==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-JUL-12 3VVO . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR Y.TANAKA,R.ISHITANI,O.NUREKI . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 87.3 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 . 0 0.0 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 . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 1 2 1 1 1 1 1 2 0 1 0 0 1 0 0 0 1 0 1 1 1 1 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 . 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 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 4 A K 0 0 129 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.4 353.6 0.2 152.9 2 5 A T - 0 0 73 4,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.703 360.0-140.0-134.9-177.3 350.7 -1.8 154.3 3 6 A T > - 0 0 40 -2,-0.2 4,-2.0 157,-0.1 5,-0.2 -0.847 38.1 -97.3-137.9 177.6 349.2 -3.6 157.3 4 7 A K H > S+ 0 0 85 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.879 123.8 49.0 -65.8 -38.0 347.3 -6.8 158.1 5 8 A G H > S+ 0 0 11 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.882 109.0 51.6 -68.5 -41.4 344.0 -5.0 158.0 6 9 A V H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.907 108.4 50.8 -63.2 -43.9 344.7 -3.3 154.7 7 10 A Q H < S+ 0 0 126 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.844 105.7 59.0 -60.3 -33.9 345.6 -6.5 153.0 8 11 A L H >< S+ 0 0 41 -4,-1.2 3,-0.7 1,-0.2 -1,-0.2 0.888 105.8 46.5 -64.3 -41.3 342.3 -8.0 154.3 9 12 A L H 3< S+ 0 0 2 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 114.4 47.2 -70.3 -34.2 340.2 -5.3 152.6 10 13 A R T 3< S+ 0 0 44 -4,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.421 108.6 71.1 -88.6 1.4 342.1 -5.7 149.3 11 14 A G S < S- 0 0 29 -3,-0.7 -3,-0.1 -4,-0.4 5,-0.0 -0.079 104.7 -30.9-100.5-161.5 341.8 -9.5 149.5 12 15 A D > - 0 0 79 1,-0.1 4,-1.9 -2,-0.1 -1,-0.2 -0.369 54.1-142.5 -58.0 128.2 339.0 -12.1 149.1 13 16 A P H > S+ 0 0 11 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.819 97.4 54.5 -67.9 -35.1 335.7 -10.4 150.3 14 17 A K H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.935 108.6 48.1 -63.5 -49.5 334.3 -13.5 151.9 15 18 A K H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 114.1 48.8 -54.2 -43.7 337.4 -14.0 154.0 16 19 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 -8,-0.2 -2,-0.2 0.929 111.2 47.2 -65.8 -47.7 337.3 -10.3 155.0 17 20 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.937 115.2 45.3 -60.5 -49.3 333.6 -10.3 156.0 18 21 A V H X S+ 0 0 84 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.886 115.3 47.2 -59.9 -43.2 333.8 -13.4 158.1 19 22 A R H < S+ 0 0 186 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.844 116.2 44.1 -70.1 -34.2 337.0 -12.3 159.8 20 23 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.729 91.5 84.8 -84.7 -24.1 335.7 -8.8 160.6 21 24 A S H X S+ 0 0 18 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.868 91.1 43.0 -48.6 -53.6 332.2 -9.8 161.8 22 25 A I H X S+ 0 0 112 -4,-0.5 4,-2.5 1,-0.2 5,-0.3 0.974 118.2 40.0 -66.0 -57.2 332.9 -10.5 165.5 23 26 