==== 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 TRANSCRIPTION 23-APR-04 1T33 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REPRESSOR (TETR/ACRR FAM . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR R.ZHANG,M.ZHOU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 79.5 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 5 2 0 1 2 0 0 0 2 0 2 3 0 2 1 1 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 . 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 A M 0 0 69 0, 0.0 60,-0.1 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 -19.8 33.4 26.3 82.9 2 2 A N + 0 0 78 50,-0.0 50,-0.1 2,-0.0 49,-0.1 -0.197 360.0 1.1 73.8-161.5 32.2 25.3 86.4 3 3 A I S S- 0 0 127 48,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.433 81.5-106.0 -67.2 127.0 33.6 22.8 89.0 4 4 A P - 0 0 108 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.179 28.3-121.7 -57.4 139.5 36.9 21.0 87.9 5 5 A T - 0 0 47 1,-0.1 3,-0.0 2,-0.0 46,-0.0 -0.531 16.2-165.4 -82.0 146.6 36.9 17.4 86.9 6 6 A T + 0 0 136 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.580 67.2 50.8-108.4 -15.8 39.1 14.9 88.8 7 7 A T S > S- 0 0 82 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.785 76.3-122.7-122.9 166.6 39.1 11.9 86.4 8 8 A T H > S+ 0 0 117 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.849 113.6 53.8 -72.7 -36.8 39.7 11.3 82.7 9 9 A K H > S+ 0 0 175 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 111.3 45.0 -64.1 -42.9 36.2 9.8 82.3 10 10 A G H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 113.6 49.0 -67.2 -42.7 34.6 12.9 83.8 11 11 A E H X S+ 0 0 98 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.849 113.0 49.9 -65.7 -33.4 36.8 15.3 81.7 12 12 A Q H X S+ 0 0 101 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.970 113.2 42.5 -68.7 -56.1 36.0 13.3 78.6 13 13 A A H X S+ 0 0 8 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.881 113.1 53.7 -58.3 -42.1 32.2 13.2 79.0 14 14 A K H X S+ 0 0 17 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.883 109.2 50.0 -61.8 -38.9 32.2 16.9 80.1 15 15 A S H X S+ 0 0 43 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.851 108.8 50.6 -69.3 -36.5 34.1 17.8 76.9 16 16 A Q H X S+ 0 0 73 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.812 107.5 54.4 -71.2 -29.6 31.7 15.8 74.7 17 17 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.840 109.3 47.7 -71.9 -32.8 28.7 17.6 76.3 18 18 A I H X S+ 0 0 5 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.885 110.1 51.8 -73.8 -38.5 30.3 21.0 75.4 19 19 A A H X S+ 0 0 56 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.945 114.3 43.7 -60.7 -48.6 31.0 19.9 71.8 20 20 A A H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.891 113.4 51.6 -63.1 -42.5 27.4 18.8 71.5 21 21 A A H X>S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.5 0.892 106.3 53.6 -63.8 -41.2 26.2 22.0 73.2 22 22 A L H X5S+ 0 0 11 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.912 112.0 46.9 -59.7 -39.8 28.2 24.2 70.9 23 23 A A H X5S+ 0 0 24 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.952 119.4 37.5 -64.9 -53.1 26.5 22.5 68.0 24 24 A Q H X5S+ 0 0 31 -4,-2.7 4,-3.3 2,-0.2 5,-0.4 0.922 121.5 42.9 -67.3 -48.9 23.0 22.7 69.3 25 25 A F H X5S+ 0 0 0 -4,-3.3 4,-2.2 3,-0.2 -3,-0.2 0.890 111.5 56.8 -65.6 -39.4 23.3 26.2 70.9 26 26 A G H << S- 0 0 55 -4,-3.3 3,-1.3 1,-0.3 -3,-0.2 0.455 85.1-146.5-119.4 -2.7 19.2 26.9 67.9 29 29 A G G >< S- 0 0 0 -4,-2.2 3,-1.4 -5,-0.4 -1,-0.3 -0.423 72.8 -19.4 70.0-146.9 20.3 29.1 70.8 30 30 A L G 3 S+ 0 0 65 1,-0.3 -1,-0.2 -2,-0.1 -5,-0.1 0.393 125.5 79.0 -78.0 5.4 18.7 28.5 74.1 31 31 A H G < + 0 0 55 -3,-1.3 -1,-0.3 -7,-0.1 -2,-0.2 0.546 69.6 106.7 -84.6 -11.1 15.8 26.7 72.4 32 32 A A S < S- 0 0 0 -3,-1.4 2,-0.3 -8,-0.1 -7,-0.0 -0.455 73.1-129.4 -65.4 141.4 18.1 23.7 72.1 33 33 A T > - 0 0 53 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.702 7.6-131.8 -98.5 150.8 17.0 21.1 74.6 34 34 A T H > S+ 0 0 41 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.812 109.6 59.5 -66.0 -29.3 19.2 19.3 77.2 35 35 A R H > S+ 0 0 160 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.939 108.3 43.4 -63.9 -45.5 17.8 16.0 76.0 36 36 A D H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.899 114.9 49.2 -66.0 -42.8 19.0 16.6 72.5 37 37 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.916 115.3 44.1 -63.3 -44.4 22.4 17.9 73.7 38 38 A A H X>S+ 0 0 4 -4,-2.8 5,-2.2 2,-0.2 4,-0.9 0.956 113.5 50.1 -64.6 -51.7 22.8 14.8 76.0 39 39 A A H ><5S+ 0 0 66 -4,-2.9 3,-1.0 -5,-0.2 -2,-0.2 0.925 113.1 47.6 -51.2 -48.6 21.6 12.4 73.3 40 40 A L H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.829 111.9 48.8 -63.4 -35.7 24.1 14.0 70.9 41 41 A A H 3<5S- 0 0 10 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.495 110.9-121.1 -83.7 -4.7 27.0 13.8 73.3 42 42 A G T <<5S+ 0 0 64 -3,-1.0 2,-0.2 -4,-0.9 -3,-0.2 0.804 75.4 117.8 68.4 28.3 26.2 10.2 74.1 43 43 A Q S > - 0 0 104 -2,-0.2 3,-0.9 -3,-0.1 4,-0.6 -0.538 30.3-118.7 -87.0 159.5 22.7 11.0 80.1 45 45 A I H 3> S+ 0 0 71 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.744 113.7 62.9 -70.9 -20.1 20.7 14.1 80.8 46 46 A A H 3> S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.728 90.8 67.6 -74.9 -20.4 21.6 13.9 84.5 47 47 A A H <> S+ 0 0 15 -3,-0.9 4,-2.5 2,-0.2 5,-0.3 0.854 96.6 53.6 -66.6 -34.7 25.2 14.4 83.5 48 48 A I H X>S+ 0 0 3 -4,-0.6 4,-2.3 -3,-0.4 5,-1.5 0.929 108.8 48.6 -65.9 -43.4 24.4 17.9 82.4 49 49 A T H X5S+ 0 0 92 -4,-1.0 4,-0.6 3,-0.2 -2,-0.2 0.936 114.5 46.9 -60.7 -45.9 22.9 18.6 85.8 50 50 A Y H <5S+ 0 0 193 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.936 120.9 32.5 -62.5 -53.3 25.9 17.2 87.6 51 51 A Y H <5S+ 0 0 50 -4,-2.5 -48,-0.3 -5,-0.1 -1,-0.2 0.783 140.8 11.5 -77.2 -30.7 28.7 18.9 85.6 52 52 A F H <5S- 0 0 2 -4,-2.3 2,-0.5 -5,-0.3 -3,-0.2 0.646 82.1-139.6-122.3 -25.7 27.0 22.2 84.8 53 53 A G S < S- 0 0 36 -2,-0.5 4,-1.9 -6,-0.2 5,-0.2 -0.974 77.1-105.4-154.8 166.5 21.6 23.9 84.2 55 55 A K H > S+ 0 0 51 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.910 120.4 54.2 -62.6 -40.6 21.2 24.5 80.5 56 56 A E H > S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 108.2 48.2 -63.9 -33.6 22.0 28.2 81.0 57 57 A D H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 109.1 53.2 -75.0 -31.6 25.3 27.3 82.8 58 58 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.884 106.3 54.6 -67.3 -35.8 26.2 24.9 80.1 59 59 A Y H X S+ 0 0 13 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.932 110.4 45.0 -60.8 -48.3 25.6 27.8 77.6 60 60 A L H X S+ 0 0 61 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.851 107.7 58.4 -65.4 -35.9 28.1 30.0 79.5 61 61 A A H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.871 103.9 52.5 -61.0 -37.8 30.5 27.0 79.8 62 62 A C H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.892 108.0 50.7 -64.4 -40.5 30.5 26.9 75.9 63 63 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.899 112.1 48.5 -62.1 -40.9 31.4 30.6 75.9 64 64 A Q H X S+ 0 0 34 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.902 109.9 50.4 -66.1 -44.2 34.2 29.8 78.4 65 65 A W H X S+ 0 0 92 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.901 111.2 49.5 -61.8 -41.7 35.5 26.9 76.3 66 66 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.919 110.0 51.4 -63.9 -41.8 35.5 29.2 73.2 67 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.941 113.1 44.0 -60.2 -48.9 37.4 31.9 75.2 68 68 A D H X S+ 0 0 77 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.931 113.3 51.7 -62.4 -46.2 40.0 29.4 76.3 69 69 A F H X S+ 0 0 39 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.946 117.2 37.5 -54.7 -54.6 40.3 27.9 72.8 70 70 A L H X S+ 0 0 30 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.860 112.8 57.1 -67.3 -38.9 40.8 31.2 71.0 71 71 A G H < S+ 0 0 25 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.886 110.2 46.0 -60.8 -37.9 42.9 32.7 73.8 72 72 A E H >< S+ 0 0 109 -4,-2.2 3,-1.4 2,-0.2 -2,-0.2 0.925 107.6 55.4 -69.3 -48.7 45.3 29.8 73.4 73 73 A K H 3< S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.3 4,-0.2 0.805 120.1 33.2 -55.2 -31.7 45.5 30.0 69.6 74 74 A F T 3X S+ 0 0 16 -4,-1.6 4,-1.9 1,-0.1 -1,-0.3 0.235 87.9 100.1-112.0 13.0 46.5 33.6 69.9 75 75 A R H <> S+ 0 0 107 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.924 84.2 50.8 -63.4 -45.8 48.5 33.5 73.1 76 76 A P H > S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.894 109.9 50.0 -59.5 -41.1 51.8 33.4 71.1 77 77 A H H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.883 110.7 50.0 -64.7 -38.7 50.8 36.4 69.0 78 78 A A H X S+ 0 0 33 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.912 110.9 48.9 -65.7 -43.0 49.9 38.3 72.2 79 79 A E H X S+ 0 0 85 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.906 113.7 46.7 -62.7 -43.4 53.3 37.5 73.8 80 80 A K H X S+ 0 0 85 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.909 110.7 52.0 -64.9 -44.0 55.1 38.6 70.6 81 81 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.883 113.7 43.8 -60.2 -41.1 53.1 41.8 70.3 82 82 A E H X S+ 0 0 109 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.956 112.8 50.6 -67.6 -52.0 53.9 42.7 73.9 83 83 A R H < S+ 0 0 144 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.774 112.3 50.6 -55.4 -28.2 57.5 41.8 73.5 84 84 A L H < S+ 0 0 17 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.862 105.0 53.8 -80.6 -38.7 57.5 44.0 70.4 85 85 A F H < S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.493 90.3 80.6 -75.5 -2.5 55.9 47.0 72.1 86 86 A S S < S+ 0 0 92 -4,-0.6 -1,-0.2 -3,-0.2 3,-0.1 -0.174 76.5 88.9 -96.8 40.2 58.7 46.9 74.8 87 87 A Q S S- 0 0 80 -3,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.993 83.2-123.4-135.6 140.2 61.2 48.7 72.5 88 88 A P S S+ 0 0 146 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.936 108.5 9.6 -46.4 -55.6 61.7 52.4 72.2 89 89 A A S S- 0 0 86 -3,-0.1 3,-0.1 0, 0.0 -4,-0.1 -0.827 90.1-144.3-130.4 90.9 61.0 52.2 68.4 90 90 A P - 0 0 40 0, 0.0 2,-0.7 0, 0.0 -5,-0.1 0.004 32.4 -88.6 -50.6 158.8 59.7 48.8 67.4 91 91 A D > - 0 0 86 1,-0.2 4,-2.1 -7,-0.1 3,-0.4 -0.633 30.0-150.8 -78.0 114.8 60.7 47.3 64.1 92 92 A R H > S+ 0 0 94 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.775 96.4 49.0 -53.6 -32.8 58.2 48.4 61.4 93 93 A D H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.826 109.8 49.6 -79.4 -34.2 58.7 45.2 59.4 94 94 A A H > S+ 0 0 32 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.806 108.6 55.5 -73.2 -30.3 58.3 42.9 62.4 95 95 A I H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.968 109.4 45.1 -64.3 -52.9 55.1 44.8 63.2 96 96 A R H X S+ 0 0 52 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.893 110.8 55.3 -57.2 -41.4 53.7 44.1 59.7 97 97 A E H X S+ 0 0 110 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.916 107.6 49.0 -57.1 -46.1 54.9 40.5 60.1 98 98 A L H X S+ 0 0 11 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.864 108.8 51.8 -64.0 -39.4 