==== 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 PROTEIN BINDING 30-MAR-04 1SW2 . COMPND 2 MOLECULE: OSMOPROTECTION PROTEIN (PROX); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR A.SCHIEFNER,G.HOLTMANN,K.DIEDERICHS,W.WELTE,E.BREMER . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 8.9 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.3 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 1 0 1 2 2 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 2 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 6 A E 0 0 187 0, 0.0 29,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-104.3 30.9 -4.9 21.4 2 7 A R E -a 30 0A 110 27,-0.1 2,-0.8 29,-0.1 29,-0.2 -0.519 360.0-142.2 -85.2 139.9 30.5 -1.1 20.7 3 8 A V E -a 31 0A 9 27,-2.5 29,-2.0 -2,-0.2 2,-0.4 -0.898 22.5-153.8 -96.5 108.5 27.1 0.6 20.4 4 9 A V E -a 32 0A 18 -2,-0.8 49,-2.9 27,-0.2 50,-1.1 -0.742 4.7-154.9 -91.0 132.3 27.6 3.2 17.6 5 10 A I E -ab 33 54A 0 27,-2.9 29,-2.9 -2,-0.4 50,-0.2 -0.906 6.2-147.5-114.0 121.4 25.4 6.2 17.8 6 11 A G - 0 0 1 48,-2.5 50,-0.3 -2,-0.5 2,-0.3 -0.210 15.2-170.6 -76.7 172.6 24.5 8.2 14.7 7 12 A S - 0 0 0 27,-0.3 30,-1.4 48,-0.1 31,-1.2 -0.916 23.7-133.2-165.1 142.5 23.9 11.9 14.4 8 13 A K - 0 0 6 -2,-0.3 2,-1.6 48,-0.2 28,-0.5 -0.522 52.8 -90.6 -82.3 164.7 22.6 14.7 12.1 9 14 A P S S+ 0 0 22 0, 0.0 159,-0.4 0, 0.0 2,-0.3 -0.513 86.4 85.0 -93.6 74.6 24.9 17.8 12.1 10 15 A F S >> S- 0 0 15 -2,-1.6 4,-1.6 1,-0.1 3,-1.3 -0.978 83.9 -81.8-165.0 165.8 23.6 20.1 14.8 11 16 A N H 3> S+ 0 0 3 -2,-0.3 4,-2.1 1,-0.3 3,-0.4 0.726 116.8 39.8 -35.4 -69.4 23.7 21.0 18.4 12 17 A E H 3> S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.744 111.7 59.2 -64.0 -25.6 21.2 18.7 20.2 13 18 A Q H <> S+ 0 0 1 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.924 108.8 43.0 -65.9 -46.6 22.3 15.7 18.0 14 19 A Y H X S+ 0 0 40 -4,-1.6 4,-1.8 -3,-0.4 -2,-0.2 0.930 119.3 45.9 -64.9 -40.6 25.9 16.0 19.2 15 20 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.943 116.0 42.9 -68.0 -47.3 24.7 16.6 22.8 16 21 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.896 113.1 51.7 -69.4 -39.7 22.1 13.8 22.9 17 22 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.915 114.1 44.1 -63.0 -42.0 24.3 11.2 21.1 18 23 A N H X S+ 0 0 12 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.868 110.9 54.7 -67.9 -38.3 27.1 11.9 23.6 19 24 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.882 110.4 46.0 -61.6 -39.7 24.6 11.9 26.5 20 25 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.886 110.8 53.9 -71.6 -37.9 23.5 8.4 25.4 21 26 A A H X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.903 109.5 46.5 -64.2 -40.4 27.1 7.3 25.0 22 27 A I H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.935 113.7 48.8 -69.2 -43.4 28.0 8.3 28.5 23 28 A L H X S+ 0 0 3 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.911 112.2 47.8 -59.8 -44.9 24.9 6.6 30.0 24 29 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.6 0.928 112.5 50.1 -64.1 -42.4 25.6 3.4 28.1 25 30 A E H ><5S+ 0 0 90 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.836 106.1 55.1 -67.8 -32.7 29.2 3.5 29.3 26 31 A E H 3<5S+ 0 0 104 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.734 109.7 49.3 -67.0 -22.9 28.1 4.1 32.9 27 32 A N T <<5S- 0 0 57 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.213 130.8 -91.1-104.1 13.2 26.0 0.9 32.5 28 33 A G T < 5S+ 0 0 67 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.582 83.7 122.7 97.0 13.7 28.8 -1.2 31.0 29 34 A Y < - 0 0 37 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.3 -0.761 59.4-127.6 -99.4 149.1 28.6 -0.8 27.3 30 35 A K E -a 2 0A 131 -29,-0.7 -27,-2.5 -2,-0.3 2,-0.3 -0.849 37.8-172.3 -83.0 134.1 31.4 0.5 25.0 31 36 A A E -a 3 0A 13 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.945 16.5-168.2-129.0 153.8 29.8 3.4 23.0 32 37 A E E -a 4 0A 58 -29,-2.0 -27,-2.9 -2,-0.3 2,-0.5 -0.991 12.2-146.4-138.5 138.1 31.0 5.5 20.1 33 38 A V E -a 5 0A 23 -2,-0.3 2,-0.9 -29,-0.2 -27,-0.2 -0.934 1.2-159.0-105.0 126.7 29.4 8.6 18.7 34 39 A K > - 0 0 99 -29,-2.9 3,-1.0 -2,-0.5 -27,-0.3 -0.827 24.0-152.1 -98.5 85.5 29.6 9.3 14.9 35 40 A E T 3 S- 0 0 101 -2,-0.9 -28,-0.1 1,-0.3 -27,-0.1 -0.419 72.5 -1.7 -59.4 128.5 29.0 13.1 15.1 36 41 A G T 3 S+ 0 0 30 -28,-0.5 -1,-0.3 -2,-0.1 -28,-0.2 0.912 73.2 168.2 58.4 47.3 27.4 14.5 12.0 37 42 A L < - 0 0 58 -30,-1.4 2,-0.3 -3,-1.0 -29,-0.2 0.898 60.8 -77.7 -57.0 -42.8 27.4 11.2 10.1 38 43 A G - 0 0 21 -31,-1.2 -1,-0.2 1,-0.0 -2,-0.1 -0.959 65.4 -42.3 169.9-159.4 25.1 12.8 7.6 39 44 A G S > S- 0 0 23 -2,-0.3 4,-2.3 -31,-0.2 5,-0.3 0.014 74.5 -72.8 -82.2-168.2 21.4 13.9 7.1 40 45 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.928 129.6 40.9 -56.9 -50.4 18.2 12.0 8.1 41 46 A L H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.790 111.3 55.5 -75.2 -27.3 18.3 9.3 5.4 42 47 A V H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.967 113.8 43.6 -65.2 -43.9 22.1 8.7 5.6 43 48 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.881 112.7 51.1 -65.5 -41.2 21.6 8.0 9.3 44 49 A Y H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.896 111.4 46.9 -66.6 -39.3 18.6 5.9 8.8 45 50 A E H X S+ 0 0 87 -4,-2.3 4,-2.3 2,-0.2 6,-0.2 0.854 110.9 52.8 -70.2 -35.9 20.3 3.7 6.2 46 51 A A H <>S+ 0 0 10 -4,-2.2 5,-1.9 -5,-0.2 6,-1.4 0.903 109.7 50.2 -58.6 -41.7 23.3 3.4 8.4 47 52 A L H ><5S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.938 110.1 47.9 -63.5 -49.9 20.9 2.3 11.1 48 53 A K H 3<5S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 112.2 50.4 -54.0 -43.0 19.2 -0.3 8.9 49 54 A R T 3<5S- 0 0 181 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.520 112.2-122.3 -71.9 -12.5 22.7 -1.6 7.8 50 55 A N T < 5S+ 0 0 75 -3,-1.2 -3,-0.2 -4,-0.5 -46,-0.1 0.637 78.5 125.8 66.6 