==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 30-JUN-06 2HJD . COMPND 2 MOLECULE: QUORUM-SENSING ANTIACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR L.CHEN . 357 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 76.5 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 1 0 0 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 12 A F 0 0 73 0, 0.0 3,-0.3 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 159.4 75.9 -22.6 -22.6 2 13 A E + 0 0 125 71,-0.3 2,-1.5 1,-0.2 72,-0.1 0.931 360.0 50.0 -82.6 -50.4 78.2 -19.5 -22.7 3 14 A L S > S+ 0 0 13 70,-0.7 3,-1.9 1,-0.2 4,-0.5 -0.631 71.3 179.9 -90.8 80.3 81.4 -21.2 -23.9 4 15 A R T >> S+ 0 0 152 -2,-1.5 3,-1.6 -3,-0.3 4,-0.8 0.824 72.7 64.2 -49.9 -42.7 80.0 -23.1 -26.8 5 16 A P H 3> S+ 0 0 58 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.776 91.2 68.0 -57.4 -22.9 83.3 -24.7 -27.9 6 17 A V H <> S+ 0 0 0 -3,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.853 91.3 61.1 -63.9 -33.9 83.3 -26.6 -24.6 7 18 A I H <> S+ 0 0 42 -3,-1.6 4,-0.5 -4,-0.5 -1,-0.2 0.898 108.8 41.6 -60.2 -42.2 80.3 -28.6 -25.7 8 19 A G H >< S+ 0 0 47 -4,-0.8 3,-0.7 -3,-0.2 -1,-0.2 0.900 111.2 56.5 -73.0 -39.6 82.3 -30.0 -28.7 9 20 A L H 3< S+ 0 0 38 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.760 109.9 44.0 -63.6 -28.7 85.5 -30.6 -26.6 10 21 A T H >< S+ 0 0 6 -4,-1.7 3,-2.2 -5,-0.1 -1,-0.2 0.527 80.1 127.7 -96.9 -5.9 83.8 -32.8 -24.0 11 22 A R T << S+ 0 0 192 -3,-0.7 3,-0.1 -4,-0.5 -3,-0.0 -0.197 76.4 21.2 -50.6 136.5 81.7 -34.9 -26.4 12 23 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 131,-0.1 131,-0.2 0.434 94.5 129.2 83.7 -3.2 82.3 -38.6 -25.7 13 24 A L < - 0 0 20 -3,-2.2 -1,-0.3 1,-0.1 2,-0.2 -0.520 60.5-115.7 -83.4 155.7 83.5 -38.0 -22.2 14 25 A S >> - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 3,-0.8 -0.575 25.9-111.7 -87.5 154.9 82.1 -39.9 -19.2 15 26 A S H 3> S+ 0 0 88 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.814 118.8 60.1 -54.5 -30.5 80.2 -38.0 -16.5 16 27 A A H 3> S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.894 107.4 42.1 -65.7 -42.2 83.1 -38.8 -14.2 17 28 A D H <> S+ 0 0 37 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.910 113.8 53.1 -71.4 -41.2 85.6 -37.0 -16.4 18 29 A I H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.885 108.6 49.6 -60.4 -40.0 83.2 -34.1 -16.9 19 30 A E H X S+ 0 0 75 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.860 107.7 55.1 -67.0 -35.0 82.7 -33.8 -13.1 20 31 A T H X S+ 0 0 60 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.929 109.2 46.6 -61.6 -45.9 86.5 -33.8 -12.8 21 32 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 113.2 50.3 -61.9 -42.9 86.7 -30.8 -15.2 22 33 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.896 110.2 48.1 -63.9 -43.0 83.9 -29.1 -13.3 23 34 A A H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.916 111.9 49.4 -65.2 -44.5 85.5 -29.5 -9.9 24 35 A N H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.927 111.1 51.2 -59.0 -44.2 88.8 -28.2 -11.2 25 36 A A H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.904 109.2 50.1 -59.7 -43.3 87.0 -25.3 -12.7 26 37 A I H X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.903 111.2 48.1 -64.7 -40.7 85.2 -24.5 -9.4 27 38 A R H X S+ 0 0 93 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.885 111.5 51.0 -66.5 -38.9 88.5 -24.6 -7.5 28 39 A L H X S+ 0 0 70 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.930 107.2 53.4 -63.6 -44.9 90.1 -22.3 -10.1 29 40 A H H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.909 108.7 49.9 -55.7 -44.7 87.3 -19.8 -9.8 30 41 A R H X S+ 0 0 111 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.885 111.1 48.2 -62.8 -41.1 87.7 -19.6 -6.1 31 42 A Q H X S+ 0 0 129 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.867 110.9 51.2 -68.3 -36.0 91.5 -19.0 -6.4 32 43 A L H X S+ 0 0 19 