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.822 114.5 56.0 -64.2 -27.6 335.3 -7.7 166.4 24 27 A M H < S+ 0 0 3 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.957 111.7 42.8 -62.3 -51.4 333.1 -5.2 164.4 25 28 A M H >< S+ 0 0 37 -4,-2.2 3,-1.3 -5,-0.3 4,-0.4 0.959 118.4 42.3 -58.8 -58.4 330.0 -6.2 166.4 26 29 A I H >X S+ 0 0 51 -4,-2.5 4,-2.0 1,-0.3 3,-1.2 0.892 111.4 55.6 -58.1 -42.6 331.7 -6.2 169.8 27 30 A G T 3< S+ 0 0 2 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.567 115.3 39.9 -69.9 -7.8 333.6 -3.0 169.2 28 31 A M T <4 S+ 0 0 62 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.338 120.9 40.1-120.0 3.0 330.4 -1.2 168.3 29 32 A S T X4 S+ 0 0 30 -3,-1.2 3,-1.5 -4,-0.4 4,-0.3 0.686 87.1 78.3-127.0 -31.3 328.1 -2.7 171.0 30 33 A V G >< S+ 0 0 25 -4,-2.0 3,-1.6 1,-0.3 -3,-0.1 0.762 86.0 70.5 -57.5 -25.5 329.8 -3.1 174.4 31 34 A Q G > S+ 0 0 10 1,-0.3 3,-1.9 -5,-0.2 4,-0.3 0.863 85.9 66.8 -56.4 -38.6 329.3 0.7 174.9 32 35 A T G <> S+ 0 0 45 -3,-1.5 4,-0.6 1,-0.3 3,-0.3 0.689 89.6 67.6 -55.8 -20.0 325.6 0.1 175.3 33 36 A L H <> S+ 0 0 84 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.3 0.394 75.0 83.5 -91.2 2.3 326.3 -1.8 178.6 34 37 A Y H <> S+ 0 0 7 -3,-1.9 4,-2.5 2,-0.2 5,-0.2 0.961 95.7 42.5 -64.3 -53.0 327.5 1.2 180.6 35 38 A N H > S+ 0 0 13 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.849 115.1 52.1 -62.4 -35.0 323.9 2.2 181.5 36 39 A L H X S+ 0 0 101 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.918 113.0 42.3 -67.9 -45.2 323.0 -1.4 182.2 37 40 A A H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.882 113.9 51.7 -72.5 -38.9 325.9 -2.1 184.5 38 41 A D H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.912 110.5 49.7 -60.6 -44.0 325.5 1.2 186.3 39 42 A G H X S+ 0 0 6 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.911 112.5 45.6 -63.0 -45.2 321.8 0.5 186.9 40 43 A I H < S+ 0 0 110 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.878 112.3 52.1 -66.4 -38.1 322.4 -3.0 188.3 41 44 A W H >< S+ 0 0 94 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.850 112.2 44.6 -69.3 -34.1 325.2 -1.8 190.6 42 45 A V H >< S+ 0 0 0 -4,-1.9 3,-2.5 1,-0.2 4,-0.3 0.535 85.9 91.8 -86.0 -7.8 323.2 1.1 192.1 43 46 A S G >< S+ 0 0 58 -4,-0.7 3,-1.3 -3,-0.4 -1,-0.2 0.742 74.3 69.4 -61.2 -21.2 320.0 -1.0 192.7 44 47 A G G < S+ 0 0 64 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.594 93.2 59.6 -70.1 -10.1 321.3 -1.8 196.2 45 48 A L G < S- 0 0 76 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.565 122.9 -90.0 -91.8 -12.1 320.6 1.8 196.9 46 49 A G X> - 0 0 16 -3,-1.3 4,-1.3 -4,-0.3 3,-0.7 -0.407 41.7 -70.7 121.1 162.7 316.9 1.4 196.1 47 50 A P H 3> S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.706 123.3 65.4 -60.9 -23.6 314.5 1.7 193.2 48 51 A E H 3> S+ 0 0 130 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.920 103.9 44.3 -63.4 -44.2 314.9 5.5 193.1 49 52 A S H <> S+ 0 0 14 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.820 111.5 53.0 -71.8 -34.3 318.6 5.2 192.1 50 53 A L H X S+ 0 0 84 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.910 