18.3 23.7 -1.9 11.5 51 56 A D S - C 0 211A 7 153,-0.3 4,-2.9 -2,-0.2 5,-0.3 -0.960 17.3-126.3-126.6 141.1 12.0 13.3 15.1 59 64 A T H > S+ 0 0 0 151,-2.1 4,-2.9 -2,-0.4 150,-0.2 0.919 109.1 47.4 -55.7 -48.1 8.4 12.0 14.6 60 65 A G H > S+ 0 0 0 148,-0.7 4,-2.6 1,-0.2 5,-0.4 0.895 113.3 49.3 -62.4 -40.3 7.5 14.4 11.8 61 66 A T H >>S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-1.5 0.965 112.7 46.8 -61.1 -51.5 10.7 13.6 10.0 62 67 A A H <>S+ 0 0 0 -4,-2.9 5,-2.9 3,-0.2 6,-0.3 0.917 114.4 49.8 -53.7 -42.5 10.2 9.8 10.4 63 68 A Y H <5S+ 0 0 5 -4,-2.9 6,-2.6 -5,-0.3 -2,-0.2 0.931 126.2 21.8 -67.4 -45.2 6.6 10.3 9.2 64 69 A N H <5S+ 0 0 6 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.844 132.3 30.9 -93.9 -42.9 7.4 12.4 6.1 65 70 A V T <5S+ 0 0 21 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.1 0.940 128.4 29.8 -86.4 -51.1 11.0 11.7 5.1 66 71 A I T - 0 0 83 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.981 23.8-141.0-135.7 121.7 -1.8 15.5 15.7 77 82 A Q H > S+ 0 0 108 -2,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.880 102.2 41.8 -38.2 -60.7 1.1 14.8 18.0 78 83 A Q H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 112.8 53.1 -67.6 -43.5 -0.2 11.4 19.2 79 84 A Y H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 111.8 45.5 -56.4 -46.5 -1.4 10.3 15.8 80 85 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.931 112.3 51.6 -66.8 -42.3 2.1 10.9 14.2 81 86 A F H X S+ 0 0 38 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.930 113.5 44.2 -56.2 -46.7 3.9 9.2 17.1 82 87 A D H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.932 113.9 48.6 -71.0 -43.1 1.8 6.1 16.8 83 88 A E H X S+ 0 0 30 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.886 114.8 46.9 -64.6 -35.7 2.0 6.0 13.0 84 89 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.928 112.4 48.0 -68.5 -49.6 5.8 6.4 13.2 85 90 A K H X S+ 0 0 92 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.882 119.2 40.3 -61.3 -35.7 6.3 3.8 15.9 86 91 A K H X S+ 0 0 95 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.933 116.9 49.0 -79.0 -42.1 4.1 1.3 14.0 87 92 A G H X S+ 0 0 4 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.852 110.9 48.1 -70.5 -38.2 5.5 2.2 10.6 88 93 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 6,-1.9 0.891 115.9 45.3 -65.4 -43.7 9.2 2.0 11.6 89 94 A L H X S+ 0 0 94 -4,-1.2 4,-2.5 -5,-0.3 -2,-0.2 0.985 117.5 42.0 -63.2 -54.2 8.6 -1.3 13.3 90 95 A E H < S+ 0 0 144 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.826 121.6 40.7 -67.3 -34.8 6.5 -2.8 10.4 91 96 A A H < S+ 0 0 63 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.844 138.7 0.6 -81.7 -39.8 8.7 -1.5 7.6 92 97 A D H < S- 0 0 61 -4,-2.0 125,-0.4 -5,-0.2 -3,-0.2 0.340 91.8-107.3-135.7 5.7 12.3 -2.0 8.9 93 98 A G < + 0 0 29 -4,-2.5 -4,-0.3 -5,-0.4 2,-0.3 0.638 67.2 154.9 68.0 14.5 12.1 -3.6 12.4 94 99 A V - 0 0 0 -6,-1.9 