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.851 110.5 49.2 -70.1 -33.7 90.9 -16.3 -9.0 33 44 A L H X S+ 0 0 66 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.933 112.2 47.5 -69.2 -46.5 88.4 -14.6 -6.7 34 45 A E H X S+ 0 0 96 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 111.4 51.8 -58.4 -47.0 90.7 -14.7 -3.8 35 46 A K H X S+ 0 0 91 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.945 109.6 48.3 -55.4 -52.5 93.6 -13.4 -6.0 36 47 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.835 110.0 54.4 -58.3 -34.7 91.4 -10.5 -7.2 37 48 A D H X S+ 0 0 82 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.938 106.6 49.7 -63.9 -49.8 90.5 -9.7 -3.6 38 49 A Q H X S+ 0 0 102 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.898 111.9 48.6 -56.9 -44.2 94.1 -9.5 -2.4 39 50 A L H < S+ 0 0 17 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.878 108.7 54.1 -65.1 -39.5 95.0 -7.1 -5.3 40 51 A F H >< S+ 0 0 66 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.884 100.3 59.0 -63.8 -41.5 92.0 -4.9 -4.6 41 52 A Q H 3< S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.900 106.1 48.2 -55.8 -44.5 92.9 -4.3 -0.9 42 53 A V T 3< S+ 0 0 98 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.488 86.9 112.7 -77.9 -3.0 96.2 -2.8 -1.7 43 54 A L S < S- 0 0 8 -3,-1.4 5,-0.0 -4,-0.3 -3,-0.0 -0.411 78.8 -97.2 -70.1 145.7 94.9 -0.5 -4.4 44 55 A P >> - 0 0 43 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.183 26.2-119.6 -59.9 156.3 95.0 3.3 -3.5 45 56 A D H 3> S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.852 112.9 62.2 -65.8 -36.4 91.9 4.9 -2.1 46 57 A D H 3>>S+ 0 0 79 1,-0.2 6,-2.0 2,-0.2 4,-1.1 0.806 111.9 39.1 -59.5 -29.4 91.7 7.3 -5.1 47 58 A I H <45S+ 0 0 23 -3,-0.6 -2,-0.2 4,-0.2 -1,-0.2 0.892 112.7 53.0 -86.9 -46.9 91.2 4.2 -7.3 48 59 A K H <5S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.893 116.5 41.6 -55.3 -41.9 89.0 2.2 -4.9 49 60 A I H <5S- 0 0 140 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.3-114.8 -73.5 -44.5 86.6 5.3 -4.7 50 61 A G T <5S+ 0 0 61 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.444 84.9 114.9 120.5 5.1 86.8 6.2 -8.4 51 62 A T S S- 0 0 42 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.130 77.2 -75.9 100.2 160.9 98.4 3.0 -13.5 56 67 A E H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.827 129.1 49.9 -63.7 -34.9 100.2 -0.4 -13.6 57 68 A Q H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 111.8 47.2 -73.4 -37.9 98.6 -1.5 -10.3 58 69 A H H > S+ 0 0 18 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.913 112.0 49.6 -69.7 -42.1 95.1 -0.7 -11.4 59 70 A L H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 108.3 54.8 -63.8 -37.4 95.5 -2.4 -14.8 60 71 A E H X S+ 0 0 101 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.893 109.1 47.2 -62.3 -40.4 96.8 -5.5 -13.0 61 72 A Y H X S+ 0 0 35 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.903 110.5 52.4 -67.4 -41.3 93.7 -5.6 -10.8 62 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.885 108.6 50.7 -62.3 -39.1 91.5 -5.1 -13.9 63 74 A E H X S+ 0 0 75 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.892 107.7 52.5 -67.2 -38.7 93.2 -8.0 -15.6 64 75 A A H X S+ 0 0 11 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.919 113.1 45.5 -61.2 -42.5 92.7 -10.3 -12.6 65 76 A M H X S+ 0 0 26 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.903 111.1 51.1 -67.4 -44.2 89.0 -9.5 -12.6 66 77 A I H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.919 111.7 48.6 -60.4 -42.3 88.6 -9.9 -16.4 67 78 A E H X S+ 0 0 97 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.914 110.6 51.8 -63.9 -40.7 90.3 -13.3 -16.1 68 79 A M H X S+ 0 0 10 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.960 112.9 43.7 -60.3 -51.7 87.9 -14.2 -13.2 69 80 A H H X S+ 0 0 41 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.888 113.3 51.3 -61.0 -42.6 84.8 -13.3 -15.2 70 81 