==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 30-JUN-10 3NRK . COMPND 2 MOLECULE: LIC12922; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS SEROVAR COPENHA . AUTHOR P.O.GIUSEPPE,M.V.ATZINGEN,A.L.T.O.NASCIMENTO,N.I.T.ZANCHIN, . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 73.4 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 . 33 10.6 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 . 1 0.3 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 1 3 0 0 1 0 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 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 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 50 A L 0 0 215 0, 0.0 2,-1.7 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 4.9 31.2 -52.5 -9.4 2 51 A N - 0 0 93 13,-0.1 2,-0.1 12,-0.1 15,-0.0 -0.634 360.0-177.3 -83.1 75.3 27.4 -52.0 -10.2 3 52 A R - 0 0 70 -2,-1.7 12,-2.5 11,-0.1 2,-0.5 -0.354 31.5-101.6 -79.1 156.1 27.0 -49.9 -7.0 4 53 A V E -A 14 0A 69 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.737 31.7-178.3 -84.5 123.7 23.7 -48.4 -5.7 5 54 A I E - 0 0 2 8,-2.8 288,-3.5 -2,-0.5 289,-1.9 0.868 65.0 -22.1 -82.1 -49.2 23.4 -44.7 -6.5 6 55 A A E -AB 13 292A 0 7,-1.2 7,-3.5 286,-0.3 2,-0.4 -0.978 50.3-131.8-159.6 164.5 20.1 -44.1 -4.7 7 56 A T E -AB 12 291A 37 284,-2.0 284,-1.6 -2,-0.3 2,-0.7 -0.996 13.2-169.3-127.8 124.7 16.8 -45.7 -3.4 8 57 A V E > -AB 11 290A 0 3,-1.9 3,-2.0 -2,-0.4 282,-0.2 -0.940 66.1 -57.2-115.4 104.0 13.5 -44.2 -4.2 9 58 A G T 3 S- 0 0 30 280,-3.2 45,-0.1 -2,-0.7 282,-0.1 -0.430 122.4 -16.9 63.9-126.3 10.9 -45.9 -2.0 10 59 A T T 3 S+ 0 0 110 -2,-0.1 -1,-0.3 43,-0.1 2,-0.1 0.678 121.1 96.9 -80.3 -21.5 11.2 -49.6 -2.8 11 60 A V E < -A 8 0A 38 -3,-2.0 -3,-1.9 42,-0.1 2,-0.4 -0.437 59.1-157.4 -72.8 141.1 13.1 -48.9 -6.0 12 61 A S E -A 7 0A 67 -5,-0.2 2,-0.7 -2,-0.1 -5,-0.2 -0.981 7.0-146.6-121.2 132.1 17.0 -49.1 -6.1 13 62 A I E -A 6 0A 7 -7,-3.5 -8,-2.8 -2,-0.4 -7,-1.2 -0.894 17.8-164.0-103.2 114.7 18.9 -47.2 -8.7 14 63 A S E > -A 4 0A 12 -2,-0.7 4,-1.6 -10,-0.3 -10,-0.2 -0.675 33.5-115.8 -92.7 154.3 22.1 -49.1 -9.8 15 64 A E H > S+ 0 0 46 -12,-2.5 4,-1.8 -2,-0.3 5,-0.1 0.853 121.8 54.6 -57.0 -34.4 25.1 -47.6 -11.6 16 65 A L H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.975 101.6 55.7 -60.9 -55.2 24.1 -50.1 -14.4 17 66 A D H > S+ 0 0 67 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.781 108.1 51.9 -44.1 -38.3 20.5 -48.7 -14.5 18 67 A L H X S+ 0 0 6 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.942 109.3 46.5 -63.8 -56.5 22.2 -45.3 -15.1 19 68 A D H < S+ 0 0 87 -4,-1.8 4,-0.5 -3,-0.3 -2,-0.2 0.864 112.7 50.9 -56.1 -43.0 24.3 -46.5 -18.1 20 69 A D H >X S+ 0 0 96 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.951 113.7 44.2 -59.9 -50.0 21.3 -48.3 -19.6 21 70 A A H 3X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.782 90.6 89.7 -65.1 -30.7 19.2 -45.0 -19.3 22 71 A T H 3X S+ 0 0 37 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.731 90.9 44.1 -37.9 -40.2 22.2 -43.0 -20.7 23 72 A E H X> S+ 0 0 119 -3,-0.9 4,-1.6 -4,-0.5 3,-0.6 0.986 114.1 46.0 -72.9 -59.8 20.9 -43.4 -24.3 24 73 A K H 3X S+ 0 0 31 -4,-0.5 4,-2.0 1,-0.2 3,-0.2 0.904 109.8 55.1 -47.6 -54.4 17.2 -42.8 -23.8 25 74 A Y H 3X S+ 0 0 7 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.827 106.4 53.0 -50.8 -39.2 17.8 -39.6 -21.6 26 75 A N H << S+ 0 0 64 -4,-1.0 4,-0.4 -3,-0.6 3,-0.4 0.933 112.0 42.3 -64.0 -47.1 19.9 -38.2 -24.5 27 76 A R H < S+ 0 0 33 -4,-1.6 4,-0.3 -3,-0.2 3,-0.3 0.743 117.5 49.5 -71.4 -23.3 17.1 -38.6 -27.1 28 77 A L H X S+ 0 0 28 -4,-2.0 4,-2.5 -5,-0.2 3,-0.5 0.653 88.2 83.1 -85.1 -22.9 14.6 -37.4 -24.5 29 78 A Q T < S+ 0 0 39 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.763 87.7 57.5 -52.9 -30.3 16.8 -34.2 -23.6 30 79 A K T 4 S+ 0 0 102 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.939 115.9 33.2 -63.1 -50.1 15.1 -32.6 -26.7 31 80 A H T 4 S+ 0 0 82 -3,-0.5 2,-1.4 -4,-0.3 -2,-0.2 0.696 93.4 96.8 -79.8 -27.8 11.5 -33.1 -25.2 32 81 A L < - 0 0 48 -4,-2.5 2,-0.7 -7,-0.2 3,-0.3 -0.561 52.2-179.5 -71.3 88.6 12.5 -32.7 -21.5 33 82 A K + 0 0 88 -2,-1.4 -1,-0.1 1,-0.2 -3,-0.1 -0.276 67.2 51.0 -89.2 46.6 11.6 -28.9 -21.1 34 83 A H + 0 0 106 -2,-0.7 -1,-0.2 244,-0.0 -2,-0.0 0.525 67.6 117.3-145.3 -41.1 12.5 -28.6 -17.4 35 84 A E - 0 0 41 -3,-0.3 2,-0.8 1,-0.1 9,-0.0 -0.119 61.0-130.1 -46.0 128.5 16.2 -29.8 -16.6 36 85 A D > - 0 0 46 1,-0.1 3,-2.3 2,-0.0 -1,-0.1 -0.798 11.8-155.4 -88.5 103.8 18.6 -27.1 -15.4 37 86 A Y T 3 S+ 0 0 133 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.525 85.7 79.3 -57.6 -11.0 21.8 -27.4 -17.6 38 87 A R T 3 S+ 0 0 108 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.753 84.6 79.3 -65.1 -28.7 23.9 -25.8 -14.8 39 88 A K S < S- 0 0 76 -3,-2.3 262,-0.0 1,-0.1 -4,-0.0 -0.546 94.6-100.4 -81.9 146.6 23.8 -29.4 -13.2 40 89 A S > - 0 0 41 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.186 25.4-114.1 -65.3 158.1 26.1 -32.2 -14.5 41 90 A F H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.928 120.8 56.3 -55.5 -47.0 24.9 -35.0 -16.8 42 91 A R H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 111.9 41.7 -51.9 -46.5 25.5 -37.4 -13.9 43 92 A T H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.982 114.2 50.5 -63.7 -59.5 23.0 -35.3 -11.7 44 93 A R H X S+ 0 0 30 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.791 112.6 47.1 -49.1 -40.4 20.4 -34.7 -14.5 45 94 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.914 113.1 47.1 -71.4 -44.5 20.3 -38.5 -15.4 46 95 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 5,-0.2 0.957 113.2 50.2 -57.8 -51.3 20.0 -39.6 -11.7 47 96 A D H X S+ 0 0 19 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.868 109.7 51.6 -53.1 -40.0 17.3 -36.9 -11.3 