==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 15-NOV-10 3PM1 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.A.SCHUMACHER . 371 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 81.9 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 . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 0 1 3 0 1 1 0 0 2 1 0 1 3 1 0 1 0 1 0 0 0 2 0 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 1 B M >>> 0 0 127 0, 0.0 3,-2.4 0, 0.0 4,-1.9 0.000 360.0 360.0 360.0 141.9 45.7 -17.4 -31.4 2 2 B N T 345 + 0 0 137 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.422 360.0 51.4 -70.8 5.0 46.0 -20.8 -29.7 3 3 B L T 345S+ 0 0 32 3,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.286 110.7 47.1-119.4 -0.4 48.9 -19.1 -28.0 4 4 B K T X>5S+ 0 0 76 -3,-2.4 4,-1.8 2,-0.1 3,-0.8 0.817 118.3 34.0-103.8 -62.8 46.7 -16.1 -26.9 5 5 B D H 3X5S+ 0 0 113 -4,-1.9 4,-1.5 1,-0.3 5,-0.2 0.651 113.5 68.1 -65.9 -15.5 43.5 -17.6 -25.4 6 6 B K H 3> S+ 0 0 2 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.804 111.5 62.1 -84.0 -29.4 47.6 -18.0 -21.8 8 8 B L H X S+ 0 0 17 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.896 106.1 44.6 -62.6 -42.4 44.4 -16.2 -20.9 9 9 B G H X S+ 0 0 37 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.901 112.1 50.7 -69.8 -42.1 42.7 -19.2 -19.5 10 10 B V H X S+ 0 0 34 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.883 112.2 48.4 -62.8 -39.2 45.8 -20.4 -17.6 11 11 B A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.920 108.2 56.0 -67.2 -42.7 46.1 -16.9 -16.0 12 12 B K H X S+ 0 0 31 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.962 110.9 40.8 -53.2 -59.9 42.4 -16.9 -15.1 13 13 B E H X S+ 0 0 112 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.871 115.1 51.7 -59.2 -41.4 42.4 -20.1 -13.1 14 14 B L H X>S+ 0 0 18 -4,-1.8 4,-3.4 1,-0.2 5,-0.6 0.959 109.7 48.4 -61.8 -50.6 45.7 -19.3 -11.4 15 15 B F H X5S+ 0 0 2 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.846 113.8 50.3 -58.4 -30.8 44.6 -15.9 -10.3 16 16 B I H <5S+ 0 0 26 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.878 119.1 34.4 -74.6 -38.0 41.4 -17.6 -9.1 17 17 B K H <5S+ 0 0 123 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.876 135.1 19.3 -86.0 -41.0 43.2 -20.3 -7.1 18 18 B N H X5S- 0 0 32 -4,-3.4 4,-0.6 1,-0.3 -3,-0.2 0.375 100.4-128.4-112.5 2.2 46.4 -18.5 -5.8 19 19 B G T << - 0 0 0 -4,-0.8 -1,-0.3 -5,-0.6 4,-0.3 -0.416 42.4 -57.3 84.6-162.5 45.4 -14.9 -6.1 20 20 B Y T 4 S+ 0 0 4 77,-0.1 3,-0.5 2,-0.1 -1,-0.1 0.966 126.8 41.2 -85.3 -63.1 47.4 -12.2 -7.9 21 21 B N T 4 S+ 0 0 39 1,-0.2 -2,-0.1 77,-0.1 -1,-0.1 0.909 112.8 52.8 -52.9 -53.1 50.8 -12.1 -6.2 22 22 B A S < S+ 0 0 38 -4,-0.6 2,-1.0 1,-0.1 -1,-0.2 0.844 93.2 83.6 -55.5 -34.2 51.3 -15.8 -5.9 23 23 B T S S- 0 0 0 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.1 -0.610 71.4-164.3 -77.2 103.9 50.6 -16.2 -9.6 24 24 B T > - 0 0 70 -2,-1.0 4,-1.7 1,-0.1 3,-0.2 -0.631 28.9-126.8 -90.0 148.1 53.9 -15.5 -11.3 25 25 B T H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.817 109.2 63.7 -59.7 -31.3 54.2 -14.7 -15.0 26 26 B G H > S+ 0 0 40 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.951 102.8 43.5 -58.5 -54.9 56.7 -17.5 -15.1 27 27 B E H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.868 112.2 54.2 -60.8 -38.3 54.3 -20.3 -14.2 28 28 B I H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.959 109.3 47.4 -60.0 -48.2 51.7 -18.9 -16.5 29 29 B V H <>S+ 0 0 21 -4,-2.5 5,-2.0 2,-0.2 -1,-0.2 0.760 114.5 52.4 -61.0 -26.8 54.3 -19.1 -19.3 30 30 B K H ><5S+ 0 0 160 -4,-1.4 3,-1.9 3,-0.2 -2,-0.2 0.990 111.4 37.8 -72.5 -71.0 55.0 -22.6 -18.1 31 31 B L H 3<5S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.584 116.3 56.6 -61.8 -10.7 51.6 -24.3 -18.0 32 32 B S T 3<5S- 0 0 2 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.114 103.3-129.1-108.9 21.4 50.7 -22.5 -21.2 33 33 B E T < 5 + 0 0 163 -3,-1.9 2,-0.2 1,-0.1 -3,-0.2 0.830 68.0 112.6 30.6 63.3 53.6 -23.8 -23.2 34 34 B S < - 0 0 26 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.1 -0.809 63.5-100.4-143.7-176.2 54.6 -20.3 -24.4 35 35 B S >> - 0 0 55 -2,-0.2 4,-1.9 -3,-0.1 3,-0.7 -0.772 26.8-115.5-115.0 160.2 57.5 -17.8 -24.1 36 36 B K H 3> S+ 0 0 108 