A A H >X S+ 0 0 5 -4,-2.5 3,-1.1 -5,-0.2 4,-0.6 0.934 108.9 50.7 -62.0 -45.3 86.1 -15.0 -18.3 71 82 A Q H >X S+ 0 0 18 -4,-2.5 4,-1.9 1,-0.2 3,-0.7 0.783 99.3 66.2 -65.4 -25.2 86.8 -18.2 -16.4 72 83 A M H 3X S+ 0 0 54 -4,-1.4 4,-2.8 1,-0.3 -1,-0.2 0.804 92.4 61.1 -66.3 -27.3 83.3 -18.2 -14.9 73 84 A S H S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 5,-0.8 0.935 108.9 50.6 -56.7 -45.3 78.1 -27.3 -14.7 80 91 A G H <5S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.5 47.4 -63.2 -29.9 75.4 -27.3 -17.3 81 92 A L H <5S+ 0 0 57 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.795 112.3 50.1 -80.7 -29.6 77.1 -30.2 -19.1 82 93 A L H <5S- 0 0 18 -4,-2.3 -2,-0.2 -64,-0.1 -3,-0.2 0.855 103.4-129.3 -75.8 -38.6 77.5 -32.1 -15.9 83 94 A G T <5S+ 0 0 66 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.1 0.452 75.9 32.2 101.5 2.1 73.9 -31.8 -14.8 84 95 A F S - 0 0 14 70,-0.4 3,-2.0 1,-0.2 4,-0.5 -0.744 66.5-178.0-124.0 84.9 82.1 -10.1 -21.2 94 15 B R T >> S+ 0 0 196 -3,-0.5 3,-1.7 -2,-0.5 4,-0.8 0.834 78.7 68.1 -47.4 -42.8 79.9 -7.3 -20.1 95 16 B P H 3> S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.794 87.1 69.2 -51.0 -29.9 81.8 -6.8 -16.8 96 17 B V H <> S+ 0 0 2 -3,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.883 92.9 58.2 -56.9 -39.7 84.8 -5.6 -18.9 97 18 B I H <4 S+ 0 0 87 -3,-1.7 4,-0.3 -4,-0.5 3,-0.3 0.957 110.1 41.2 -55.0 -54.1 82.8 -2.4 -19.7 98 19 B G H >< S+ 0 0 59 -4,-0.8 3,-0.8 1,-0.2 -1,-0.2 0.848 113.5 53.6 -64.4 -35.9 82.3 -1.5 -16.1 99 20 B L H 3< S+ 0 0 32 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 111.7 45.4 -69.0 -30.1 85.9 -2.4 -15.2 100 21 B T T >< S+ 0 0 9 -4,-2.1 3,-1.6 -3,-0.3 -1,-0.2 0.344 80.6 122.7 -97.6 7.1 87.3 -0.2 -17.9 101 22 B R T < S+ 0 0 69 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.0 -0.473 75.8 27.2 -67.6 136.2 85.1 2.8 -17.2 102 23 B G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.500 94.4 122.3 90.8 1.6 87.4 5.8 -16.5 103 24 B L < - 0 0 19 -3,-1.6 -1,-0.3 -49,-0.0 -49,-0.1 -0.770 62.4-121.9 -99.1 145.0 90.3 4.5 -18.5 104 25 B S > - 0 0 62 -2,-0.3 4,-1.9 -51,-0.2 3,-0.4 -0.399 31.3-106.8 -76.3 161.3 91.8 6.4 -21.4 105 26 B S H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.817 121.2 62.0 -57.9 -28.3 91.8 4.7 -24.9 106 27 B A H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 103.8 44.0 -64.3 -47.6 95.6 4.3 -24.2 107 28 B D H > S+ 0 0 39 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.866 113.6 52.5 -67.4 -33.4 95.1 2.1 -21.1 108 29 B I H X S+ 0 0 19 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.853 107.3 51.7 -70.0 -33.7 92.5 0.1 -22.9 109 30 B E H X S+ 0 0 82 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.887 107.5 53.6 -68.5 -37.6 94.9 -0.4 -25.9 110 31 B T H X S+ 0 0 63 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.936 111.0 45.2 -60.0 -47.3 97.5 -1.7 -23.4 111 32 B L H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.886 113.7 50.3 -62.6 -41.0 95.0 -4.2 -22.0 112 33 B T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 110.3 47.9 -66.3 -45.2 93.9 -5.2 -25.5 113 34 B A H X S+ 0 0 12 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.907 111.0 52.5 -63.0 -41.4 97.5 -5.8 -26.7 114 35 B N H X S+ 0 0 50 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.915 109.6 49.5 -58.9 -43.3 98.2 -7.8 -23.6 115 36 B A H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 109.9 49.9 -66.1 -38.9 95.1 -10.0 -24.3 116 37 B I H X S+ 0 0 35 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.912 111.0 49.5 -66.8 -42.0 96.1 -10.6 -27.9 117 38 B R H X S+ 0 0 109 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.914 111.2 49.8 -63.1 -41.8 99.6 -11.6 -26.8 118 39 B L H X S+ 0 0 68 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.887 105.5 57.1 -65.1 -38.0 98.1 -14.0 -24.2 119 40 B H H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.905 105.6 50.1 -60.2 -41.1 95.8 -15.6 -26.7 120 41 B R H X S+ 0 0 132 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.901 111.5 49.2 -63.9 -40.3 98.7 -16.5 -29.0 121 42 B Q H X S+ 0 0 125 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.915 112.1 47.0 -64.9 -43.7 100.5 -18.1 -26.0 122 43 B L H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.855 111.8 51.7 -67.0 -35.0 97.5 -20.1 -24.9 123 44 B L H X S+ 0 0 84 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.903 112.3 44.7 -68.2 -41.9 96.9 -21.3 -28.5 124 45 B E H X S+ 0 0 112 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.835 110.5 55.1 -73.5 -29.4 100.5 -22.5 -28.9 125 46 B K H X S+ 0 0 109 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.911 110.5 45.2 -68.6 -41.2 100.4 -24.1 -25.5 126 47 B A H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.891 110.8 54.4 -68.7 -37.8 97.3 -26.1 -26.4 127 48 B D H X S+ 0 0 88 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.896 106.4 51.6 -61.5 -41.5 98.8 -27.0 -29.8 128 49 B Q H X S+ 0 0 127 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.888 110.5 48.9 -62.3 -39.9 102.0 -28.4 -28.1 129 50 B L H >< S+ 0 0 33 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.883 107.9 54.3 -66.5 -40.7 99.8 -30.6 -25.9 130 51 B F H >< S+ 0 0 73 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.872 98.9 64.6 -61.3 -38.5 97.8 -31.8 -28.9 131 52 B Q H 3< S+ 0 0 97 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 106.7 39.9 -55.5 -37.8 101.0 -32.9 -30.6 132 53 B V T << S+ 0 0 101 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.188 85.8 124.6-101.2 18.1 101.9 -35.6 -28.0 133 54 B L S < S- 0 0 8 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.458 72.5 -93.0 -74.2 150.1 98.3 -36.9 -27.4 134 55 B P >> - 0 0 44 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.279 32.4-115.9 -63.7 149.9 97.8 -40.6 -27.9 135 56 B D H 3> S+ 0 0 114 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.830 112.5 59.0 -55.3 -40.3 96.7 -41.8 -31.4 136 57 B D H 3>>S+ 0 0 71 1,-0.2 5,-2.4 2,-0.2 6,-1.9 0.859 109.5 46.2 -60.8 -32.8 93.4 -43.1 -30.2 137 58 B I H <45S+ 0 0 23 -3,-0.8 -2,-0.2 3,-0.2 -1,-0.2 0.890 111.6 49.7 -76.6 -39.6 92.5 -39.7 -29.0 138 59 B K H <5S+ 0 0 87 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.861 112.1 48.2 -66.9 -35.8 93.7 -37.9 -32.1 139 60 B I H <5S- 0 0 100 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.715 113.5-120.4 -77.0 -20.7 91.7 -40.3 -34.4 140 61 B G T <5S+ 0 0 61 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.772 83.2 112.4 87.3 26.8 88.6 -39.7 -32.2 141 62 B T S S- 0 0 39 1,-0.1 4,-2.1 -2,-0.1 -1,-0.2 -0.112 74.5 -81.7 104.6 154.5 92.2 -39.9 -19.5 146 67 B E H > S+ 0 0 177 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.857 127.0 48.8 -60.8 -40.1 94.4 -37.5 -17.6 147 68 B Q H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 112.2 48.7 -67.7 -42.5 96.4 -36.4 -20.6 148 69 B H H > S+ 0 0 22 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.869 111.0 51.1 -64.8 -36.6 93.3 -35.8 -22.7 149 70 B L H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.874 106.3 53.9 -68.4 -38.6 91.7 -33.8 -19.8 150 71 B E H X S+ 0 0 107 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.877 110.3 48.0 -62.8 -37.6 94.8 -31.6 -19.5 151 72 B Y H X S+ 0 0 35 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.916 110.5 50.9 -67.7 -45.2 94.5 -30.8 -23.2 152 73 B I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.898 108.4 52.1 -60.1 -42.4 90.8 -30.0 -22.8 153 74 B E H X S+ 0 0 69 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.851 108.0 52.6 -64.5 -31.0 91.5 -27.7 -19.9 154 75 B A H X S+ 0 0 10 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.904 111.7 44.9 -70.5 -40.4 94.1 -25.9 -22.1 155 76 B M H X S+ 0 0 30 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.864 111.8 52.7 -70.0 -37.7 91.6 -25.4 -24.9 156 77 B I H X