109.1 50.8 -62.6 -43.3 317.9 2.6 189.5 51 54 A A H X S+ 0 0 63 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.796 105.9 55.3 -67.3 -31.3 315.3 4.9 188.0 52 55 A A H X S+ 0 0 4 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.910 107.6 47.8 -69.7 -44.0 317.7 7.8 187.8 53 56 A V H >< S+ 0 0 1 -4,-1.5 3,-0.5 1,-0.2 4,-0.2 0.883 113.4 49.3 -60.8 -39.9 320.3 5.9 185.8 54 57 A G H >< S+ 0 0 33 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.734 96.6 67.2 -77.4 -25.1 317.7 4.7 183.4 55 58 A L H 3< S+ 0 0 42 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.826 100.4 53.0 -62.1 -30.1 316.1 8.0 182.7 56 59 A F T S+ 0 0 88 -3,-1.0 4,-2.4 1,-0.3 5,-0.2 0.865 84.6 41.4 -57.0 -49.8 319.3 6.0 178.7 58 61 A P H > S+ 0 0 75 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.841 115.4 52.8 -69.7 -29.3 317.6 7.4 175.6 59 62 A V H > S+ 0 0 14 -4,-0.4 4,-1.5 -3,-0.3 -2,-0.2 0.933 111.0 48.1 -61.6 -46.1 319.7 10.6 175.9 60 63 A F H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.877 110.4 49.7 -63.0 -42.9 322.8 8.4 176.1 61 64 A M H X S+ 0 0 61 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.814 106.2 57.8 -67.6 -30.4 321.8 6.3 173.0 62 65 A G H X S+ 0 0 35 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.879 106.5 48.1 -66.1 -38.2 321.1 9.5 171.1 63 66 A I H X S+ 0 0 9 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.909 111.6 49.7 -67.9 -44.2 324.7 10.7 171.7 64 67 A I H X S+ 0 0 18 -4,-1.9 4,-4.1 2,-0.2 5,-0.4 0.917 106.0 57.7 -56.9 -45.3 326.0 7.3 170.6 65 68 A A H X S+ 0 0 16 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.886 112.0 40.6 -53.0 -45.1 323.9 7.5 167.5 66 69 A L H X S+ 0 0 69 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.875 118.1 46.8 -71.9 -41.6 325.6 10.8 166.5 67 70 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.946 117.5 42.5 -64.1 -49.4 329.1 9.6 167.5 68 71 A A H X S+ 0 0 39 -4,-4.1 4,-2.1 2,-0.2 5,-0.2 0.779 109.1 60.5 -69.0 -29.6 328.7 6.2 165.8 69 72 A G H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.4 3,-0.2 0.964 108.6 42.0 -59.5 -52.4 327.1 8.1 162.8 70 73 A L H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.865 110.6 62.0 -61.8 -34.6 330.3 10.0 162.4 71 74 A G H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.891 107.9 38.5 -57.3 -47.7 332.2 6.7 163.0 72 75 A V H X S+ 0 0 26 -4,-2.1 4,-3.5 -3,-0.2 5,-0.4 0.865 112.7 55.9 -75.9 -38.3 330.8 4.9 160.0 73 76 A G H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.872 114.8 42.8 -56.7 -36.5 330.9 7.9 157.7 74 77 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.946 116.3 45.0 -73.2 -52.5 334.6 8.0 158.7 75 78 A S H X S+ 0 0 7 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.919 114.8 47.6 -60.4 -46.2 335.2 4.2 158.4 76 79 A S H X S+ 0 0 0 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.814 112.2 51.2 -66.9 -29.6 333.3 3.9 155.1 77 80 A A H X S+ 0 0 0 -4,-0.9 4,-1.3 -5,-0.4 -1,-0.2 0.873 112.4 44.6 -76.7 -37.4 335.2 6.9 153.7 78 81 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.934 109.6 56.2 -68.5 -46.6 338.6 5.6 154.6 79 