2,-0.5 122,-0.2 -1,-0.2 -0.568 30.0-150.6 -82.4 138.1 13.1 -0.2 13.9 95 100 A V E -D 215 0A 41 120,-2.9 120,-2.4 -2,-0.3 2,-0.9 -0.905 15.2-135.9-116.7 127.7 12.1 0.4 17.5 96 101 A V E +D 214 0A 11 -2,-0.5 118,-0.2 118,-0.2 3,-0.1 -0.765 27.0 179.5 -73.4 108.0 11.3 3.7 19.2 97 102 A A E + 0 0 2 116,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.837 60.1 0.0 -80.3 -34.0 13.2 3.1 22.4 98 103 A A E -D 213 0A 1 115,-1.1 115,-2.5 -3,-0.1 2,-0.6 -0.993 50.5-136.2-159.5 143.1 12.3 6.5 24.0 99 104 A K E -D 212 0A 73 -2,-0.3 135,-3.0 113,-0.2 113,-0.2 -0.939 25.4-153.2 -95.7 117.6 10.5 9.8 23.6 100 105 A L E - 0 0 0 111,-2.2 136,-2.5 -2,-0.6 135,-0.7 0.825 35.5-113.3 -69.8 -27.0 13.1 12.3 25.0 101 106 A G E S+ 0 0 29 110,-0.6 137,-0.5 1,-0.4 2,-0.3 0.317 79.6 92.4 113.6 -5.5 10.4 14.8 26.0 102 107 A F E - 0 0 3 135,-0.3 109,-2.7 109,-0.2 2,-0.4 -0.805 58.7-141.3-119.0 163.5 11.1 17.7 23.6 103 108 A R E -D 210 0A 76 -2,-0.3 2,-0.4 107,-0.3 107,-0.2 -0.948 9.3-171.5-114.0 134.0 10.0 19.0 20.3 104 109 A D - 0 0 10 105,-2.6 2,-0.1 -2,-0.4 -2,-0.0 -0.747 22.4-175.0-128.3 86.5 12.4 20.5 17.8 105 110 A D - 0 0 36 -2,-0.4 81,-2.6 1,-0.1 2,-0.4 -0.353 30.3-119.0 -80.2 152.5 10.2 21.9 15.0 106 111 A Y E +E 185 0B 18 101,-0.3 2,-0.3 79,-0.2 79,-0.2 -0.758 41.7 173.6 -74.0 138.4 11.0 23.5 11.8 107 112 A A E -E 184 0B 13 77,-1.8 77,-1.8 -2,-0.4 2,-0.3 -0.930 35.3-115.1-150.5 128.7 9.6 27.0 11.8 108 113 A L E -E 183 0B 0 -2,-0.3 91,-3.4 75,-0.2 2,-0.4 -0.469 37.2-169.8 -63.8 122.0 10.0 29.8 9.3 109 114 A A E -EF 182 198B 0 73,-2.7 73,-2.0 -2,-0.3 2,-0.3 -0.956 9.4-177.4-117.2 136.5 11.9 32.6 10.9 110 115 A V E -EF 181 197B 0 87,-2.2 87,-3.2 -2,-0.4 71,-0.1 -0.863 46.9 -79.6-118.1 158.4 12.4 36.1 9.5 111 116 A R E > - F 0 196B 20 69,-0.6 4,-1.6 -2,-0.3 85,-0.3 -0.400 43.6-134.6 -52.3 131.0 14.4 39.1 10.9 112 117 A A H > S+ 0 0 4 83,-2.8 4,-1.5 82,-0.2 84,-0.2 0.863 102.8 50.0 -68.7 -37.5 12.1 40.6 13.6 113 118 A D H > S+ 0 0 67 82,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.897 108.6 54.9 -65.5 -36.9 12.6 44.2 12.6 114 119 A W H > S+ 0 0 43 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.862 112.4 41.6 -63.9 -37.4 11.9 43.2 8.9 115 120 A A H X>S+ 0 0 2 -4,-1.6 5,-2.2 2,-0.2 4,-0.7 0.676 112.2 55.6 -85.2 -21.8 8.5 41.7 9.9 116 121 A E H ><5S+ 0 0 125 -4,-1.5 3,-1.3 3,-0.2 -2,-0.2 0.985 111.0 44.8 -63.2 -65.1 7.8 44.6 12.3 117 122 A E H 3<5S+ 0 0 147 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.1 0.682 121.4 38.7 -47.8 -31.3 8.3 47.1 9.4 118 123 A N H 3<5S- 0 0 68 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.440 106.7-114.5-110.8 -0.3 6.2 45.0 6.9 119 124 A G T <<5 + 0 0 61 -3,-1.3 2,-0.5 -4,-0.7 -3,-0.2 0.963 61.0 149.9 68.5 53.8 3.3 43.6 9.0 120 125 A V < + 0 0 4 -5,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.974 11.8 133.2-127.3 120.4 4.2 39.9 8.8 121 126 A E + 0 0 128 -2,-0.5 79,-2.7 