S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.946 109.9 48.2 -63.0 -46.6 88.9 -24.3 -22.4 157 78 B E H X S+ 0 0 86 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.925 112.5 50.0 -58.9 -43.0 91.2 -21.7 -21.0 158 79 B M H X S+ 0 0 13 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.924 112.6 45.4 -62.3 -46.7 92.1 -20.6 -24.5 159 80 B H H X S+ 0 0 43 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.906 112.5 51.2 -64.6 -42.1 88.4 -20.2 -25.5 160 81 B A H >X S+ 0 0 6 -4,-2.8 3,-0.7 1,-0.2 4,-0.7 0.923 109.4 50.0 -61.9 -43.8 87.5 -18.4 -22.3 161 82 B Q H >X S+ 0 0 21 -4,-2.4 4,-1.5 1,-0.2 3,-0.5 0.783 99.2 67.0 -67.1 -26.3 90.3 -15.9 -22.7 162 83 B M H 3X S+ 0 0 47 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.844 92.6 60.3 -62.8 -33.9 89.2 -15.2 -26.4 163 84 B S H > S- 0 0 14 70,-0.7 3,-1.8 1,-0.2 4,-0.5 -0.687 73.9-173.5 -90.8 83.6 60.9 -41.6 94.0 184 15 C R H >> S+ 0 0 157 -2,-1.4 3,-1.4 1,-0.3 4,-0.8 0.811 76.1 62.5 -47.6 -42.3 62.7 -40.2 97.0 185 16 C P H 3> S+ 0 0 56 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.805 91.2 68.2 -58.8 -26.8 64.4 -43.5 98.0 186 17 C V H <> S+ 0 0 0 -3,-1.8 4,-1.5 1,-0.2 5,-0.2 0.823 91.8 60.7 -61.8 -31.1 66.3 -43.6 94.7 187 18 C I H < S+ 0 0 7 -4,-1.5 3,-3.0 -3,-0.1 -1,-0.2 0.560 81.3 126.4 -97.2 -10.6 72.5 -44.0 94.1 191 22 C R T 3< S+ 0 0 194 -4,-0.8 3,-0.1 1,-0.3 -3,-0.0 -0.290 78.8 24.0 -51.2 112.5 74.4 -41.7 96.5 192 23 C G T 3 S+ 0 0 64 1,-0.4 -1,-0.3 -2,-0.1 131,-0.2 0.310 93.3 124.8 111.1 -7.8 78.0 -42.5 95.8 193 24 C L < - 0 0 20 -3,-3.0 -1,-0.4 1,-0.1 2,-0.2 -0.484 62.1-112.4 -83.4 157.0 77.7 -43.8 92.3 194 25 C S >> - 0 0 62 -2,-0.1 4,-2.5 129,-0.1 3,-0.8 -0.570 28.1-110.4 -86.5 152.4 79.6 -42.3 89.3 195 26 C S H 3> S+ 0 0 91 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.833 119.1 59.7 -48.7 -35.7 77.8 -40.4 86.6 196 27 C A H 3> S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.914 107.8 41.7 -61.5 -46.4 78.6 -43.3 84.3 197 28 C D H <> S+ 0 0 36 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.905 113.3 53.8 -69.3 -40.3 76.8 -45.8 86.5 198 29 C I H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.906 108.2 50.0 -59.7 -41.5 73.9 -43.4 87.0 199 30 C E H X S+ 0 0 77 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.861 107.1 55.4 -65.4 -35.0 73.6 -43.0 83.3 200 31 C T H X S+ 0 0 60 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.933 110.2 45.0 -61.5 -46.5 73.5 -46.8 82.9 201 32 C L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 114.3 49.1 -62.6 -45.4 70.6 -47.0 85.3 202 33 C T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.884 111.3 49.8 -62.2 -40.2 68.8 -44.1 83.6 203 34 C A H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.915 111.3 47.5 -66.2 -45.5 69.3 -45.7 80.1 204 35 C N H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.909 111.1 53.4 -61.4 -41.4 68.0 -49.0 81.3 205 36 C A H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.882 107.9 49.4 -61.2 -41.1 65.0 -47.2 82.8 206 37 C I H X S+ 0 0 16 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.915 111.8 48.4 -66.9 -41.3 64.2 -45.4 79.6 207 38 C R H X S+ 0 0 90 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.892 111.6 50.4 -65.0 -38.8 64.4 -48.7 77.6 208 39 C L H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.925 107.1 54.5 -64.7 -42.6 62.1 -50.3 80.2 209 40 C H H X S+ 0 0 40 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.892 107.5 50.6 -57.0 -41.7 59.6 -47.5 80.0 210 41 C R H X S+ 0 0 111 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.884 109.9 48.7 -65.5 -40.6 59.4 -48.0 76.2 211 42 C Q H X S+ 0 0 127 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.872 110.7 51.2 -67.8 -36.8 58.7 -51.7 76.5 212 43 C L H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.856 110.1 49.6 -69.4 -34.3 56.0 -51.1 79.2 213 44 C L H X S+ 0 0 67 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.949 