82 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.890 106.9 49.8 -52.0 -45.4 337.8 2.0 153.3 80 83 A R H X S+ 0 0 16 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.884 110.6 49.8 -61.2 -41.2 337.0 3.4 149.9 81 84 A R H <>S+ 0 0 56 -4,-1.3 5,-3.0 2,-0.2 4,-0.4 0.902 109.2 50.6 -67.9 -41.3 340.2 5.4 149.7 82 85 A I H ><5S+ 0 0 0 -4,-2.5 3,-0.9 2,-0.2 -1,-0.2 0.902 111.5 48.7 -61.8 -42.3 342.4 2.4 150.7 83 86 A G H 3<5S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 113.7 47.7 -62.1 -35.0 340.6 0.4 148.0 84 87 A A T 3<5S- 0 0 51 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.487 111.5-124.1 -83.8 -3.2 341.4 3.3 145.6 85 88 A R T < 5 + 0 0 177 -3,-0.9 2,-1.8 -4,-0.4 -3,-0.2 0.688 60.6 150.1 62.7 20.0 345.0 3.4 146.8 86 89 A D >< + 0 0 63 -5,-3.0 4,-1.8 1,-0.2 -1,-0.2 -0.569 13.7 168.5 -83.3 76.6 344.3 7.1 147.7 87 90 A K H > S+ 0 0 51 -2,-1.8 4,-2.1 1,-0.2 136,-0.2 0.906 76.2 45.0 -58.5 -46.7 346.8 7.2 150.6 88 91 A E H > S+ 0 0 108 1,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.796 110.3 55.9 -69.6 -29.4 346.7 11.0 151.0 89 92 A G H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.831 109.1 46.6 -70.2 -33.7 342.9 10.9 150.7 90 93 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.895 110.1 51.6 -75.2 -41.9 342.7 8.5 153.6 91 94 A D H X S+ 0 0 29 -4,-2.1 4,-1.6 1,-0.2 134,-0.2 0.868 112.0 50.4 -57.9 -36.3 345.1 10.5 155.8 92 95 A N H X S+ 0 0 49 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.874 106.4 50.9 -75.6 -39.2 342.9 13.5 155.1 93 96 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.890 109.4 54.4 -62.6 -37.9 339.6 11.8 156.0 94 97 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.903 110.9 42.2 -65.8 -44.0 341.1 10.8 159.3 95 98 A V H X S+ 0 0 8 -4,-1.6 4,-1.8 2,-0.2 5,-0.2 0.909 113.9 52.8 -69.6 -41.2 342.3 14.3 160.3 96 99 A H H X S+ 0 0 9 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.926 109.0 50.1 -56.9 -46.1 339.0 15.8 159.2 97 100 A S H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.854 106.7 54.5 -62.2 -37.0 337.0 13.3 161.3 98 101 A L H X S+ 0 0 24 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.897 109.1 47.2 -66.6 -40.3 339.1 14.1 164.4 99 102 A I H X S+ 0 0 62 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.869 111.2 52.9 -65.0 -38.6 338.4 17.8 164.2 100 103 A L H X S+ 0 0 34 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.846 104.2 56.6 -64.4 -33.5 334.7 16.9 163.7 101 104 A S H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.868 108.1 46.9 -67.6 -36.8 334.7 14.8 166.8 102 105 A L H X S+ 0 0 94 -4,-1.3 4,-1.9 2,-0.2 5,-0.2 0.906 116.1 44.9 -69.0 -43.2 335.9 17.8 168.9 103 106 A I H X S+ 0 0 91 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.923 117.8 42.3 -66.7 -48.8 333.3 20.1 167.3 104 107 A L H X S+ 0 0 42 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.925 115.3 49.5 -66.5 -46.5 330.4 17.6 167.6 105 108 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 40,-0.2 0.916 114.1 43.5 -60.5 -48.6 331.3 16.4 171.1 106 109 A V H X S+ 0 0 65 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.884 