1,-0.1 2,-0.3 0.427 64.1 56.6-143.2 -4.9 3.5 37.3 11.4 122 127 A K B S-i 200 0C 88 77,-0.2 4,-0.4 1,-0.1 3,-0.3 -0.792 80.4-119.8-117.8 168.7 2.0 34.2 9.6 123 128 A I S > S+ 0 0 0 77,-1.9 3,-1.2 -2,-0.3 4,-0.3 0.847 112.4 62.0 -78.6 -33.2 3.6 32.2 6.7 124 129 A S G > S+ 0 0 42 76,-0.3 3,-0.9 1,-0.3 4,-0.2 0.750 95.8 63.7 -64.1 -19.3 0.7 33.0 4.4 125 130 A D G > S+ 0 0 42 -3,-0.3 3,-0.9 1,-0.2 4,-0.4 0.786 89.5 66.3 -69.0 -31.7 1.7 36.7 4.8 126 131 A L G <> S+ 0 0 0 -3,-1.2 4,-1.0 -4,-0.4 3,-0.3 0.566 78.0 88.8 -64.0 -11.2 5.1 35.9 3.1 127 132 A A G X4 S+ 0 0 43 -3,-0.9 3,-0.5 -4,-0.3 4,-0.4 0.885 85.5 48.5 -58.6 -43.6 3.2 35.2 -0.1 128 133 A E T <4 S+ 0 0 151 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.823 121.6 35.7 -64.8 -33.6 3.3 38.9 -1.3 129 134 A F T >> S+ 0 0 36 -4,-0.4 3,-1.6 -3,-0.3 4,-0.6 0.380 86.5 100.1-102.6 3.1 7.1 39.1 -0.6 130 135 A A G X< S+ 0 0 2 -4,-1.0 30,-1.8 -3,-0.5 3,-1.5 0.894 77.2 57.2 -65.0 -44.1 8.3 35.6 -1.5 131 136 A D G 34 S+ 0 0 103 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.538 111.5 45.8 -60.1 -9.8 9.7 36.5 -5.0 132 137 A Q G <4 S+ 0 0 119 -3,-1.6 2,-0.4 28,-0.0 -1,-0.3 0.486 97.7 94.4-104.7 -10.2 11.9 39.1 -3.2 133 138 A L << - 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0 0 4 -3,-2.4 3,-1.4 1,-0.1 4,-0.1 -0.912 58.1-165.4-108.8 110.3 17.7 27.0 19.0 189 194 A S T >> S+ 0 0 7 -2,-0.7 4,-2.3 53,-0.4 3,-1.1 0.461 76.0 89.4 -72.2 -3.9 17.6 30.2 21.2 190 195 A R H 3> S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.632 77.4 70.2 -65.3 -10.3 19.6 32.1 18.6 191 196 A V H <4>S+ 0 0 5 -3,-1.4 5,-2.5 -6,-0.2 -1,-0.2 0.824 106.3 35.2 -67.2 -37.7 16.1 32.8 17.2 192 197 A D H X45S+ 0 0 109 -3,-1.1 3,-1.3 3,-0.2 -2,-0.2 0.894 117.8 52.8 -82.0 -43.8 15.5 35.0 20.3 193 198 A L H 3<5S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.890 110.4 44.3 -57.3 -48.1 19.1 36.4 20.5 194 199 A F T 3<5S- 0 0 41 -4,-1.7 -1,-0.3 -5,-0.1 -82,-0.2 0.228 116.6-111.3 -90.9 14.6 19.4 37.6 16.9 195 200 A N T < 5 + 0 0 95 -3,-1.3 -83,-2.8 1,-0.2 -82,-0.5 0.964 60.4 158.2 54.3 61.9 16.0 39.1 17.1 196 201 A L E < -F 111 0B 11 -5,-2.5 2,-0.6 -85,-0.3 -85,-0.2 -0.831 35.4-139.4-106.7 151.4 14.2 36.8 14.7 197 202 A K E -F 110 0B 54 -87,-3.2 -87,-2.2 -2,-0.3 2,-0.4 -0.966 10.5-143.9-111.8 112.5 10.5 36.3 14.6 198 203 A I E -F 109 0B 67 -2,-0.6 -89,-0.3 -89,-0.2 2,-0.2 -0.637 27.4-132.2 -65.8 129.4 9.3 32.8 14.1 199 204 A L - 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0 0 0 -136,-2.5 -1,-0.2 -4,-0.5 -2,-0.1 -0.906 69.7-166.8-120.4 102.8 14.6 16.7 28.5 237 242 A D > - 0 0 86 -2,-0.6 4,-2.1 -3,-0.1 -135,-0.3 -0.303 41.5 -94.7 -76.0 170.9 11.7 19.2 27.9 238 243 A T H > S+ 0 0 51 -137,-0.5 4,-2.4 1,-0.2 5,-0.1 0.859 124.3 52.0 -56.6 -39.9 11.9 21.8 25.1 239 244 A D H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 109.0 49.4 -66.2 -43.5 13.2 24.5 27.4 240 245 A T H > S+ 0 0 