112.3 46.9 -67.6 -48.5 54.3 -48.6 76.9 214 45 C E H X S+ 0 0 97 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.886 111.6 52.3 -59.4 -41.2 54.4 -50.9 73.9 215 46 C K H X S+ 0 0 85 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.948 108.5 49.1 -60.9 -49.7 53.1 -53.8 76.1 216 47 C A H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.827 109.7 54.8 -59.6 -32.3 50.2 -51.7 77.4 217 48 C D H X S+ 0 0 80 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.922 106.2 49.2 -66.9 -46.6 49.4 -50.8 73.7 218 49 C Q H X S+ 0 0 102 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.915 112.7 48.4 -59.8 -44.4 49.2 -54.4 72.6 219 50 C L H X S+ 0 0 25 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.883 108.5 54.1 -63.9 -40.3 46.9 -55.3 75.5 220 51 C F H < S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 102.1 58.2 -64.4 -34.7 44.6 -52.3 74.8 221 52 C Q H < S+ 0 0 113 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.932 105.1 49.7 -61.3 -47.1 44.1 -53.3 71.1 222 53 C V H < S+ 0 0 100 -4,-1.3 -1,-0.2 15,-0.0 -2,-0.2 0.779 86.8 111.9 -63.6 -29.4 42.7 -56.6 72.1 223 54 C L S < S- 0 0 5 -4,-1.1 2,-0.1 1,-0.1 -3,-0.0 -0.070 80.1 -99.6 -48.1 143.1 40.2 -55.1 74.6 224 55 C P >> - 0 0 56 0, 0.0 4,-2.4 0, 0.0 3,-1.6 -0.382 25.9-119.4 -66.3 144.4 36.5 -55.3 73.6 225 56 C D H 3> S+ 0 0 116 1,-0.3 4,-2.8 2,-0.2 6,-0.3 0.825 115.4 64.9 -52.5 -32.3 35.1 -52.1 72.1 226 57 C D H 3>>S+ 0 0 83 1,-0.2 6,-2.0 2,-0.2 5,-1.5 0.870 109.4 37.4 -59.0 -37.8 32.7 -52.2 75.0 227 58 C I H <45S+ 0 0 28 -3,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.896 114.3 53.4 -81.2 -44.6 35.7 -51.6 77.3 228 59 C K H <5S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.912 112.7 45.3 -56.8 -45.3 37.6 -49.2 75.0 229 60 C I H <5S- 0 0 140 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.833 113.4-118.5 -68.7 -34.4 34.6 -47.0 74.7 230 61 C G T <5S+ 0 0 60 -4,-0.9 -3,-0.2 -5,-0.3 3,-0.1 0.571 79.1 122.7 104.0 13.0 33.8 -47.0 78.4 231 62 C T S S- 0 0 42 2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.115 75.0 -82.5 104.9 155.5 36.8 -58.5 83.8 236 67 C E H > S+ 0 0 181 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.919 127.1 49.0 -59.4 -47.2 40.0 -60.4 83.8 237 68 C Q H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.877 112.3 47.6 -62.3 -40.2 41.2 -58.9 80.5 238 69 C H H > S+ 0 0 20 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.911 110.7 51.7 -68.9 -41.2 40.4 -55.3 81.5 239 70 C L H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.886 106.8 54.1 -62.6 -38.5 42.1 -55.7 84.9 240 71 C E H X S+ 0 0 100 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.901 108.9 48.4 -61.8 -41.9 45.3 -57.0 83.2 241 72 C Y H X S+ 0 0 34 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.917 110.2 52.0 -63.3 -43.5 45.4 -53.9 81.0 242 73 C I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.882 109.1 50.0 -60.7 -39.9 44.9 -51.7 84.0 243 74 C E H X S+ 0 0 73 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 108.0 52.6 -68.0 -38.4 47.8 -53.4 85.8 244 75 C A H X S+ 0 0 11 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.902 113.0 45.9 -62.2 -39.8 50.1 -53.0 82.7 245 76 C M H X S+ 0 0 27 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.896 110.8 50.5 -69.3 -43.6 49.2 -49.2 82.8 246 77 C I H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.908 112.1 49.0 -61.9 -40.6 49.7 -48.8 86.6 247 78 C E H X S+ 0 0 99 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.916 110.2 51.8 -65.0 -41.2 53.1 -50.5 86.2 248 79 C M H X S+ 0 0 10 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.953 113.5 43.3 -60.3 -49.7 53.9 -48.2 83.3 249 80 C H H X S+ 0 0 40 -4,-2.9 4,-0.9 2,-0.2 3,-0.3 0.909 113.2 51.3 -62.9 -44.5 53.0 -45.1 85.3 250 81 C A H >X S+ 0 0 5 -4,-2.7 3,-1.0 1,-0.2 4,-0.6 0.930 108.9 51.2 -59.6 -45.3 54.8 -46.3 88.5 251 82 C Q H >X S+ 0 0 18 -4,-2.5 4,-1.9 1,-0.2 