111.6 54.7 -65.6 -39.5 331.6 19.9 172.6 107 110 A T H X S+ 0 0 72 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.888 108.3 50.3 -60.5 -39.0 328.5 21.1 170.8 108 111 A I H >X S+ 0 0 12 -4,-2.2 4,-2.0 2,-0.2 3,-0.5 0.935 111.2 48.7 -63.0 -46.7 326.6 18.2 172.5 109 112 A T H 3X S+ 0 0 23 -4,-2.0 4,-2.3 1,-0.2 3,-0.3 0.955 113.3 43.8 -58.6 -55.1 328.0 19.1 175.9 110 113 A I H 3< S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.572 118.3 46.7 -71.9 -8.9 327.1 22.8 175.8 111 114 A T H << S+ 0 0 76 -4,-0.8 4,-0.3 -3,-0.5 -1,-0.2 0.699 116.5 40.4-101.5 -26.7 323.7 22.1 174.4 112 115 A M H >X S+ 0 0 39 -4,-2.0 4,-3.2 -3,-0.3 3,-0.6 0.890 102.7 65.8 -90.2 -43.5 322.6 19.3 176.7 113 116 A L T 3< S+ 0 0 67 -4,-2.3 4,-0.3 -5,-0.3 -3,-0.1 0.873 111.0 35.9 -47.7 -47.1 323.9 20.6 180.1 114 117 A P T 34 S+ 0 0 100 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.727 123.4 45.9 -80.8 -16.6 321.5 23.6 180.1 115 118 A A T <> S+ 0 0 41 -3,-0.6 4,-2.0 -4,-0.3 3,-0.4 0.713 87.4 85.2 -94.2 -23.6 318.7 21.5 178.4 116 119 A I H X S+ 0 0 6 -4,-3.2 4,-1.8 1,-0.2 5,-0.2 0.780 86.9 54.6 -54.9 -33.6 318.8 18.3 180.5 117 120 A D H > S+ 0 0 61 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.947 110.9 43.6 -66.2 -49.0 316.6 19.6 183.3 118 121 A S H > S+ 0 0 79 -3,-0.4 4,-0.8 -4,-0.3 -2,-0.2 0.852 112.1 56.1 -63.2 -34.6 313.7 20.6 181.0 119 122 A L H X S+ 0 0 62 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.884 106.3 47.9 -68.0 -41.3 314.1 17.3 179.1 120 123 A F H >X>S+ 0 0 0 -4,-1.8 5,-1.9 1,-0.2 4,-1.1 0.873 108.1 54.5 -67.2 -39.7 313.7 15.1 182.1 121 124 A R H 3<5S+ 0 0 117 -4,-1.6 -1,-0.2 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49.7 -75.1 -46.2 332.2 -7.9 140.9 312 315 A K H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.875 113.1 49.1 -57.7 -40.3 334.1 -8.0 144.2 313 316 A L H X S+ 0 0 3 -4,-1.7 4,-1.9 -9,-0.2 5,-0.2 0.934 113.1 44.8 -65.9 -50.5 331.5 -5.7 145.6 314 317 A E H X S+ 0 0 35 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.923 113.4 51.0 -61.2 -46.9 328.5 -7.7 144.4 315 318 A T H X S+ 0 0 65 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.894 109.3 53.2 -55.1 -43.1 330.1 -11.0 145.6 316 319 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.934 114.3 36.5 -62.1 -50.7 330.7 -9.5 149.0 317 320 A Y H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.847 114.9 53.0 -79.2 -33.4 327.2 -8.3 149.8 318 321 A L H X S+ 0 0 63 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.859 109.7 51.7 -66.2 -34.4 325.3 -11.2 148.2 319 322 A Y H X S+ 0 0 62 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.844 106.6 53.1 -69.1 -35.1 327.5 -13.6 150.3 320 323 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.900 109.1 48.8 -67.7 -40.7 326.6 -11.6 153.4 321 324 A I H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.938 111.0 52.3 -59.0 -47.4 322.9 -12.0 152.7 322 325 A K H X S+ 0 0 79 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.934 114.3 39.5 -55.9 -54.3 323.5 -15.8 152.1 323 326 A I H X S+ 0 0 43 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.943 