52.9 40.1 63.3 99 99 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.942 112.4 46.7 -63.0 -45.9 49.7 41.6 61.8 100 100 A L H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.835 108.3 56.8 -64.2 -32.9 50.0 39.1 58.9 101 101 A L H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.873 106.3 48.9 -66.2 -39.2 50.6 36.3 61.4 102 102 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.952 112.5 48.7 -65.1 -48.7 47.4 37.0 63.2 103 103 A C H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.917 109.8 51.2 -57.0 -46.7 45.6 37.1 59.8 104 104 A K H X S+ 0 0 103 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.905 112.7 46.1 -59.0 -43.2 47.1 33.8 58.7 105 105 A N H X S+ 0 0 47 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.852 111.7 50.8 -69.0 -34.9 46.1 32.1 62.0 106 106 A M H X S+ 0 0 17 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.955 113.0 48.2 -65.1 -47.3 42.6 33.5 61.8 107 107 A I H < S+ 0 0 6 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.915 110.2 47.5 -61.1 -47.4 42.3 32.2 58.2 108 108 A M H < S+ 0 0 61 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.834 116.6 46.8 -67.7 -22.7 43.6 28.7 58.9 109 109 A L H >< S+ 0 0 16 -4,-1.4 3,-1.2 -5,-0.2 -2,-0.2 0.897 110.7 51.5 -79.5 -41.9 41.2 28.6 61.8 110 110 A L T 3< S+ 0 0 28 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.336 104.8 58.5 -77.5 6.3 38.3 30.0 59.8 111 111 A T T 3 S+ 0 0 21 -3,-0.4 2,-0.4 -4,-0.4 -1,-0.2 0.166 88.1 88.6-119.6 16.1 38.8 27.4 57.0 112 112 A Q S X S- 0 0 60 -3,-1.2 3,-1.6 1,-0.1 4,-0.2 -0.962 70.3-138.8-119.7 135.1 38.3 24.3 59.1 113 113 A E G > S+ 0 0 118 -2,-0.4 3,-1.9 1,-0.3 4,-0.4 0.808 95.7 71.2 -54.7 -38.3 35.0 22.5 59.8 114 114 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.545 100.9 46.2 -61.8 -8.0 35.8 21.8 63.5 115 115 A T G <> S+ 0 0 6 -3,-1.6 4,-1.9 -6,-0.2 3,-0.3 0.390 82.5 95.7-113.4 0.7 35.4 25.5 64.3 116 116 A V H <> S+ 0 0 9 -3,-1.9 4,-2.4 -4,-0.2 5,-0.1 0.917 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B K H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.839 108.9 55.3 -68.4 -34.1 1.4 38.8 56.3 230 15 B S H X S+ 0 0 72 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.931 108.2 47.0 -63.4 -48.7 3.9 41.6 57.1 231 16 B Q H X S+ 0 0 74 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.904 112.6 49.6 -61.2 -43.2 3.5 41.1 60.8 232 17 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.902 112.5 47.5 -64.5 -41.0 3.8 37.4 60.6 233 18 B I H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 112.4 49.2 -65.6 -43.0 7.0 37.7 58.4 234 19 B A H X S+ 0 0 58 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.948 114.5 44.8 -60.9 -47.8 8.5 40.2 60.9 235 20 B A H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.869 112.9 51.1 -63.4 -39.0 7.7 38.0 63.8 236 21 B A H X S+ 0 0 0 -4,-2.4 4,-4.1 2,-0.2 5,-0.5 0.887 108.7 51.3 -66.3 -41.0 9.0 34.9 62.0 237 22 B L H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.907 112.4 47.3 -62.0 -42.1 12.3 36.7 61.1 238 23 B A H X S+ 0 0 27 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.971 121.0 36.0 -62.5 -55.7 12.7 37.6 64.8 239 24 B Q H X S+ 0 0 31 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.924 123.4 42.0 -65.3 -49.1 11.9 34.1 66.0 240 25 B F H X S+ 0 0 0 -4,-4.1 4,-2.1 1,-0.2 -3,-0.2 0.864 110.9 57.6 -67.0 -37.7 13.6 32.2 63.1 241 26 B G H < S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.5 -2,-0.2 0.884 116.5 35.4 -60.2 -36.4 16.6 34.6 63.2 242 27 B E H < S+ 0 0 27 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.910 136.0 15.5 -85.2 -46.0 17.2 33.7 66.8 243 28 B Y H >< S- 0 0 53 -4,-2.8 3,-1.6 1,-0.3 -3,-0.2 