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.726 118.9 60.3 -60.6 -20.0 57.9 -14.7 -22.0 37 37 B G H 3> S+ 0 0 38 2,-0.2 4,-2.9 3,-0.2 -1,-0.3 0.835 101.8 48.9 -77.2 -35.8 58.1 -13.0 -25.4 38 38 B N H <> S+ 0 0 45 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.972 111.4 48.3 -66.7 -53.6 54.6 -14.1 -26.4 39 39 B L H X>S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.6 0.904 115.8 47.6 -51.1 -43.8 53.0 -13.0 -23.1 40 40 B Y H X5S+ 0 0 136 -4,-1.5 4,-2.2 3,-0.2 -1,-0.2 0.932 111.1 48.2 -62.9 -51.1 54.9 -9.7 -23.7 41 41 B Y H <5S+ 0 0 160 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 122.6 35.0 -61.5 -30.8 53.9 -9.3 -27.4 42 42 B H H <5S+ 0 0 40 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.775 140.4 9.7 -95.8 -31.0 50.2 -9.9 -26.5 43 43 B F H <5S- 0 0 1 -4,-2.9 2,-2.8 -5,-0.3 -3,-0.2 0.504 75.0-153.6-128.4 -8.2 49.9 -8.3 -23.0 44 44 B K S < S- 0 0 63 -2,-2.8 4,-1.9 1,-0.1 5,-0.1 -0.838 78.1-116.0-126.3 162.9 52.9 -6.6 -18.6 46 46 B K H > S+ 0 0 39 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.881 117.1 51.5 -62.0 -41.6 51.4 -8.9 -16.0 47 47 B E H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.836 108.5 52.7 -66.2 -30.9 49.1 -6.1 -14.8 48 48 B N H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 106.6 52.2 -70.3 -39.5 48.0 -5.5 -18.3 49 49 B L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.906 108.9 51.5 -60.7 -43.4 47.1 -9.2 -18.8 50 50 B F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.871 108.3 49.7 -64.1 -40.6 45.0 -9.0 -15.6 51 51 B L H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.854 108.7 53.3 -68.7 -32.9 43.0 -6.0 -16.7 52 52 B E H X S+ 0 0 57 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.936 109.0 49.2 -66.8 -43.1 42.3 -7.6 -20.0 53 53 B I H X S+ 0 0 6 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.922 111.0 49.5 -59.6 -45.2 40.9 -10.7 -18.2 54 54 B L H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.851 108.4 54.9 -63.2 -32.8 38.8 -8.4 -16.0 55 55 B N H X S+ 0 0 87 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.930 113.0 41.0 -64.3 -47.6 37.6 -6.7 -19.2 56 56 B I H >X S+ 0 0 66 -4,-2.4 4,-2.3 2,-0.2 3,-0.7 0.965 112.5 53.6 -66.6 -51.8 36.5 -10.0 -20.7 57 57 B E H 3X S+ 0 0 8 -4,-3.4 4,-2.1 1,-0.3 5,-0.2 0.882 107.5 53.6 -50.4 -40.9 35.0 -11.3 -17.4 58 58 B E H 3X S+ 0 0 3 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.3 0.881 110.0 46.6 -63.0 -38.4 32.9 -8.2 -17.2 59 59 B S H X S+ 0 0 17 -4,-2.4 4,-2.4 -5,-0.3 3,-0.8 0.872 106.0 63.1 -77.3 -35.6 22.7 -11.2 -17.1 66 66 B K H 3< S+ 0 0 157 -4,-1.9 4,-0.2 -5,-0.3 -1,-0.2 0.840 113.8 34.9 -56.1 -31.6 21.4 -9.5 -20.2 67 67 B S T 3< S+ 0 0 76 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.457 117.4 53.1-103.1 -2.0 19.7 -12.8 -21.2 68 68 B E T X4 S+ 0 0 37 -3,-0.8 3,-0.9 -4,-0.4 -2,-0.2 0.707 94.6 65.3-103.6 -27.8 18.9 -14.0 -17.7 69 69 B Q G >< S+ 0 0 51 -4,-2.4 3,-1.7 1,-0.2 -2,-0.1 0.730 87.3 72.5 -68.9 -21.9 17.0 -11.0 -16.4 70 70 B I G 3 S+ 0 0 128 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.855 86.6 64.9 -60.1 -35.1 14.2 -11.6 -19.0 71 71 B K G < S+ 0 0 148 -3,-0.9 2,-0.6 -4,-0.2 -1,-0.3 0.486 91.6 76.1 -66.1 -5.9 13.1 -14.7 -16.9 72 72 B A < - 0 0 6 -3,-1.7 6,-0.1 1,-0.2 -1,-0.1 -0.944 62.2-168.6-115.2 115.5 12.2 -12.3 -14.1 73 73 B K S S+ 0 0 186 -2,-0.6 -1,-0.2 4,-0.1 2,-0.1 0.996 71.4 39.4 -62.7 -71.2 9.0 -10.4 -14.5 74 74 B T S >> S- 0 0 37 1,-0.1 4,-1.5 65,-0.0 3,-0.8 -0.470 81.9-122.9 -83.2 154.0 9.1 -7.8 -11.6 75 75 B N H 3> S+ 0 0 9 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.781 113.1 66.1 -64.6 -27.8 12.4 -6.0 -10.6 76 76 B R H 3> S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.879 106.5 42.7 -60.5 -35.1 11.9 -7.4 -7.1 77 77 B E H <> S+ 0 0 70 -3,-0.8 4,-3.1 2,-0.2 -2,-0.2 0.791 107.2 58.1 -80.5 -30.7 12.5 -10.8 -8.8 78 78 B K H X S+ 0 0 34 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.835 106.0 53.1 -66.9 -28.2 15.3 -9.5 -10.9 79 79 B F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.961 112.2 42.0 -67.5 -54.9 16.9 -8.6 -7.5 80 80 B Y H X S+ 0 0 49 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.949 118.2 47.4 -55.5 -52.1 16.5 -12.1 -6.1 81 81 B L H X S+ 0 0 35 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.855 109.6 52.0 -61.7 -39.8 17.6 -13.7 -9.4 82 82 B Y H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.951 110.1 48.6 -62.6 -49.1 20.6 -11.5 -9.8 83 83 B N H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.866 112.3 48.6 -61.8 -34.3 21.9 -12.3 -6.4 84 84 B E H >X S+ 0 0 67 -4,-1.9 4,-1.3 -5,-0.2 3,-1.1 0.885 108.5 54.0 -72.5 -36.5 21.5 -16.0 -6.9 85 85 B L H 3X S+ 0 0 10 -4,-2.2 4,-3.8 1,-0.3 3,-0.3 0.897 99.7 60.6 -64.0 -40.2 23.2 -15.9 -10.3 86 86 B S H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.693 103.8 53.5 -61.6 -15.9 26.2 -14.2 -8.7 87 87 B L H <4 S+ 0 0 16 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.852 120.0 29.2 -84.8 -37.5 26.5 -17.3 -6.6 88 88 B T H < S+ 0 0 73 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.720 95.3 105.7 -95.9 -25.6 26.5 -19.8 -9.5 89 89 B T < - 0 0 13 -4,-3.8 -28,-0.0 -5,-0.2 -3,-0.0 -0.029 58.1-148.7 -55.8 162.3 28.0 -17.8 -12.3 90 90 B Q S S+ 0 0 119 3,-0.1 2,-0.4 -33,-0.0 -1,-0.1 0.345 70.1 90.5-111.2 3.2 31.5 -18.5 -13.5 91 91 B Y S S- 0 0 43 -31,-0.1 2,-2.3 2,-0.1 -2,-0.1 -0.858 99.1 -28.9-109.8 137.2 32.2 -14.9 -14.5 92 92 B Y S > S+ 0 0 7 -2,-0.4 3,-2.6 1,-0.2 4,-0.3 -0.362 119.2 71.8 69.8 -69.5 33.7 -12.0 -12.4 93 93 B Y G > S+ 0 0 8 -2,-2.3 3,-1.2 1,-0.3 4,-0.3 0.795 90.7 60.3 -48.8 -34.6 32.6 -13.0 -8.9 94 94 B P G 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.631 105.4 51.3 -72.1 -9.0 35.1 -16.0 -8.8 95 95 B L G <> S+ 0 0 0 -3,-2.6 4,-2.7 1,-0.1 3,-0.2 0.327 74.7 107.6-107.3 5.8 37.9 -13.4 -9.2 96 96 B Q H <> S+ 0 0 4 -3,-1.2 4,-3.1 -4,-0.3 5,-0.3 0.892 75.9 54.5 -51.0 -51.0 37.0 -11.0 -6.4 97 97 B N H > S+ 0 0 6 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.920 113.9 41.9 -51.1 -49.2 39.8 -11.9 -4.1 98 98 B A H > S+ 0 0 2 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 111.9 55.8 -65.7 -42.7 42.4 -11.2 -6.8 99 99 B I H X S+ 0 0 3 -4,-2.7 4,-3.7 1,-0.2 -2,-0.2 0.952 111.8 42.2 -56.0 -51.2 40.6 -8.1 -7.9 100 100 B I H X S+ 0 0 8 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.871 112.7 53.8 -64.9 -35.6 40.7 -6.6 -4.4 101 101 B E H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.3 -1,-0.2 0.871 115.9 40.4 -64.9 -33.6 44.3 -7.8 -4.0 102 102 B F H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 112.2 55.0 -80.0 -43.7 45.1 -6.0 -7.2 103 103 B Y H < S+ 0 0 25 -4,-3.7 4,-0.3 -5,-0.2 -2,-0.2 0.937 107.0 49.7 -56.8 -50.2 43.0 -2.9 -6.5 104 104 B T H >< S+ 0 0 38 -4,-2.3 3,-0.6 2,-0.2 4,-0.3 0.884 113.7 47.0 -58.0 -41.1 44.6 -2.1 -3.2 105 105 B E H >< S+ 0 0 72 -4,-0.9 3,-0.6 -5,-0.2 4,-0.2 0.980 122.5 29.1 -66.3 -59.8 48.1 -2.4 -4.7 106 106 B Y T 3< S+ 0 0 62 -4,-2.2 7,-0.2 1,-0.2 -1,-0.2 0.012 86.4 107.4 -93.2 30.1 47.8 -0.3 -7.8 107 107 B Y T < S+ 0 0 121 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.821 77.1 56.8 -75.4 -27.2 45.1 2.0 -6.5 108 108 B K S < S+ 0 0 160 -3,-0.6 2,-0.6 -4,-0.3 -1,-0.2 0.983 89.3 77.1 -64.7 -56.8 47.7 4.8 -6.3 109 109 B T S > S- 0 0 54 -4,-0.2 4,-1.5 1,-0.2 3,-0.3 -0.400 70.3-163.6 -57.8 105.8 48.7 4.6 -10.0 110 110 B N H > S+ 0 0 128 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.660 74.9 79.1 -68.9 -18.6 45.6 6.4 -11.5 111 111 B S H > S+ 0 0 93 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.971 111.9 18.2 -53.8 -59.5 46.4 5.0 -15.0 112 112 B I H > S+ 0 0 25 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.702 117.1 69.5 -86.6 -23.1 44.9 1.5 -14.3 113 113 B N H X S+ 0 0 23 -4,-1.5 4,-1.9 1,-0.2 3,-0.3 0.942 98.4 51.7 -59.3 -46.0 42.9 2.7 -11.2 114 114 B E H X S+ 0 0 105 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.910 106.5 55.5 -55.2 -43.4 40.6 4.7 -13.6 115 115 B K H X S+ 0 0 116 -4,-0.7 4,-1.5 -5,-0.2 -1,-0.2 0.876 107.5 48.2 -59.2 -39.3 40.2 1.5 -15.6 116 116 B M H X S+ 0 0 6 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.831 106.1 55.6 -73.6 -31.1 39.0 -0.4 -12.6 117 117 B N H X S+ 0 0 44 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.864 106.4 53.3 -66.7 -34.6 36.5 2.2 -11.6 118 118 B K H X S+ 0 0 110 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.920 112.2 43.2 -64.7 -43.1 35.0 1.9 -15.1 119 119 B L H X S+ 0 0 20 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.782 112.5 55.2 -71.1 -27.3 34.7 -1.9 -14.5 120 120 B E H X S+ 0 0 13 