116.3 51.2 -63.4 -48.1 325.2 -16.4 155.4 324 327 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.836 107.2 55.7 -57.4 -35.1 322.9 -14.1 157.3 325 328 A F H X S+ 0 0 64 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.930 107.2 46.8 -65.5 -47.5 319.9 -15.9 155.8 326 329 A M H X S+ 0 0 110 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.863 112.8 51.1 -63.1 -36.7 321.0 -19.4 157.0 327 330 A I H X S+ 0 0 56 -4,-1.9 4,-2.3 1,-0.2 3,-0.4 0.944 109.0 49.4 -65.7 -48.2 321.7 -18.0 160.5 328 331 A E H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.797 104.2 59.9 -64.0 -29.4 318.3 -16.3 160.8 329 332 A L H X S+ 0 0 80 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.903 109.3 43.6 -63.8 -40.6 316.5 -19.5 159.7 330 333 A A H X S+ 0 0 62 -4,-1.3 4,-3.0 -3,-0.4 -2,-0.2 0.927 112.2 53.5 -68.2 -46.2 318.1 -21.3 162.7 331 334 A V H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 112.4 42.5 -54.0 -50.7 317.3 -18.4 165.1 332 335 A V H X S+ 0 0 15 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.874 112.9 53.3 -69.5 -36.1 313.6 -18.3 164.2 333 336 A A H X S+ 0 0 44 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.927 109.5 50.0 -58.9 -44.3 313.4 -22.1 164.3 334 337 A F H X S+ 0 0 120 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.918 115.9 41.7 -59.1 -45.4 314.9 -21.8 167.8 335 338 A I H < S+ 0 0 15 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.907 114.2 50.7 -70.0 -44.9 312.4 -19.2 168.8 336 339 A M H < S+ 0 0 56 -4,-3.7 3,-0.5 2,-0.2 -2,-0.2 0.932 120.3 36.1 -55.8 -49.3 309.4 -21.0 167.1 337 340 A L H < S+ 0 0 115 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.973 125.3 35.3 -69.7 -58.6 310.3 -24.3 168.8 338 341 A F S X S+ 0 0 97 -4,-2.5 4,-2.1 -5,-0.3 3,-0.3 -0.005 78.8 123.3 -95.2 30.3 311.5 -23.2 172.3 339 342 A A H > S+ 0 0 0 -3,-0.5 4,-3.3 -4,-0.4 5,-0.2 0.910 72.6 48.9 -55.5 -50.8 309.1 -20.2 172.7 340 343 A P H > S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.797 112.5 50.3 -67.1 -24.8 307.5 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301.9 -11.8 180.8 351 359 A K > + 0 0 51 2,-0.2 4,-1.8 3,-0.1 3,-0.5 0.953 360.0 39.2 -86.7 -59.9 303.3 -15.3 180.0 352 360 A G H > S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.756 114.3 56.7 -66.1 -26.2 300.9 -16.9 177.5 353 361 A D H > S+ 0 0 47 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.814 106.8 50.3 -71.3 -30.9 300.6 -13.5 175.7 354 362 A L H > S+ 0 0 2 -3,-0.5 4,-1.7 -4,-0.4 -2,-0.2 0.856 105.8 54.3 -76.2 -37.1 304.4 -13.5 175.3 355 363 A I H X S+ 0 0 41 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.902 108.3 50.6 -60.4 -42.6 304.5 -17.0 173.8 356 364 A S H < S+ 0 0 46 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.790 109.7 51.3 -65.2 -28.6 301.9 -15.8 171.2 357 365 A A H >X S+ 0 0 0 -4,-0.9 4,-2.4 1,-0.2 3,-0.9 0.798 106.6 52.7 -79.8 -29.8 304.2 -12.8 170.5 358 366 A L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.532 106.4 53.9 -83.2 -9.2 307.3 -15.0 170.0 359 367 A R T 3< S+ 0 0 115 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.202 