0.374 85.7-146.8-114.7 4.6 16.3 30.0 67.1 244 29 B G G >< S- 0 0 0 -4,-2.1 3,-1.7 -5,-0.3 -1,-0.3 -0.293 73.2 -17.4 62.1-149.2 16.2 28.8 63.6 245 30 B L G 3 S+ 0 0 56 1,-0.3 -1,-0.2 -5,-0.0 -217,-0.1 0.361 125.1 79.1 -73.1 8.8 13.6 26.0 62.9 246 31 B H G < S+ 0 0 56 -3,-1.6 -1,-0.3 -6,-0.1 -2,-0.2 0.474 71.7 104.6 -90.3 -3.8 13.3 25.4 66.7 247 32 B A S < S- 0 0 0 -3,-1.7 2,-0.3 -11,-0.1 -7,-0.0 -0.479 72.4-128.9 -72.6 147.9 11.1 28.4 66.8 248 33 B T > - 0 0 55 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.772 8.5-136.1-104.5 149.4 7.4 27.6 67.1 249 34 B T H > S+ 0 0 38 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.771 108.3 61.1 -69.5 -24.3 4.5 28.8 65.0 250 35 B R H > S+ 0 0 174 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.963 108.2 41.3 -65.2 -50.4 2.6 29.3 68.3 251 36 B D H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.882 115.6 50.5 -65.0 -39.9 5.2 31.8 69.5 252 37 B I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.935 112.9 45.9 -64.4 -46.0 5.5 33.5 66.1 253 38 B A H X>S+ 0 0 2 -4,-2.6 5,-2.7 2,-0.2 4,-0.7 0.926 114.0 48.9 -61.9 -45.3 1.7 33.9 65.8 254 39 B A H ><5S+ 0 0 71 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.926 112.5 47.7 -60.0 -46.0 1.5 35.2 69.4 255 40 B L H 3<5S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 110.6 51.7 -64.4 -35.1 4.3 37.7 68.7 256 41 B A H 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.577 114.7-119.7 -78.1 -9.5 2.7 38.8 65.5 257 42 B G T <<5S+ 0 0 63 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.843 73.7 108.6 74.8 35.2 -0.5 39.3 67.4 258 43 B Q S - 0 0 113 -2,-0.3 3,-1.5 1,-0.1 4,-0.5 -0.372 36.7-123.5 -69.3 147.8 -4.2 33.5 65.4 260 45 B I T >> S+ 0 0 77 1,-0.3 4,-1.3 2,-0.2 3,-1.2 0.812 110.0 71.4 -63.5 -25.5 -2.0 30.5 64.6 261 46 B A H 3> S+ 0 0 55 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.780 84.8 67.6 -60.6 -26.9 -4.6 29.8 61.8 262 47 B A H <> S+ 0 0 16 -3,-1.5 4,-2.6 1,-0.2 5,-0.3 0.865 99.0 50.1 -61.9 -36.5 -3.3 32.9 60.0 263 48 B I H <>>S+ 0 0 1 -3,-1.2 4,-2.9 -4,-0.5 5,-2.7 0.947 110.9 47.1 -67.4 -49.0 0.1 31.1 59.4 264 49 B T H <5S+ 0 0 97 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.886 117.1 45.5 -58.9 -40.2 -1.5 28.0 58.0 265 50 B Y H <5S+ 0 0 191 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.948 123.0 30.9 -69.6 -53.9 -3.8 30.1 55.7 266 51 B Y H <5S+ 0 0 78 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.822 142.0 4.6 -78.1 -33.3 -1.2 32.6 54.4 267 52 B F T <5S- 0 0 38 -4,-2.9 2,-0.5 -5,-0.3 -3,-0.2 0.748 84.1-140.7-121.7 -43.9 1.9 30.4 54.4 268 53 B G < + 0 0 19 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.960 61.4 16.3 118.2-130.4 1.3 26.8 55.4 269 54 B S S > S- 0 0 50 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.129 81.6-100.6 -74.6 174.1 3.7 24.8 57.5 270 55 B K H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.919 128.0 52.4 -60.3 -42.1 6.5 26.2 59.7 271 56 B E H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.807 106.5 53.3 -63.6 -31.4 8.9 25.3 56.9 272 57 B D H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 109.8 47.6 -69.5 -41.6 6.7 27.1 54.5 273 58 B L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.864 108.1 55.5 -65.8 -38.4 6.9 30.2 56.6 274 59 B Y H X S+ 0 0 10 -4,-2.3 4,-1.4 1,-0.2 3,-0.3 0.929 110.5 44.8 -60.8 -45.4 10.7 29.9 57.0 275 60 B L H X S+ 0 0 65 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.816 108.3 57.7 -69.8 -28.7 11.0 29.9 53.2 276 61 B A H X S+ 0 0 21 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.810 103.0 54.3 -70.7 -28.7 8.6 32.8 52.9 277 62 B C H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.890 108.3 