48 97 A F H X S+ 0 0 26 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.956 111.5 46.2 -62.1 -50.2 15.6 -38.4 -14.4 49 98 A L H X S+ 0 0 25 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.876 108.9 54.6 -61.7 -40.9 15.7 -41.9 -12.9 50 99 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.898 107.6 51.4 -59.6 -42.7 14.4 -40.7 -9.5 51 100 A D H X S+ 0 0 45 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.887 112.1 45.9 -65.4 -32.8 11.4 -39.1 -11.3 52 101 A R H X S+ 0 0 40 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.885 110.5 53.6 -74.1 -36.0 10.8 -42.4 -13.1 53 102 A A H X S+ 0 0 3 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.914 105.7 53.6 -62.3 -46.3 11.2 -44.3 -9.8 54 103 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.890 109.8 48.4 -55.1 -46.4 8.5 -42.1 -8.1 55 104 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.950 113.6 45.6 -62.4 -49.6 6.0 -42.9 -10.9 56 105 A D H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.940 115.5 47.6 -56.1 -53.2 6.7 -46.6 -10.7 57 106 A V H X S+ 0 0 6 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.902 115.1 44.1 -54.3 -52.6 6.5 -46.6 -6.8 58 107 A V H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.850 110.8 54.6 -66.9 -34.9 3.2 -44.5 -6.7 59 108 A A H <>S+ 0 0 2 -4,-2.6 5,-2.6 -5,-0.2 4,-0.3 0.924 105.3 54.1 -65.4 -41.1 1.6 -46.6 -9.5 60 109 A E H ><5S+ 0 0 130 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.960 109.1 48.5 -52.3 -57.5 2.3 -49.8 -7.4 61 110 A E H 3<5S+ 0 0 114 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 114.0 45.7 -52.6 -37.7 0.5 -48.2 -4.4 62 111 A E T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.309 114.5-117.8 -92.9 10.6 -2.5 -47.3 -6.6 63 112 A S T < 5 + 0 0 87 -3,-2.4 2,-0.8 -4,-0.3 -3,-0.2 0.748 59.0 155.0 56.7 32.4 -2.5 -50.7 -8.3 64 113 A I < - 0 0 13 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.824 21.3-176.3 -86.8 108.6 -1.7 -49.3 -11.8 65 114 A Q - 0 0 153 -2,-0.8 2,-0.5 -3,-0.1 -5,-0.0 -0.946 16.2-164.2-113.3 134.5 -0.1 -52.3 -13.4 66 115 A V + 0 0 36 -2,-0.4 2,-0.2 4,-0.0 -2,-0.0 -0.952 17.6 178.8-122.4 105.4 1.3 -52.2 -16.9 67 116 A N > - 0 0 95 -2,-0.5 4,-1.8 1,-0.0 3,-0.1 -0.568 46.7 -94.9-102.7 168.8 2.0 -55.7 -18.4 68 117 A E H > S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.854 126.7 49.7 -47.7 -43.5 3.3 -56.9 -21.9 69 118 A Q H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 106.9 52.6 -62.5 -51.3 -0.3 -57.2 -23.1 70 119 A R H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.804 105.9 56.0 -55.4 -35.9 -1.4 -53.6 -21.9 71 120 A V H X S+ 0 0 22 -4,-1.8 4,-2.0 2,-0.2 3,-0.4 0.974 110.2 43.8 -60.7 -54.8 1.6 -52.2 -23.9 72 121 A D H X S+ 0 0 33 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.904 111.7 54.8 -54.6 -47.0 0.4 -53.8 -27.1 73 122 A S H X S+ 0 0 68 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.827 