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.819 103.4 55.3 -74.9 -32.2 33.4 -1.1 -11.1 121 121 B N H X S+ 0 0 104 -4,-2.0 4,-2.8 2,-0.2 3,-0.4 0.922 106.5 48.3 -67.6 -44.9 30.7 1.1 -12.5 122 122 B K H X S+ 0 0 80 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.942 108.3 53.3 -59.6 -52.6 29.1 -1.5 -14.8 123 123 B Y H < S+ 0 0 1 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.744 116.4 41.8 -54.6 -26.3 29.0 -4.2 -12.2 124 124 B I H >X S+ 0 0 31 -4,-0.8 3,-1.6 -3,-0.4 4,-1.2 0.839 100.6 69.5 -89.1 -40.3 27.1 -1.7 -10.0 125 125 B D H 3X S+ 0 0 88 -4,-2.8 4,-2.2 1,-0.3 5,-0.2 0.819 86.2 69.9 -48.9 -36.5 24.9 -0.3 -12.8 126 126 B A H 3X S+ 0 0 16 -4,-1.4 4,-1.8 1,-0.3 -1,-0.3 0.905 102.6 43.2 -49.5 -45.4 23.0 -3.6 -12.9 127 127 B Y H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.3 0.811 107.1 61.9 -70.2 -31.9 21.5 -2.8 -9.4 128 128 B H H X S+ 0 0 47 -4,-1.2 4,-3.3 2,-0.2 5,-0.2 0.945 105.4 46.1 -58.5 -50.6 20.8 0.8 -10.5 129 129 B V H X S+ 0 0 57 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.972 110.7 52.7 -57.1 -58.3 18.5 -0.4 -13.3 130 130 B I H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.885 118.1 36.5 -43.7 -50.8 16.7 -2.9 -11.0 131 131 B F H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.860 115.7 52.8 -75.7 -37.5 16.0 -0.1 -8.4 132 132 B K H X S+ 0 0 114 -4,-3.3 4,-2.0 -5,-0.3 -2,-0.2 0.939 114.8 42.7 -62.4 -47.0 15.4 2.7 -10.8 133 133 B E H X S+ 0 0 60 -4,-3.3 4,-2.6 -5,-0.2 -2,-0.2 0.914 108.2 58.8 -65.6 -44.2 12.8 0.5 -12.7 134 134 B G H <>S+ 0 0 0 -4,-2.0 5,-3.4 -5,-0.4 6,-0.9 0.845 106.1 51.0 -53.9 -33.2 11.3 -0.7 -9.4 135 135 B N H ><5S+ 0 0 53 -4,-1.5 3,-2.3 3,-0.2 -2,-0.2 0.985 108.5 50.4 -67.3 -55.4 10.7 3.0 -8.7 136 136 B L H 3<5S+ 0 0 124 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.860 114.0 43.5 -49.2 -46.5 8.9 3.6 -12.0 137 137 B N T 3<5S- 0 0 118 -4,-2.6 -1,-0.3 1,-0.0 -2,-0.2 0.066 116.1-114.9 -91.3 26.8 6.6 0.6 -11.6 138 138 B G T < 5S+ 0 0 65 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.826 72.3 134.9 45.8 50.2 5.9 1.5 -8.0 139 139 B E S + 0 0 82 1,-0.2 4,-2.3 2,-0.1 3,-0.3 -0.691 61.5 166.0-116.4 80.4 19.0 7.5 -3.4 145 145 B V H > S+ 0 0 16 -2,-0.6 4,-2.9 -3,-0.4 5,-0.2 0.865 77.4 59.5 -59.6 -35.2 19.3 4.7 -5.9 146 146 B N H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 108.7 42.7 -62.2 -40.0 23.0 5.3 -6.2 147 147 B A H > S+ 0 0 11 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.945 115.7 48.2 -70.4 -47.5 23.6 4.7 -2.5 148 148 B V H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.856 111.2 52.0 -61.3 -37.3 21.3 1.6 -2.4 149 149 B S H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.2 -1,-0.2 0.981 110.4 46.6 -63.9 -54.8 22.9 0.1 -5.5 150 150 B K H X S+ 0 0 53 -4,-2.0 4,-2.1 -5,-0.2 5,-0.3 0.906 115.1 47.8 -52.4 -45.5 26.4 0.4 -4.0 151 151 B I H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.962 113.5 46.9 -60.8 -54.0 25.3 -1.0 -0.7 152 152 B A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.941 113.1 48.7 -53.3 -54.3 23.4 -3.9 -2.4 153 153 B A H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.971 117.0 39.2 -52.1 -65.1 26.3 -4.8 -4.7 154 154 B N H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.871 114.7 54.0 -53.7 -42.9 29.0 -4.8 -2.0 155 155 B A H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.941 113.8 43.0 -57.0 -46.5 26.8 -6.5 0.5 156 156 B V H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.920 109.6 54.1 -66.2 -46.5 26.1 -9.2 -2.0 157 157 B N H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.868 107.5 56.2 -55.7 -35.5 29.7 -9.6 -3.1 158 158 B G H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.914 107.1 45.2 -63.1 -47.1 30.3 -10.1 0.6 159 159 B I H X S+ 0 0 4 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.917 116.9 47.0 -63.3 -43.3 28.0 -13.0 0.9 160 160 B V H < S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.947 120.7 34.5 -64.5 -50.1 29.3 -14.5 -2.3 161 161 B T H < S+ 0 0 22 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.854 124.9 36.6 -76.6 -38.1 33.0 -14.2 -1.5 162 162 B F H < 0 0 17 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.576 360.0 360.0 -95.7 -11.7 33.1 -14.7 2.3 163 163 B T < 0 0 41 -4,-1.3 -3,-0.1 -5,-0.3 -2,-0.1 0.958 360.0 360.0 -75.0 360.0 30.4 -17.3 2.9 164 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 165 165 B E 0 0 235 0, 0.0 2,-0.4 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0 157.0 33.7 -26.3 -0.6 166 166 B Q - 0 0 79 3,-0.0 2,-0.2 0, 0.0 5,-0.1 -0.965 360.0 -96.9-121.6 136.3 30.3 -24.9 0.6 167 167 B N > - 0 0 83 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 -0.310 29.9-147.0 -54.2 116.9 26.9 -26.6 -0.2 168 168 B I H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.828 96.2 50.3 -57.8 -34.3 25.6 -24.7 -3.2 169 169 B N H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 107.2 52.6 -72.9 -39.1 22.0 -25.1 -2.0 170 170 B E H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.856 107.6 53.5 -63.0 -35.7 22.7 -23.8 1.4 171 171 B R H X S+ 0 0 40 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.946 106.7 50.7 -64.7 -48.7 24.3 -20.7 -0.1 172 172 B I H X S+ 0 0 27 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.911 107.9 52.1 -57.0 -44.6 21.3 -19.9 -2.2 173 173 B K H X S+ 0 0 136 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.870 112.0 48.1 -60.5 -34.9 18.9 -20.2 0.8 174 174 B L H X S+ 0 0 18 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.941 111.5 48.7 -68.7 -47.0 21.2 -17.7 2.6 175 175 B M H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.859 111.9 49.4 -61.5 -37.3 21.3 -15.4 -0.4 176 176 B N H X S+ 0 0 52 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.947 108.4 52.7 -68.8 -43.5 17.5 -15.5 -0.7 177 177 B K H X S+ 0 0 78 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 112.0 46.5 -54.2 -47.3 17.1 -14.8 3.0 178 178 B F H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.953 110.8 52.3 -58.8 -50.9 19.3 -11.8 2.6 179 179 B S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.863 111.1 47.7 -53.7 -40.8 17.4 -10.7 -0.5 180 180 B Q H X S+ 0 0 81 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.983 112.9 46.9 -65.3 -57.2 14.2 -10.9 1.4 181 181 B I H X S+ 0 0 1 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.877 113.0 50.0 -52.7 -43.7 15.5 -8.9 4.4 182 182 B F H >X S+ 0 0 0 -4,-3.4 3,-1.5 1,-0.2 4,-1.1 0.979 112.3 45.1 -64.8 -52.5 17.0 -6.3 2.2 183 183 B L H 3X S+ 0 0 10 -4,-2.1 4,-0.8 1,-0.3 3,-0.3 0.840 110.4 53.8 -60.4 -33.8 13.9 -5.7 0.1 184 184 B N H 3< S+ 0 0 77 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.643 104.6 58.1 -75.2 -10.2 11.6 -5.7 3.1 185 185 B G H << S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.774 97.8 57.8 -85.4 -28.8 13.9 -3.0 4.5 186 186 B L H < 0 0 21 -4,-1.1 -45,-0.4 -3,-0.3 -2,-0.2 0.776 360.0 360.0 -68.9 -27.9 13.3 -0.7 1.6 187 187 B S < 0 0 103 -4,-0.8 -47,-0.0 180,-0.1 -3,-0.0 -0.123 360.0 360.0 -87.9 360.0 9.6 -0.9 2.4 188 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 189 3 A L >> 0 0 161 0, 0.0 3,-2.7 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0-147.3 61.0 -15.4 23.4 190 4 A K H 3> + 0 0 59 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.706 360.0 72.6 -56.3 -16.5 58.7 -16.7 20.6 191 5 A D H 3> S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.774 87.2 60.9 -68.0 -30.0 57.2 -13.2 21.1 192 6 A K H <> S+ 0 0 103 -3,-2.7 4,-2.2 2,-0.2 5,-0.2 0.920 104.1 47.0 -64.9 -47.3 60.2 -11.7 19.4 193 7 A I H X S+ 0 0 8 -4,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.914 114.5 47.6 -62.6 -42.5 59.6 -13.5 16.1 194 8 A L H X S+ 0 0 22 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.926 110.0 52.4 -63.8 -46.9 55.9 -12.6 16.2 195 9 A G H X S+ 0 0 41 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.946 114.7 40.6 -53.9 -53.9 56.6 -8.9 17.0 196 10 A V H X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.891 111.0 58.4 -62.4 -42.7 59.0 -8.5 14.1 197 11 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.906 104.8 50.0 -56.8 -44.6 56.9 -10.6 11.7 198 12 A K H X S+ 0 0 67 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.933 110.6 50.3 -60.9 -45.0 53.9 -8.3 12.2 199 13 A E H X S+ 0 0 124 -4,-1.6 4,-3.6 2,-0.2 -2,-0.2 0.912 112.7 45.6 -59.2 -45.8 56.1 -5.2 11.4 200 14 A L H X>S+ 0 0 17 -4,-2.5 4,-3.4 2,-0.2 5,-0.8 0.941 113.5 49.1 -64.1 -47.3 57.5 -6.8 8.3 201 15 A F H X5S+ 0 0 2 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.916 115.9 45.1 -57.8 -43.1 54.0 -7.9 7.1 202 16 A I H <5S+ 0 0 51 