49.4 -69.4 -38.1 11.0 34.8 55.2 278 63 B A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.912 109.6 51.4 -65.8 -42.2 13.8 34.0 52.7 279 64 B Q H X S+ 0 0 67 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.901 109.3 51.0 -61.2 -41.0 11.6 35.1 49.8 280 65 B W H X S+ 0 0 100 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.873 109.1 50.2 -63.8 -39.5 10.9 38.4 51.7 281 66 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.892 110.8 49.2 -67.0 -39.6 14.6 39.0 52.3 282 67 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.938 113.9 45.9 -64.5 -45.6 15.4 38.4 48.6 283 68 B D H X S+ 0 0 84 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.923 114.5 48.3 -61.2 -46.3 12.6 40.8 47.6 284 69 B F H X S+ 0 0 33 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.971 115.8 41.9 -57.4 -60.4 13.7 43.4 50.2 285 70 B L H X S+ 0 0 26 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.879 112.0 56.2 -55.3 -44.2 17.4 43.3 49.2 286 71 B G H X S+ 0 0 31 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.909 109.4 45.7 -57.5 -43.2 16.5 43.1 45.5 287 72 B E H >< S+ 0 0 95 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.933 108.3 56.4 -66.2 -46.3 14.5 46.4 45.8 288 73 B K H 3< S+ 0 0 70 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.845 116.4 36.1 -54.8 -36.1 17.2 48.1 47.8 289 74 B F H 3X S+ 0 0 19 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.462 89.8 91.8-101.7 1.3 19.8 47.5 45.1 290 75 B R H XX S+ 0 0 100 -3,-1.0 4,-2.5 -4,-0.8 3,-0.5 0.945 83.3 57.4 -58.1 -50.2 17.6 47.9 42.0 291 76 B P H 3> S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.871 107.4 48.3 -48.0 -43.4 18.5 51.6 41.7 292 77 B H H 3> S+ 0 0 33 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.850 110.1 51.8 -67.5 -35.8 22.2 50.8 41.5 293 78 B A H < S+ 0 0 151 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.847 109.7 52.4 -64.2 -30.9 22.9 53.3 32.0 299 84 B L H >< S+ 0 0 23 -4,-1.3 3,-1.2 1,-0.3 2,-0.8 0.939 110.0 45.8 -69.6 -47.8 26.6 53.6 32.4 300 85 B F T 3< S+ 0 0 111 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.244 96.5 81.8 -89.2 46.8 27.5 50.6 30.3 301 86 B S T < S+ 0 0 94 -3,-0.9 -1,-0.2 -2,-0.8 -2,-0.2 0.416 82.3 68.5-122.3 -14.4 25.0 52.0 27.8 302 87 B Q S < S- 0 0 101 -3,-1.2 0, 0.0 2,-0.2 0, 0.0 -0.776 75.0-136.9-109.7 153.1 27.4 54.5 26.3 303 88 B P S S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.777 77.1 104.4 -77.0 -25.1 30.5 53.8 24.2 304 89 B A S S- 0 0 57 1,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.373 75.4-127.1 -63.1 122.5 32.4 56.4 26.1 305 90 B P + 0 0 128 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.557 32.1 172.6 -72.1 127.9 34.8 55.0 28.7 306 91 B D >> + 0 0 84 -2,-0.3 3,-1.8 1,-0.1 4,-1.1 -0.501 3.7 170.4-139.5 68.9 34.3 56.4 32.2 307 92 B R H 3> S+ 0 0 109 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.729 77.7 51.5 -49.8 -35.7 36.5 54.5 34.6 308 93 B D H 3> S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.654 102.8 60.7 -81.2 -14.0 35.9 56.7 37.6 309 94 B A H <> S+ 0 0 20 -3,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.814 103.3 52.4 -77.1 -31.7 32.2 56.4 37.1 310 95 B I H X S+ 0 0 15 -4,-1.1 4,-2.0 2,-0.2 3,-0.3 0.928 107.9 48.7 -67.1 -48.4 32.7 52.7 37.6 311 96 B R H X S+ 0 0 37 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.860 107.6 58.4 -59.2 -34.5 34.5 53.3 40.9 312 97 B E H X S+ 0 0 90 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.877 104.3 49.7 -62.7 -40.6 31.7 55.6 41.8 313 98 B L H X S+ 0 0 8 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.915 109.7 50.9 -65.5 -44.4 29.2 52.7 41.4 314 99 B I