3,-0.7 0.773 99.4 65.5 -65.6 -24.4 58.0 -47.0 86.5 252 83 C M H 3X S+ 0 0 57 -4,-1.2 4,-2.8 -3,-0.3 -1,-0.2 0.810 92.8 61.0 -67.7 -28.2 57.9 -43.5 85.0 253 84 C S H - 0 0 12 70,-0.4 3,-2.3 1,-0.2 4,-0.4 -0.688 67.7-179.3-118.3 77.8 49.9 -42.4 91.5 274 15 D R T >> S+ 0 0 64 -2,-0.5 3,-1.5 -3,-0.3 4,-0.9 0.796 75.9 66.8 -44.0 -42.2 47.1 -40.1 90.3 275 16 D P H 3> S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.806 87.1 70.5 -54.1 -29.3 46.6 -42.0 87.0 276 17 D V H <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.854 92.5 57.5 -56.4 -37.1 45.3 -45.0 89.0 277 18 D I H <4 S+ 0 0 88 -3,-1.5 4,-0.3 -4,-0.4 3,-0.2 0.961 109.1 44.1 -58.7 -51.8 42.2 -43.0 89.8 278 19 D G H >< S+ 0 0 58 -4,-0.9 3,-1.1 1,-0.2 -2,-0.2 0.905 112.8 51.4 -60.4 -43.7 41.4 -42.6 86.2 279 20 D L H 3< S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 112.7 46.1 -64.7 -30.4 42.2 -46.2 85.3 280 21 D T T >< S+ 0 0 9 -4,-2.0 3,-1.5 -3,-0.2 -1,-0.2 0.282 79.1 122.3 -99.0 11.3 40.0 -47.5 88.0 281 22 D R T < S+ 0 0 71 -3,-1.1 3,-0.1 -4,-0.3 -3,-0.0 -0.513 76.7 27.0 -70.6 139.1 36.9 -45.3 87.4 282 23 D G T 3 S+ 0 0 70 1,-0.3 2,-0.4 -2,-0.2 -49,-0.3 0.538 93.4 124.8 87.1 4.1 33.9 -47.6 86.7 283 24 D L < - 0 0 19 -3,-1.5 -1,-0.3 -49,-0.0 -49,-0.0 -0.790 61.8-120.9 -99.6 142.6 35.2 -50.5 88.7 284 25 D S >> - 0 0 64 -2,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.357 31.7-107.5 -72.1 160.4 33.3 -52.1 91.5 285 26 D S H 3> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.806 121.2 61.5 -58.7 -27.5 34.9 -52.1 95.0 286 27 D A H 3> S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 102.9 46.0 -66.8 -42.4 35.4 -55.8 94.4 287 28 D D H <> S+ 0 0 38 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.870 112.3 52.4 -69.9 -33.8 37.6 -55.3 91.3 288 29 D I H X S+ 0 0 20 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.846 106.9 52.0 -69.4 -33.6 39.6 -52.7 93.1 289 30 D E H X S+ 0 0 80 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.872 107.2 53.9 -69.0 -35.6 40.2 -55.1 96.0 290 31 D T H X S+ 0 0 62 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.940 110.4 45.6 -62.0 -47.6 41.5 -57.7 93.5 291 32 D L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 113.9 50.2 -61.0 -43.5 44.0 -55.2 92.1 292 33 D T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 110.6 47.4 -63.3 -45.9 45.0 -54.1 95.6 293 34 D A H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.903 111.6 52.0 -62.9 -41.4 45.6 -57.7 96.8 294 35 D N H X S+ 0 0 51 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.927 110.5 48.9 -59.6 -44.0 47.6 -58.4 93.7 295 36 D A H X S+ 0 0 10 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.869 109.8 50.6 -66.3 -36.6 49.7 -55.3 94.4 296 37 D I H X S+ 0 0 33 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.914 110.9 48.8 -68.1 -41.7 50.3 -56.3 98.0 297 38 D R H X S+ 0 0 117 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.891 110.7 51.6 -64.4 -38.4 51.4 -59.8 97.0 298 39 D L H X S+ 0 0 65 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.895 104.6 56.6 -66.1 -38.9 53.7 -58.3 94.3 299 40 D H H X S+ 0 0 46 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.895 106.1 49.5 -60.1 -41.1 55.4 -56.0 96.9 300 41 D R H X S+ 0 0 139 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.904 112.2 49.4 -64.1 -40.8 56.3 -59.0 99.1 301 42 D Q H X S+ 0 0 125 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.930 112.6 45.9 -63.8 -46.7 57.8 -60.8 96.1 302 43 D L H X S+ 0 0 14 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.860 112.5 51.6 -66.1 -34.7 59.8 -57.7 95.0 303 44 D L H X S+ 0 0 75 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.873 111.6 46.8 -69.3 -37.3 61.0 -57.1 98.6 304 45 D E H X S+ 0 0 74 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.912 109.5 54.0 -69.5 -43.8 62.2 -60.8 98.9 305 46 D K H X S+ 0 0 99 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.898 