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.971 119.4 40.8 -63.9 -54.0 52.8 -4.4 7.9 203 17 A K H <5S+ 0 0 162 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.950 138.5 8.3 -60.4 -56.9 55.7 -2.7 6.2 204 18 A N H <5S- 0 0 73 -4,-3.4 4,-0.4 1,-0.3 -3,-0.2 0.460 104.6-118.3-109.9 -2.7 56.2 -4.9 3.1 205 19 A G << - 0 0 10 -4,-1.5 4,-0.3 -5,-0.8 -1,-0.3 -0.414 35.0 -69.4 96.6-175.0 53.1 -7.2 3.2 206 20 A Y S S+ 0 0 0 77,-0.2 -1,-0.1 2,-0.1 78,-0.1 0.913 123.0 45.1 -85.5 -49.6 52.7 -11.0 3.5 207 21 A N S S+ 0 0 45 1,-0.2 -2,-0.1 -6,-0.1 -1,-0.1 0.867 114.0 47.8 -63.9 -41.9 54.0 -12.3 0.2 208 22 A A S S+ 0 0 60 -4,-0.4 2,-0.5 -7,-0.1 -1,-0.2 0.742 93.8 91.3 -72.1 -25.6 57.2 -10.1 0.0 209 23 A T - 0 0 0 -4,-0.3 2,-0.2 -3,-0.1 -8,-0.0 -0.642 65.8-162.4 -77.4 119.2 58.0 -11.0 3.6 210 24 A T > - 0 0 66 -2,-0.5 4,-1.7 1,-0.1 5,-0.2 -0.624 31.2-120.3 -99.6 158.7 60.2 -14.1 3.7 211 25 A T H > S+ 0 0 47 -2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.794 113.5 63.3 -66.9 -25.2 60.9 -16.4 6.6 212 26 A G H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.942 101.4 46.2 -64.3 -50.9 64.6 -15.4 6.1 213 27 A E H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.955 111.9 51.4 -57.3 -50.0 64.0 -11.7 6.9 214 28 A I H X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.874 111.0 52.1 -53.0 -40.5 62.0 -12.6 10.0 215 29 A V H >X>S+ 0 0 19 -4,-1.9 5,-2.2 2,-0.2 3,-0.6 0.974 111.4 40.6 -60.5 -62.7 64.8 -14.9 11.0 216 30 A K H ><5S+ 0 0 164 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.855 115.6 50.4 -58.3 -41.4 67.8 -12.4 10.8 217 31 A L H 3<5S+ 0 0 104 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.722 111.7 49.2 -72.5 -20.7 65.9 -9.5 12.3 218 32 A S H <<5S- 0 0 7 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.464 109.0-120.6 -97.6 -0.9 64.7 -11.6 15.2 219 33 A E T <<5S+ 0 0 154 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.1 0.806 79.7 107.5 66.8 29.0 68.2 -13.0 16.0 220 34 A S < - 0 0 39 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.318 64.3-114.0-117.7-160.4 66.8 -16.5 15.4 221 35 A S > - 0 0 61 -2,-0.1 4,-1.7 -3,-0.1 3,-0.2 -0.966 26.3-110.5-142.6 156.2 67.1 -19.2 12.8 222 36 A K H > S+ 0 0 138 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.746 118.9 58.2 -56.8 -23.2 64.8 -20.9 10.2 223 37 A G H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.942 103.5 46.5 -73.7 -49.5 65.1 -24.0 12.4 224 38 A N H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.794 113.9 52.2 -63.7 -26.6 63.7 -22.4 15.6 225 39 A L H X>S+ 0 0 7 -4,-1.7 4,-2.9 2,-0.2 5,-0.6 0.986 105.2 50.6 -72.1 -58.2 60.9 -20.9 13.5 226 40 A Y H X5S+ 0 0 141 -4,-2.1 4,-1.0 1,-0.3 -2,-0.2 0.804 111.5 54.5 -48.5 -29.7 59.8 -24.2 11.9 227 41 A Y H <5S+ 0 0 177 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.961 115.2 33.8 -70.5 -51.9 59.8 -25.5 15.5 228 42 A H H <5S+ 0 0 62 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.1 0.776 138.2 13.7 -77.6 -29.2 57.5 -22.9 17.0 229 43 A F H <5S- 0 0 6 -4,-2.9 2,-2.3 1,-0.1 5,-0.2 0.272 80.0-145.1-133.9 13.3 55.1 -22.2 14.0 230 44 A K S < S- 0 0 57 -2,-2.3 4,-0.9 1,-0.1 0, 0.0 -0.611 80.7-105.0-119.8-179.4 55.1 -22.8 8.4 232 46 A K H >> S+ 0 0 32 2,-0.2 4,-2.2 -2,-0.2 3,-1.4 0.967 118.8 54.0 -70.3 -52.5 54.9 -19.1 7.6 233 47 A E H 3> S+ 0 0 38 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.828 105.8 54.9 -49.2 -36.9 51.1 -19.2 7.1 234 48 A N H 3> S+ 0 0 35 -5,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.828 106.1 51.5 -70.0 -29.4 50.9 -20.7 10.6 235 49 A L H < S+ 0 0 60 -4,-1.8 3,-1.0 -5,-0.2 4,-0.2 0.951 119.9 43.0 -81.2 -58.7 34.7 -1.8 26.0 254 68 A E H >< 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4,-3.6 2,-0.2 5,-0.2 0.923 103.2 54.7 -62.5 -40.7 25.1 -2.2 19.2 265 79 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.948 110.3 44.6 -56.1 -53.8 24.5 -3.5 15.6 266 80 A Y H X S+ 0 0 52 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.948 116.4 48.0 -54.6 -49.8 24.9 0.0 14.2 267 81 A L H X S+ 0 0 44 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.895 109.7 51.0 -58.6 -47.5 28.0 0.5 16.4 268 82 A Y H X S+ 0 0 3 -4,-3.6 4,-1.6 2,-0.2 -1,-0.2 0.900 112.9 46.3 -60.1 -43.0 29.6 -2.8 15.5 269 83 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.950 