109.4 47.3 -54.7 -42.1 -3.2 -52.7 -26.3 74 123 A E H X S+ 0 0 62 -4,-1.9 4,-1.6 -3,-0.4 -1,-0.2 0.880 108.8 53.4 -69.3 -43.1 -2.0 -49.0 -26.0 75 124 A I H X S+ 0 0 6 -4,-2.0 4,-1.3 1,-0.2 3,-0.3 0.943 114.1 43.0 -57.8 -48.5 -0.0 -49.2 -29.3 76 125 A E H X S+ 0 0 104 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.790 111.2 53.6 -68.7 -31.4 -3.2 -50.4 -31.1 77 126 A K H < S+ 0 0 59 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.762 109.3 50.9 -73.0 -24.3 -5.4 -47.9 -29.3 78 127 A R H >X S+ 0 0 64 -4,-1.6 4,-1.9 -3,-0.3 3,-0.6 0.766 111.5 46.7 -79.5 -31.3 -2.8 -45.2 -30.6 79 128 A M H 3X S+ 0 0 10 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.929 103.0 62.3 -72.9 -49.1 -3.2 -46.6 -34.2 80 129 A E H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.217 114.6 36.5 -63.5 14.8 -7.1 -46.6 -33.8 81 130 A V H <4 S+ 0 0 88 -3,-0.6 -1,-0.2 3,-0.1 -2,-0.2 0.514 116.3 48.3-130.1 -49.3 -6.7 -42.8 -33.4 82 131 A M H < S- 0 0 105 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.700 106.9-123.9 -68.2 -24.5 -3.8 -41.9 -35.8 83 132 A G < + 0 0 62 -4,-2.8 -4,-0.1 1,-0.3 -1,-0.1 -0.253 61.2 143.6 107.0 -39.6 -5.6 -44.0 -38.5 84 133 A I - 0 0 32 -6,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.131 26.5-178.3 -33.8 133.8 -2.5 -46.3 -39.1 85 134 A T + 0 0 130 1,-0.1 2,-0.3 -5,-0.1 -1,-0.1 0.770 58.6 70.1-108.8 -43.1 -3.3 -50.0 -40.0 86 135 A N > - 0 0 47 1,-0.1 4,-1.2 -7,-0.1 3,-0.1 -0.654 67.3-145.4 -84.2 136.5 0.1 -51.8 -40.4 87 136 A R H > S+ 0 0 84 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.776 100.3 57.5 -67.0 -30.3 2.3 -52.3 -37.2 88 137 A K H > S+ 0 0 78 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.835 104.1 49.9 -69.5 -39.9 5.4 -51.8 -39.4 89 138 A Q H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.842 107.7 54.4 -69.5 -34.4 4.4 -48.3 -40.6 90 139 A F H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 5,-0.2 0.833 101.2 59.8 -65.7 -37.0 3.6 -47.1 -37.0 91 140 A E H X S+ 0 0 76 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.838 110.4 41.5 -61.3 -34.1 7.2 -48.2 -36.0 92 141 A K H X S+ 0 0 60 -4,-0.9 4,-1.2 -3,-0.3 -2,-0.2 0.836 109.9 58.2 -79.2 -39.4 8.6 -45.7 -38.6 93 142 A T H X S+ 0 0 50 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.879 111.4 41.9 -56.8 -45.9 6.0 -42.9 -37.7 94 143 A M H X S+ 0 0 11 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.861 108.6 58.3 -72.1 -40.2 7.2 -42.9 -34.0 95 144 A E H X S+ 0 0 91 -4,-1.2 4,-1.3 -5,-0.2 5,-0.3 0.737 107.4 50.7 -61.4 -26.8 10.9 -43.1 -35.0 96 145 A T H < S+ 0 0 80 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.980 115.7 38.1 -71.9 -61.9 10.4 -39.9 -36.9 97 146 A S H < S+ 0 0 106 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.788 127.7 36.2 -59.7 -37.6 8.7 -37.9 -34.1 98 147 A S H < S- 0 0 35 -4,-2.9 -3,-0.2 2,-0.2 -1,-0.2 0.864 87.1-142.0 -85.5 -44.4 10.9 -39.4 -31.3 99 148 A G < + 0 0 55 -4,-1.3 -3,-0.1 -5,-0.4 -4,-0.1 0.916 68.1 113.7 72.2 44.8 14.3 -39.7 -33.1 100 149 A M S S- 0 0 9 -5,-0.