H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.961 113.5 44.1 -57.4 -54.4 31.2 50.4 43.6 315 100 B L H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.854 111.3 54.3 -59.8 -37.1 31.5 53.0 46.4 316 101 B L H X S+ 0 0 52 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.827 106.9 51.1 -68.4 -31.5 27.9 53.9 46.2 317 102 B A H X S+ 0 0 9 -4,-1.8 4,-2.5 -3,-0.4 -1,-0.2 0.890 109.9 50.0 -71.4 -40.4 26.9 50.2 46.6 318 103 B C H X S+ 0 0 5 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.897 108.8 52.6 -63.6 -41.8 29.1 50.0 49.7 319 104 B K H X S+ 0 0 65 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.964 111.4 45.6 -58.2 -53.5 27.4 53.1 51.1 320 105 B N H X S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.890 113.9 49.5 -58.4 -40.5 24.0 51.7 50.6 321 106 B M H X S+ 0 0 19 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.946 112.1 48.5 -62.7 -47.8 25.2 48.3 52.1 322 107 B I H < S+ 0 0 2 -4,-3.4 -2,-0.2 2,-0.2 -1,-0.2 0.884 110.6 50.3 -60.0 -41.3 26.7 50.2 55.1 323 108 B M H >< S+ 0 0 39 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.955 113.3 46.4 -62.6 -48.6 23.5 52.2 55.6 324 109 B L H >< S+ 0 0 14 -4,-2.4 3,-1.1 1,-0.3 6,-0.3 0.899 110.4 53.3 -60.0 -41.8 21.4 49.1 55.5 325 110 B L T 3< S+ 0 0 29 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.261 103.3 57.7 -81.2 12.4 23.8 47.2 57.9 326 111 B T T < S+ 0 0 22 -3,-1.5 2,-0.4 -5,-0.1 -1,-0.2 0.077 85.1 92.9-126.3 21.5 23.7 50.0 60.6 327 112 B Q X - 0 0 70 -3,-1.1 3,-1.6 1,-0.1 4,-0.2 -0.958 68.0-144.7-115.8 134.4 19.9 50.0 61.2 328 113 B E G > S+ 0 0 134 -2,-0.4 3,-1.4 1,-0.3 4,-0.4 0.737 98.0 81.5 -65.3 -19.5 18.4 47.8 64.0 329 114 B D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.797 98.0 34.5 -50.7 -38.6 15.7 47.7 61.3 330 115 B T G <> S+ 0 0 6 -3,-1.6 4,-1.5 -6,-0.3 3,-0.3 0.248 84.1 104.8-108.2 11.6 17.6 44.9 59.5 331 116 B V H <> S+ 0 0 13 -3,-1.4 4,-2.0 1,-0.2 -1,-0.1 0.861 82.0 49.7 -63.0 -36.0 19.2 43.0 62.4 332 117 B N H > S+ 0 0 54 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.783 105.9 57.2 -73.6 -25.3 16.8 40.0 62.2 333 118 B L H > S+ 0 0 19 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.894 109.7 46.4 -69.2 -37.4 17.4 39.8 58.4 334 119 B S H X S+ 0 0 9 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.867 108.5 53.8 -71.0 -40.3 21.2 39.4 59.3 335 120 B K H X S+ 0 0 30 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.928 111.6 47.1 -58.9 -45.1 20.5 36.8 62.0 336 121 B F H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.913 115.9 42.8 -63.4 -46.9 18.6 34.7 59.5 337 122 B I H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.916 110.7 56.1 -68.2 -43.5 21.2 35.0 56.7 338 123 B S H X S+ 0 0 19 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.906 108.5 47.6 -54.4 -46.0 24.1 34.5 59.1 339 124 B R H >X S+ 0 0 18 -4,-1.9 4,-0.9 1,-0.2 3,-0.6 0.932 112.9 48.0 -61.2 -47.6 22.7 31.2 60.2 340 125 B E H 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.785 103.4 63.2 -63.4 -29.4 22.0 30.0 56.7 341 126 B Q H 3< S+ 0 0 11 -4,-2.1 -157,-0.8 1,-0.2 -1,-0.2 0.879 113.6 33.0 -64.6 -36.7 25.5 31.0 55.6 342 127 B L H << S+ 0 0 15 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.488 134.6 28.4 -99.2 -4.4 27.0 28.4 58.0 343 128 B S S < S- 0 0 41 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 -0.440 88.6-152.8-154.5 68.1 24.2 25.9 57.7 344 129 B P + 0 0 59 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.062 17.9 174.9 -48.9 140.6 22.7 26.3 54.2 345 130 B T > - 0 0 57 -5,-0.1 4,-1.6 0, 0.0 3,-0.4 -0.705 55.7 -86.8-134.6 178.9 19.1 25.4 53.5 346 131 B S H > S+ 0 0 82 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.752 128.2 