111.1 45.4 -56.8 -44.8 63.9 -60.6 95.5 306 47 D A H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.922 110.3 53.4 -66.9 -44.3 65.9 -57.6 96.6 307 48 D D H X S+ 0 0 81 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.892 107.8 52.5 -56.2 -41.7 66.8 -59.1 100.0 308 49 D Q H X S+ 0 0 118 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.896 109.8 47.1 -61.7 -42.8 68.1 -62.2 98.2 309 50 D L H < S+ 0 0 24 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.866 109.0 55.8 -68.2 -36.0 70.4 -60.1 96.0 310 51 D F H >< S+ 0 0 74 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.894 97.6 64.1 -62.2 -41.3 71.6 -58.1 99.0 311 52 D Q H 3< S+ 0 0 96 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.0 40.4 -53.4 -36.9 72.7 -61.3 100.8 312 53 D V T 3< S+ 0 0 98 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.108 86.3 124.1-103.8 22.6 75.3 -62.1 98.2 313 54 D L S < S- 0 0 9 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.454 72.5 -88.4 -78.6 155.7 76.7 -58.6 97.6 314 55 D P > - 0 0 44 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.254 33.2-119.2 -62.2 151.7 80.4 -57.9 98.1 315 56 D D H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 6,-0.2 0.860 112.2 57.4 -60.7 -38.9 81.6 -56.9 101.5 316 57 D D H 4>S+ 0 0 69 1,-0.2 5,-2.4 2,-0.2 6,-2.1 0.852 109.1 47.2 -62.7 -32.5 82.9 -53.6 100.4 317 58 D I H >45S+ 0 0 24 -3,-0.4 3,-0.6 3,-0.2 -1,-0.2 0.883 111.3 50.6 -75.7 -37.5 79.4 -52.8 99.1 318 59 D K H 3<5S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 111.7 46.4 -68.8 -35.8 77.7 -53.9 102.2 319 60 D I T 3<5S- 0 0 101 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.493 113.5-118.3 -85.1 -2.7 79.9 -51.8 104.5 320 61 D G T < 5S+ 0 0 63 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.805 83.5 115.3 73.3 29.1 79.5 -48.8 102.3 321 62 D T S S- 0 0 25 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.090 74.7 -75.1 104.9 154.3 79.7 -52.3 89.6 326 67 D E H > S+ 0 0 167 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.910 127.6 44.6 -49.0 -57.1 77.5 -54.7 87.7 327 68 D Q H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 113.6 49.8 -58.7 -46.0 76.2 -56.7 90.7 328 69 D H H > S+ 0 0 23 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.888 109.5 52.5 -62.1 -39.0 75.6 -53.6 92.8 329 70 D L H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.867 105.6 54.0 -65.4 -36.8 73.6 -52.0 90.0 330 71 D E H X S+ 0 0 97 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.872 109.9 47.8 -64.8 -37.4 71.4 -55.1 89.6 331 72 D Y H X S+ 0 0 35 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.923 109.8 52.7 -67.3 -45.8 70.5 -54.8 93.3 332 73 D I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.889 108.3 50.6 -57.3 -42.1 69.8 -51.1 93.0 333 74 D E H X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.845 107.6 53.6 -67.4 -31.4 67.4 -51.8 90.1 334 75 D A H X S+ 0 0 11 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.917 112.3 44.3 -68.5 -40.6 65.6 -54.4 92.2 335 76 D M H X S+ 0 0 28 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.881 111.5 52.8 -69.6 -40.1 65.2 -51.8 95.0 336 77 D I H X S+ 0 0 11 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.950 110.0 48.2 -60.9 -46.7 64.1 -49.1 92.6 337 78 D E H X S+ 0 0 102 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.923 112.2 51.2 -58.3 -42.8 61.5 -51.5 91.1 338 79 D M H X S+ 0 0 13 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.929 112.2 44.0 -61.4 -49.2 60.3 -52.3 94.7 339 80 D H H X S+ 0 0 46 -4,-3.0 4,-0.9 1,-0.2 3,-0.2 0.904 113.1 52.2 -64.0 -41.2 60.0 -48.6 95.8 340 81 D A H >X S+ 0 0 6 -4,-2.8 3,-0.7 -5,-0.2 4,-0.6 0.917 109.0 49.4 -62.0 -43.4 58.2 -47.7 92.5 341 82 D Q H >X S+ 0 0 22 -4,-2.4 4,-1.6 1,-0.2 3,-0.5 0.763 99.1 68.1 -69.0 -23.7 55.7 -50.5 92.9 342 83 D M H 3X S+ 0 0 49 -4,-1.2 4,-3.0 1,-0.2 5,-0.2 0.836 91.8 60.4 -63.9 -33.0 55.0 -49.4 96.5 343 84 D S H