114.3 45.1 -66.8 -48.8 29.2 -2.2 11.8 270 84 A E H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.892 112.2 53.5 -61.2 -39.6 30.5 1.4 11.8 271 85 A L H X S+ 0 0 21 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.847 106.4 52.8 -65.0 -35.8 33.4 0.4 14.1 272 86 A S H X S+ 0 0 11 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.951 111.0 47.1 -64.3 -48.6 34.4 -2.4 11.6 273 87 A L H X S+ 0 0 4 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.980 119.0 37.4 -56.2 -63.1 34.5 0.0 8.8 274 88 A T H >X S+ 0 0 33 -4,-2.5 4,-1.2 1,-0.2 3,-0.5 0.899 115.4 52.6 -59.3 -46.3 36.5 2.8 10.6 275 89 A T H 3< S+ 0 0 31 -4,-2.5 4,-0.4 -5,-0.3 3,-0.3 0.907 113.6 44.1 -57.8 -42.6 38.8 0.4 12.5 276 90 A Q H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.643 100.6 72.3 -77.7 -14.1 39.7 -1.4 9.3 277 91 A Y H << S+ 0 0 109 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.908 115.0 20.0 -68.1 -41.9 40.2 1.8 7.4 278 92 A Y S < S+ 0 0 174 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.305 91.8 126.3-111.0 10.5 43.4 2.7 9.2 279 93 A Y > - 0 0 51 -4,-0.4 3,-0.8 -5,-0.2 4,-0.3 -0.559 50.3-152.1 -70.2 117.3 44.3 -0.8 10.4 280 94 A P T > S+ 0 0 63 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.938 89.5 56.2 -56.8 -55.2 47.9 -1.5 9.2 281 95 A L T 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.713 82.1 95.3 -52.9 -22.1 47.7 -5.3 8.9 282 96 A Q H <> S+ 0 0 32 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.852 83.6 45.8 -37.9 -58.2 44.7 -4.9 6.6 283 97 A N H <> S+ 0 0 97 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.916 114.0 48.8 -56.8 -44.6 46.8 -5.2 3.4 284 98 A A H > S+ 0 0 2 -4,-0.5 4,-2.4 -3,-0.4 -1,-0.2 0.897 111.4 50.1 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103.0-149.9 59.4 41.6 -22.6 -0.4 295 109 A T >> - 0 0 44 -3,-0.5 4,-3.8 1,-0.1 3,-0.7 -0.803 61.5-142.0-150.4 102.2 43.7 -24.9 1.8 296 110 A N H 3> S+ 0 0 159 -2,-0.3 4,-1.1 1,-0.3 5,-0.1 0.700 102.8 43.7 -29.8 -42.1 42.1 -27.6 4.1 297 111 A S H 3> S+ 0 0 66 2,-0.2 4,-0.9 1,-0.1 -1,-0.3 0.920 123.2 33.2 -77.2 -46.6 44.6 -26.9 6.9 298 112 A I H <> S+ 0 0 9 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.734 115.0 59.3 -81.8 -25.9 44.5 -23.1 6.8 299 113 A N H X S+ 0 0 43 -4,-3.8 4,-3.3 2,-0.2 5,-0.3 0.926 103.8 49.3 -68.8 -47.7 40.9 -22.8 5.8 300 114 A E H X S+ 0 0 121 -4,-1.1 4,-1.4 -5,-0.4 -1,-0.2 0.899 115.9 44.3 -58.2 -40.9 39.6 -24.7 8.8 301 115 A K H X S+ 0 0 77 -4,-0.9 4,-0.9 2,-0.2 -1,-0.2 0.774 113.9 51.7 -73.9 -28.2 41.7 -22.4 11.0 302 116 A M H X S+ 0 0 12 -4,-1.5 4,-2.3 2,-0.2 3,-0.4 0.904 107.9 49.3 -73.7 -46.6 40.6 -19.4 9.0 303 117 A N H X S+ 0 0 75 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.864 106.7 57.7 -61.4 -35.5 36.9 -20.1 9.3 304 118 A K H X S+ 0 0 102 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.827 109.2 45.8 -63.4 -33.2 37.4 -20.6 13.1 305 119 A L H >X S+ 0 0 13 -4,-0.9 4,-0.9 -3,-0.4 3,-0.7 0.907 112.6 48.0 -74.4 -47.5 38.8 -17.0 13.3 306 120 A E H 3X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.811 104.5 63.5 -63.9 -31.4 36.0 -15.5 11.1 307 121 A N H 3X S+ 0 0 87 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.819 95.7 57.1 -64.9 -30.6 33.5 -17.3 13.2 308 122 A K H X S+ 0 0 78 -4,-0.9 3,-0.7 -3,-0.3 4,-0.6 0.911 113.8 48.4 -70.4 -40.2 33.8 -12.1 14.5 310 124 A I H >X S+ 0 0 23 -4,-2.1 3,-1.3 1,-0.2 4,-1.2 0.889 101.1 64.1 -65.4 -41.2 30.4 -13.5 13.3 311 125 A D H 3X S+ 0 0 91 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.772 89.3 67.7 -55.0 -29.3 29.6 -14.7 16.8 312 126 A A H S+ 0 0 0 -4,-2.2 5,-1.5 -5,-0.4 6,-1.3 0.834 105.2 53.5 -63.9 -34.4 17.7 -8.5 20.9 321 135 A N H ><5S+ 0 0 43 -4,-2.1 3,-1.2 4,-0.2 -1,-0.2 0.955 113.9 42.2 -64.1 -49.8 15.2 -11.4 20.7 322 136 A L H 3<5S+ 0 0 126 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.954 110.3 55.7 -61.2 -51.1 15.1 -11.5 24.5 323 137 A N T 3<5S- 0 0 104 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.262 111.9-118.5 -69.9 15.7 15.0 -7.7 25.0 324 138 A G T < 5S+ 0 0 64 -3,-1.2 -3,-0.2 2,-0.2 -1,-0.1 0.573 80.6 124.6 58.5 11.9 11.9 -7.6 22.7 325 139 A E S + 0 0 91 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 -0.751 63.4 169.0-100.8 92.9 17.2 -18.4 12.7 331 145 A V H > S+ 0 0 16 -2,-1.1 4,-2.8 -3,-0.3 5,-0.2 0.857 74.2 60.6 -68.2 -35.9 19.8 -16.3 14.4 332 146 A N H > S+ 0 0 100 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.884 109.1 41.3 -60.3 -42.2 22.7 -18.4 13.0 333 147 A A H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 115.6 49.9 -72.3 -44.7 21.8 -17.7 9.4 334 148 A V H X S+ 0 0 5 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.871 108.7 52.2 -62.2 -38.1 21.0 -14.1 10.0 335 149 A S H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.848 110.6 48.2 -66.4 -37.1 24.3 -13.5 11.8 336 150 A K H X S+ 0 0 86 -4,-1.2 4,-2.6 -5,-0.2 5,-0.3 0.903 112.2 49.9 -69.8 -40.6 26.3 -15.0 9.0 337 151 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.963 113.7 44.3 -62.1 -51.8 24.3 -12.9 6.5 338 152 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.950 115.2 48.9 -57.2 -51.7 24.9 -9.7 8.4 339 153 A A H X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 115.1 41.0 -57.0 -52.7 28.6 -10.4 9.0 340 154 A N H X S+ 0 0 14 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.890 116.0 50.4 -67.5 -36.1 29.5 -11.3 5.4 341 155 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -183,-0.2 0.953 111.5 47.3 -65.1 -46.4 27.4 -8.5 4.0 342 156 A V H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.3 5,-0.2 0.896 111.7 52.2 -59.0 -42.8 29.0 -5.9 6.3 343 157 A N H X S+ 0 0 45 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.3 0.858 107.1 53.5 -63.3 -35.4 32.4 -7.3 5.4 344 158 A G H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 5,-0.5 0.990 109.4 46.4 -60.7 -62.0 31.5 -6.9 1.7 345 159 A I H X S+ 0 0 3 -4,-2.4 4,-1.2 1,-0.3 -2,-0.2 0.908 116.0 46.6 -46.3 -51.4 30.6 -3.2 2.1 346 160 A V H < S+ 0 0 14 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.891 121.4 37.6 -61.9 -37.3 33.8 -2.7 4.1 347 161 A T H < S+ 0 0 40 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.907 120.8 35.5 -84.7 -43.3 35.9 -4.6 1.6 348 162 A F H < S+ 0 0 2 -4,-3.3 2,-1.6 -5,-0.2 -3,-0.2 0.515 77.8 115.4 -92.7 -5.3 34.7 -3.8 -1.8 349 163 A T < + 0 0 10 -4,-1.2 8,-0.0 -5,-0.5 -1,-0.0 -0.475 37.7 177.7 -67.9 92.4 33.7 -0.2 -1.4 350 164 A H + 0 0 23 -2,-1.6 -1,-0.2 -233,-0.0 2,-0.2 0.431 45.3 110.1 -76.6 2.0 36.3 1.2 -3.8 351 165 A E - 0 0 43 1,-0.1 6,-0.0 2,-0.0 2,-0.0 -0.473 60.2-141.6 -78.2 148.3 34.8 4.7 -3.2 352 166 A Q + 0 0 138 -2,-0.2 5,-0.2 4,-0.0 4,-0.2 -0.097 60.9 79.8 -94.2-162.2 36.9 7.3 -1.2 353 167 A N >> - 0 0 89 3,-0.1 4,-1.5 1,-0.1 3,-1.2 0.955 61.6-142.2 61.1 94.7 35.9 9.9 1.3 354 168 A I H 3> S+ 0 0 50 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.743 97.4 67.2 -57.0 -23.2 35.5 8.1 4.7 355 169 A N H 3> S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.882 102.5 44.5 -66.2 -38.2 32.5 10.4 5.4 356 170 A E H <> S+ 0 0 47 -3,-1.2 4,-2.7 2,-0.2 5,-0.2 0.892 107.8 58.9 -73.7 -38.9 30.4 8.8 2.6 357 171 A R H X S+ 0 0 46 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.861 106.2 48.2 -57.7 -39.9 31.5 5.2 3.7 358 172 A I H X S+ 0 0 37 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.911 110.0 53.0 -69.9 -39.9 30.0 5.7 7.1 359 173 A K H X S+ 0 0 128 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.969 111.0 45.0 -57.7 -53.7 26.8 7.1 5.6 360 174 A L H X S+ 0 0 7 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.928 114.0 50.3 -56.7 -46.5 26.4 4.1 3.4 361 175 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.887 111.7 47.6 -61.9 -37.9 27.2 1.7 6.3 362 176 A N H X S+ 0 0 43 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.948 110.7 51.8 -69.2 -40.7 24.7 3.4 8.5 363 177 A K H X S+ 0 0 78 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.927 107.7 52.3 -56.4 -48.3 22.1 3.3 5.8 364 178 A F H X S+ 0 0 0 -4,-2.9 4,-3.6 1,-0.2 -1,-0.2 0.925 107.6 52.9 -53.3 -47.4 22.7 -0.5 5.4 365 179 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.922 110.9 45.8 -56.5 -47.0 22.2 -0.9 9.1 366 180 A Q H X S+ 0 0 87 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.973 115.5 46.4 -60.1 -54.0 18.9 0.9 8.9 367 181 A I H X S+ 0 0 9 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.884 113.3 50.1 -54.7 -44.9 17.7 -1.1 5.8 368 182 A F H X S+ 0 0 0 -4,-3.6 4,-0.9 -5,-0.2 3,-0.5 0.939 114.4 40.4 -64.9 -47.4 18.8 -4.4 7.3 369 183 A L H < S+ 0 0 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