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.988 78.2 -98.4-147.9 135.7 14.7 -42.9 -31.2 101 150 A P >> - 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0 0 81 -4,-2.6 3,-1.2 1,-0.1 4,-0.4 -0.904 63.9-170.4-136.3 100.6 -14.1 -4.8 -65.0 183 232 A P T > S+ 0 0 67 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.829 84.4 70.5 -60.1 -31.1 -14.1 -6.5 -61.5 184 233 A S T >> S+ 0 0 87 1,-0.3 4,-0.8 2,-0.2 3,-0.5 0.752 87.9 67.9 -54.0 -30.2 -18.0 -6.7 -61.6 185 234 A S H X> S+ 0 0 25 -3,-1.2 4,-2.3 -7,-0.2 3,-0.5 0.865 81.9 72.5 -58.0 -46.5 -17.6 -9.3 -64.4 186 235 A F H <> S+ 0 0 1 -3,-1.2 4,-1.6 -4,-0.4 -1,-0.2 0.798 96.8 50.1 -42.4 -45.7 -16.0 -12.0 -62.0 187 236 A A H <> S+ 0 0 37 -3,-0.5 4,-1.4 -4,-0.5 -1,-0.3 0.934 114.1 44.3 -59.6 -49.5 -19.4 -12.6 -60.4 188 237 A L H < S- 0 0 23 -4,-1.3 3,-1.1 -5,-0.2 -3,-0.0 -0.209 89.0-107.0 -61.3 150.6 -21.6 -18.5 -66.3 193 242 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.619 109.7 70.9 -59.3 -19.1 -21.6 -22.1 -67.8 194 243 A R T 3 S+ 0 0 110 -5,-0.2 -38,-0.3 2,-0.1 -4,-0.1 0.869 86.3 80.5 -64.5 -38.1 -17.8 -22.2 -68.4 195 244 A N S < S- 0 0 2 -3,-1.1 -40,-0.1 -6,-0.5 5,-0.1 -0.230 103.5 -79.6 -65.0 155.0 -17.1 -22.5 -64.6 196 245 A D >> - 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0 0 2 -4,-3.4 4,-2.2 1,-0.1 -1,-0.2 -0.794 52.2-167.7-152.8 108.8 -6.1 -28.1 -52.2 219 268 A K H > S+ 0 0 123 -4,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.895 96.1 49.5 -55.6 -43.3 -2.4 -27.4 -51.4 220 269 A I H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.977 109.2 48.8 -60.1 -63.7 -2.1 -25.4 -54.8 221 270 A T H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.842 116.5 44.6 -44.7 -47.2 -5.3 -23.2 -54.3 222 271 A A H X S+ 0 0 2 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.969 110.3 50.9 -65.6 -56.9 -4.1 -22.3 -50.7 223 272 A T H < S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.752 116.5 45.2 -52.1 -28.8 -0.4 -21.6 -51.5 224 273 A I H < S+ 0 0 48 -4,-2.0 -1,-0.3 -5,-0.2 4,-0.3 0.855 118.8 40.7 -80.0 -44.8 -1.7 -19.3 -54.3 225 274 A A H >< S+ 0 0 0 -4,-2.1 3,-2.3 -5,-0.2 -2,-0.2 0.923 100.6 71.1 -71.9 -49.7 -4.4 -17.6 -52.1 226 275 A A T 3< S+ 0 0 33 -4,-3.3 -1,-0.2 1,-0.3 -3,-0.1 0.798 99.7 45.6 -36.4 -53.4 -2.3 -17.2 -48.9 227 276 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.586 92.1 101.0 -76.8 -7.4 -0.0 -14.4 -50.2 228 277 A L < - 0 0 33 -3,-2.3 3,-0.1 -4,-0.3 4,-0.1 -0.643 62.8-137.6 -90.5 138.5 -2.7 -12.3 -51.8 229 278 A P > - 0 0 80 0, 0.0 3,-1.7 0, 0.0 20,-0.3 0.142 49.7 -59.3 -64.8-175.9 -4.2 -9.1 -50.3 230 279 A N T 3 S+ 0 0 99 1,-0.3 20,-0.2 20,-0.1 3,-0.1 -0.481 130.3 12.8 -68.0 135.4 -7.8 -8.1 -50.3 231 280 A G T 3 S+ 0 0 35 