45 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.851 109.8 51.3 -60.8 -40.9 16.0 22.3 28.7 241 246 A M H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.950 109.8 50.8 -64.1 -46.1 17.1 21.3 25.2 242 247 A R H X S+ 0 0 73 -4,-2.4 4,-2.5 1,-0.2 -53,-0.4 0.890 111.6 47.3 -53.6 -47.7 17.2 25.0 24.3 243 248 A A H X S+ 0 0 57 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.888 113.4 47.5 -66.5 -39.8 19.3 25.8 27.3 244 249 A L H X S+ 0 0 14 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.907 112.9 49.2 -67.1 -42.4 21.7 22.9 26.6 245 250 A N H >X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 3,-0.5 0.902 105.6 57.9 -60.1 -43.7 21.9 24.0 22.9 246 251 A Y H 3X>S+ 0 0 78 -4,-2.5 5,-1.5 1,-0.2 4,-1.4 0.931 102.7 54.6 -50.8 -46.4 22.6 27.6 24.0 247 252 A Q H 3<5S+ 0 0 56 -4,-1.8 6,-2.7 1,-0.2 -1,-0.2 0.838 113.2 42.8 -57.4 -36.5 25.6 26.2 25.9 248 253 A Y H <<5S+ 0 0 67 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.931 123.6 28.9 -77.2 -51.4 27.0 24.6 22.8 249 254 A D H <5S+ 0 0 9 -4,-2.4 -3,-0.2 3,-0.1 -2,-0.1 0.929 133.2 27.0 -80.8 -52.5 26.4 27.2 20.0 250 255 A V T <5S+ 0 0 51 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.983 131.2 34.0 -74.8 -66.4 26.7 30.5 22.0 251 256 A E S - 0 0 89 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.320 26.6-125.2 -60.9 144.2 31.9 21.0 24.1 255 260 A A H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.898 109.7 48.5 -61.0 -49.3 29.0 18.7 23.3 256 261 A R H > S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 109.9 52.1 -56.7 -41.4 30.3 15.9 25.6 257 262 A E H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 110.1 49.6 -64.2 -39.2 30.9 18.3 28.5 258 263 A I H X S+ 0 0 4 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.909 113.5 45.2 -67.5 -42.1 27.4 19.6 28.2 259 264 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.904 113.1 49.2 -68.7 -46.1 25.9 16.1 28.2 260 265 A M H X S+ 0 0 56 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.881 112.5 48.5 -61.1 -41.0 28.1 14.8 31.1 261 266 A S H X S+ 0 0 81 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.812 111.3 49.9 -73.7 -32.9 27.2 17.9 33.2 262 267 A F H X S+ 0 0 9 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.932 111.9 48.6 -66.0 -45.3 23.5 17.4 32.4 263 268 A L H X>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 6,-0.9 0.892 111.7 47.9 -66.3 -39.4 23.8 13.7 33.4 264 269 A K H ><5S+ 0 0 97 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.931 111.4 52.0 -61.9 -46.9 25.7 14.5 36.7 265 270 A E H 3<5S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.764 108.8 50.6 -60.2 -28.4 23.0 17.2 37.5 266 271 A Q H 3<5S- 0 0 65 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.501 113.2-115.2 -92.7 -7.3 20.2 14.6 36.9 267 272 A G T <<5S+ 0 0 65 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.544 85.3 117.3 86.0 10.5 21.7 12.0 39.2 268 273 A L S