-108.1 -89.0 2.1 336.7 -3.4 4.1 386 390 A G T < 5S+ 0 0 3 -3,-0.7 2,-1.3 -4,-0.1 3,-0.2 0.463 80.5 127.9 92.0 2.4 336.1 -0.4 6.3 387 391 A E >>< + 0 0 14 -5,-2.4 4,-1.0 -6,-0.2 3,-0.9 -0.539 19.9 158.3 -94.6 70.4 332.4 -0.0 5.8 388 392 A G H 3> + 0 0 1 -2,-1.3 4,-2.4 -148,-0.5 -1,-0.2 0.805 66.0 65.8 -61.3 -33.2 331.3 0.1 9.4 389 393 A E H 3> S+ 0 0 59 -149,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.798 100.1 51.8 -63.4 -28.6 328.0 1.8 8.7 390 394 A K H <> S+ 0 0 47 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.865 109.3 49.7 -72.8 -37.3 326.8 -1.3 6.8 391 395 A S H X S+ 0 0 2 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.882 110.8 50.7 -67.2 -38.8 327.7 -3.4 9.8 392 396 A L H X S+ 0 0 28 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.927 110.0 48.5 -63.2 -48.1 325.7 -1.0 12.0 393 397 A I H X S+ 0 0 96 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.909 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