121.5 29.0-105.2 10.0 305.5 -17.2 167.5 360 368 A T T X4 S+ 0 0 18 -3,-0.9 3,-1.3 -5,-0.1 4,-0.2 0.555 113.5 52.3-124.3 -55.4 304.5 -14.2 165.4 361 369 A L G >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 4,-0.2 0.895 100.3 55.8 -63.8 -46.4 307.0 -11.4 165.7 362 370 A P G > S+ 0 0 1 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.498 81.8 91.5 -72.4 1.5 310.3 -12.9 164.9 363 371 A V G X S+ 0 0 57 -3,-1.3 3,-1.3 1,-0.3 4,-0.2 0.782 75.2 64.8 -64.9 -28.2 309.1 -14.3 161.5 364 372 A F G X> S+ 0 0 6 -3,-1.2 3,-1.6 1,-0.2 4,-1.2 0.667 81.8 83.9 -68.2 -13.2 310.3 -11.1 159.6 365 373 A L G <4 S+ 0 0 1 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 78.7 63.0 -64.1 -24.5 313.9 -12.1 160.6 366 374 A V G <4 S+ 0 0 30 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.640 111.0 38.4 -77.4 -13.3 314.2 -14.5 157.7 367 375 A L T X> S+ 0 0 43 -3,-1.6 3,-0.9 -4,-0.2 4,-0.8 0.577 94.1 89.3-105.8 -15.9 313.8 -11.5 155.3 368 376 A T H >X S+ 0 0 23 -4,-1.2 4,-2.3 1,-0.2 3,-0.8 0.852 80.0 57.3 -48.5 -47.8 315.8 -9.0 157.4 369 377 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.837 98.6 61.2 -59.2 -33.5 319.2 -9.7 155.8 370 378 A F H <> S+ 0 0 52 -3,-0.9 4,-0.5 1,-0.2 -2,-0.2 0.837 115.8 31.5 -62.2 -36.1 318.0 -8.9 152.3 371 379 A G H S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 4,-0.4 0.881 108.6 47.5 -58.2 -40.8 324.6 1.6 150.0 379 387 A Q H ><5S+ 0 0 36 -4,-1.5 3,-0.5 3,-0.2 -1,-0.2 0.832 106.7 59.0 -68.6 -34.0 326.7 3.0 152.9 380 388 A G H 3<5S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 105.3 47.2 -64.4 -37.0 329.8 1.3 151.3 381 389 A I T 3<5S- 0 0 8 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.575 124.8-103.9 -82.7 -7.8 329.4 3.2 148.1 382 390 A G T < 5S+ 0 0 4 -3,-0.5 2,-0.7 -4,-0.4 -3,-0.2 0.569 84.9 122.4 102.6 13.8 328.9 6.4 150.0 383 391 A E >>< + 0 0 15 -5,-2.7 3,-0.8 -6,-0.2 4,-0.8 -0.587 18.5 155.1-113.4 69.3 325.2 6.8 149.6 384 392 A G H 3> + 0 0 2 -143,-1.1 4,-2.1 -2,-0.7 3,-0.4 0.795 65.5 70.8 -65.0 -31.0 323.7 6.9 153.2 385 393 A E H 3> S+ 0 0 53 -144,-0.5 4,-2.9 1,-0.3 -1,-0.2 0.837 95.6 54.5 -58.6 -33.2 320.6 8.9 152.1 386 394 A K H <> S+ 0 0 37 -3,-0.8 4,-2.2 2,-0.2 -1,-0.3 0.887 108.4 47.8 -65.8 -40.5 319.3 5.8 150.4 387 395 A S H X S+ 0 0 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T >5S+ 0 0 3 25,-0.2 4,-1.2 -6,-0.2 -3,-0.2 0.941 126.8 27.7 -83.1 -58.1 305.7 -0.3 160.7 400 408 A V H > - 0 0 75 -6,-0.4 3,-1.1 1,-0.2 2,-0.3 0.717 67.9-161.0 -59.4 -26.0 293.3 -8.4 166.5 413 421 A G T > - 0 0 33 -7,-0.4 3,-1.1 1,-0.2 4,-0.4 -0.604 68.1 -11.1 78.3-139.7 294.0 -6.3 169.6 414 422 A L T >> S+ 0 0 30 -2,-0.3 3,-0.8 1,-0.2 4,-0.7 0.670 129.7 73.5 -66.7 -16.1 297.7 -6.0 170.6 415 423 A R H X> S+ 0 0 129 -3,-1.1 4,-2.4 1,-0.2 3,-0.6 0.818 82.9 66.4 -67.5 -32.1 298.3 -8.8 168.0 416 424 A G H <> S+ 0 0 0 -3,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.775 94.4 59.7 -58.5 -27.6 297.8 -6.3 165.2 417 425 A V H <> S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.4 -1,-0.3 0.864 106.9 45.8 -68.2 -36.8 301.0 -4.6 166.5 418 426 A W H