18,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.571 91.2 153.9 70.7 11.0 -9.0 -7.9 -54.0 232 281 A G < - 0 0 12 -3,-1.7 17,-1.9 -4,-0.1 2,-0.5 -0.567 35.5-148.2 -72.4 126.4 -5.9 -9.7 -55.1 233 282 A V B -E 248 0B 24 -2,-0.3 15,-0.2 15,-0.2 2,-0.1 -0.886 17.4-132.0 -95.8 126.1 -6.4 -11.5 -58.4 234 283 A S - 0 0 2 13,-3.8 3,-0.1 -2,-0.5 -9,-0.1 -0.357 23.0-105.5 -72.0 157.6 -4.3 -14.7 -58.6 235 284 A E - 0 0 133 1,-0.1 2,-0.3 -11,-0.1 12,-0.3 -0.247 55.4 -75.4 -72.1 168.1 -2.2 -15.4 -61.7 236 285 A V + 0 0 43 10,-0.1 2,-0.3 8,-0.0 10,-0.2 -0.574 69.5 165.7 -71.4 125.6 -3.6 -18.2 -64.0 237 286 A F E -F 245 0B 19 8,-2.5 8,-3.9 -2,-0.3 2,-0.4 -0.923 33.9-109.4-138.1 168.0 -2.9 -21.5 -62.4 238 287 A R E -F 244 0B 75 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.850 25.7-129.3-107.8 137.7 -3.8 -25.2 -62.5 239 288 A D > - 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0 0 10 -110,-1.4 2,-0.1 -2,-0.1 5,-0.0 -0.305 45.9-114.3 -52.9 119.8 -9.8 -16.1 -37.3 256 305 A P >> - 0 0 28 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.373 14.9-124.2 -62.2 141.2 -12.6 -15.7 -34.7 257 306 A M H 3> S+ 0 0 18 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.863 105.3 72.1 -46.6 -45.9 -12.0 -17.2 -31.3 258 307 A E H 34 S+ 0 0 109 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.719 101.2 43.7 -42.9 -35.4 -15.2 -19.2 -31.5 259 308 A N H <4 S+ 0 0 101 -3,-1.8 3,-0.3 1,-0.2 4,-0.3 0.876 117.0 43.8 -83.9 -38.7 -13.6 -21.5 -34.1 260 309 A L H X S+ 0 0 50 -4,-1.1 4,-2.7 -3,-0.5 5,-0.2 0.355 83.7 108.3 -86.1 2.6 -10.3 -21.9 -32.3 261 310 A R H X S+ 0 0 65 -4,-0.9 4,-2.5 1,-0.2 3,-0.3 0.921 82.3 40.7 -46.2 -60.5 -12.1 -22.4 -28.9 262 311 A G H > S+ 0 0 32 -3,-0.3 4,-3.0 -4,-0.3 -1,-0.2 0.886 115.1 51.8 -55.4 -47.0 -11.3 -26.2 -28.7 263 312 A G H > S+ 0 0 41 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.863 111.3 46.4 -60.7 -40.2 -7.8 -25.7 -30.0 264 313 A I H X S+ 0 0 4 -4,-2.7 4,-2.9 -3,-0.3 -2,-0.2 0.928 112.2 51.7 -68.0 -43.7 -7.0 -23.0 -27.4 265 314 A Q H X S+ 0 0 71 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.924 110.2 49.3 -55.1 -50.7 -8.5 -25.2 -24.6 266 315 A N H X S+ 0 0 81 -4,-3.0 4,-2.0 2,-0.2 5,-0.3 0.914 111.1 49.0 -58.4 -44.7 -6.3 -28.1 -25.7 267 316 A I H X S+ 0 0 61 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.966 115.2 45.2 -60.1 -49.5 -3.2 -25.9 -25.7 268 317 A L H X S+ 0 0 38 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.879 113.3 47.7 -60.2 -45.5 -4.1 -24.6 -22.2 269 318 A Y H X S+ 0 0 80 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.836 110.2 50.7 -65.6 -43.1 -5.0 -27.9 -20.6 270 319 A R H X S+ 0 0 132 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.881 111.3 48.4 -64.9 -39.4 -1.9 -29.8 -21.8 271 320 A D H < S+ 0 0 97 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.688 109.8 55.8 -73.3 -20.0 0.3 -27.0 -20.5 272 321 A K H >X S+ 0 0 42 -4,-0.8 4,-3.2 2,-0.2 3,-1.3 0.967 111.2 40.8 -74.9 -54.6 -1.7 -27.3 -17.2 273 322 A E H 3X>S+ 0 0 54 -4,-2.5 4,-2.5 1,-0.3 5,-0.5 0.941 109.7 59.4 -56.0 -52.3 -1.0 -31.1 -16.8 274 323 A E H 3<5S+ 0 0 47 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.618 117.7 32.9 -52.9 -15.4 2.7 -30.6 -17.9 275 324 A D H <>5S+ 0 0 93 -3,-1.3 4,-2.0 -4,-0.2 -2,-0.2 0.772 117.0 51.4-107.9 -48.9 3.1 -28.2 -14.9 276 325 A T H >X5S+ 0 0 13 -4,-3.2 4,-2.8 1,-0.2 3,-0.8 0.972 116.6 43.3 -54.0 -53.4 0.7 -29.8 -12.3 277 326 A F H 3X5S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.861 110.8 54.8 -58.0 -43.1 2.5 -33.1 -12.9 278 327 A H H 3>X S+ 0 0 97 -4,-3.3 3,-1.7 1,-0.2 4,-0.8 0.908 111.1 52.1 -60.8 -51.3 6.1 -32.6 -4.2 284 333 A S H >X S+ 0 0 4 -4,-3.2 4,-2.1 1,-0.3 3,-1.0 0.874 97.8 65.3 -59.6 -36.6 6.3 -36.4 -4.2 285 334 A R H 3< S+ 0 0 62 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.608 103.6 49.5 -58.9 -17.1 10.2 -36.3 -3.9 286 335 A A H <4 S+ 0 0 88 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.709 116.7 38.9 -92.7 -28.8 9.5 -34.8 -0.5 287 336 A E H << S+ 0 0 139 -3,-1.0 -2,-0.2 -4,-0.8 -3,-0.1 0.938 102.4 71.7 -86.0 -57.2 7.0 -37.5 0.7 288 337 A I S < S- 0 0 17 -4,-2.1 2,-0.2 1,-0.1 -234,-0.1 -0.421 95.6-106.0 -64.1 129.3 8.5 -40.7 -0.8 289 338 A P - 0 0 101 0, 0.0 -280,-3.2 0, 0.0 2,-0.4 -0.375 44.1-179.0 -62.9 121.9 11.7 -41.8 1.1 290 339 A I E -B 8 0A 54 -282,-0.2 2,-0.4 -2,-0.2 -282,-0.2 -0.962 8.6-175.1-123.7 139.9 14.8 -41.1 -1.0 291 340 A Q E -B 7 0A 91 -284,-1.6 -284,-2.0 -2,-0.4 2,-0.4 -0.996 11.6-152.6-137.2 127.8 18.4 -41.9 0.0 292 341 A I E +B 6 0A 12 -2,-0.4 -286,-0.3 -286,-0.2 -287,-0.1 -0.864 20.0 169.2-101.9 135.0 21.4 -40.9 -2.0 293 342 A F + 0 0 114 -288,-3.5 2,-0.3 -2,-0.4 -287,-0.2 0.697 50.0 99.7-109.5 -33.7 24.5 -43.0 -1.7 294 343 A D > - 0 0 27 -289,-1.9 4,-2.3 1,-0.1 5,-0.1 -0.387 59.7-155.3 -61.3 114.8 26.6 -41.5 -4.6 295 344 A E H > S+ 0 0 128 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.828 89.6 59.2 -62.1 -37.5 29.1 -39.0 -3.3 296 345 A A H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.954 112.4 39.6 -54.5 -55.2 29.3 -37.0 -6.6 297 346 A Y H > S+ 0 0 16 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.914 113.7 55.1 -60.2 -49.9 25.6 -36.2 -6.5 298 347 A R H <>S+ 0 0 38 -4,-2.3 5,-1.5 2,-0.2 4,-0.5 0.941 113.9 41.5 -47.2 -57.7 25.7 -35.7 -2.7 299 348 A K H ><5S+ 0 0 78 -4,-3.1 3,-1.2 1,-0.2 -2,-0.2 0.926 118.6 44.3 -54.0 -59.7 28.5 -33.0 -3.2 300 349 A E H 3<5S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.8 43.3 -58.5 -45.6 27.0 -31.3 -6.2 301 350 A N T 3<5S- 0 0 45 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.295 111.7-116.4 -90.4 10.0 23.3 -31.1 -5.0 302 351 A K T < 5 + 0 0 190 -3,-1.2 -3,-0.2 -4,-0.5 -4,-0.1 0.976 47.6 171.0 56.4 68.7 24.4 -30.0 -1.4 303 352 A I < - 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