68.3 -64.1 -19.4 16.9 25.7 50.5 347 132 B A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 99.1 44.8 -64.4 -47.4 16.3 29.1 52.1 348 133 B Y H > S+ 0 0 2 -3,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.914 110.7 54.5 -62.7 -43.8 19.9 30.3 51.4 349 134 B Q H X S+ 0 0 67 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.888 106.1 53.0 -57.6 -40.6 19.8 29.0 47.9 350 135 B L H X S+ 0 0 29 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.971 113.6 41.1 -59.0 -55.8 16.6 31.0 47.2 351 136 B V H X>S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-2.2 0.858 115.0 53.7 -61.4 -36.4 18.2 34.3 48.4 352 137 B H H <>S+ 0 0 7 -4,-2.9 5,-3.6 3,-0.2 -2,-0.2 0.953 112.7 40.4 -64.9 -50.5 21.5 33.4 46.6 353 138 B E H <5S+ 0 0 126 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 121.6 42.7 -65.6 -42.8 20.0 32.7 43.2 354 139 B Q H <5S- 0 0 85 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.861 138.8 -10.6 -75.1 -36.1 17.6 35.7 43.4 355 140 B V T X5S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.3 5,-0.3 0.699 122.9 55.1-132.6 -47.6 19.8 38.3 44.9 356 141 B I H > S+ 0 0 51 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.913 117.5 44.3 -63.2 -44.1 23.7 38.6 40.9 359 144 B L H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.934 116.3 45.3 -67.6 -46.0 24.9 41.3 43.2 360 145 B H H X S+ 0 0 8 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.905 116.1 48.3 -63.7 -39.9 28.2 39.6 44.1 361 146 B T H X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.930 111.3 48.6 -66.4 -46.4 28.8 38.9 40.5 362 147 B H H X S+ 0 0 94 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.877 111.8 50.7 -60.8 -39.0 28.0 42.4 39.3 363 148 B L H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.904 109.7 49.5 -65.4 -42.7 30.3 43.7 42.0 364 149 B T H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.890 111.2 51.0 -63.1 -38.5 33.1 41.4 40.9 365 150 B R H X S+ 0 0 128 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.889 108.8 49.8 -67.6 -39.0 32.4 42.6 37.3 366 151 B L H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 113.9 45.5 -65.1 -44.8 32.6 46.3 38.3 367 152 B V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.944 113.7 50.0 -62.1 -46.0 35.9 45.7 40.2 368 153 B A H X>S+ 0 0 3 -4,-2.8 5,-2.9 1,-0.2 4,-0.8 0.915 112.4 47.3 -58.0 -45.3 37.2 43.6 37.2 369 154 B A H <5S+ 0 0 50 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.852 112.5 49.0 -66.8 -36.6 36.3 46.4 34.8 370 155 B Y H <5S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.964 119.8 35.5 -68.2 -51.0 37.8 49.1 36.9 371 156 B T H <5S- 0 0 2 -4,-2.6 64,-2.2 -5,-0.2 -1,-0.2 0.491 111.0-119.9 -81.2 -4.4 41.1 47.3 37.4 372 157 B G T <5 + 0 0 57 -4,-0.8 -3,-0.2 -5,-0.2 2,-0.2 0.912 66.9 132.1 67.2 44.0 41.0 45.8 33.9 373 158 B C < - 0 0 34 -5,-2.9 2,-0.7 -6,-0.2 -1,-0.2 -0.554 65.8 -82.9-116.0-177.3 41.1 42.2 35.1 374 159 B D > - 0 0 122 -2,-0.2 3,-1.3 1,-0.1 6,-0.3 -0.815 29.9-152.1 -93.4 117.6 39.1 39.1 34.2 375 160 B A T 3 S+ 0 0 23 -2,-0.7 -1,-0.1 1,-0.3 -7,-0.1 0.770 93.1 51.6 -57.8 -31.1 35.8 38.9 36.1 376 161 B N T 3 S+ 0 0 133 4,-0.1 -1,-0.3 -11,-0.1 2,-0.1 0.586 80.0 114.8 -86.0 -9.8 35.6 35.1 36.1 377 162 B D S X> S- 0 0 72 -3,-1.3 4,-1.8 1,-0.2 3,-0.9 -0.384 73.4-129.4 -60.2 133.3 39.1 34.6 37.4 378 163 B T H 3> S+ 0 0 50 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.861 108.5 59.0 -52.2 -36.8 39.0 33.0 40.9 379 164 B R H 3> S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.849 102.5 50.0 -63.1 -38.4 41.3 35.7 42.1 380 165 B M H <> S+ 0 0 5 -3,-0.9 4,-2.3 -6,-0.3 -1,-0.2 0.896 110.3 51.6 -67.1 -40.0 38.9 38.5 41.1 381 166 B I H X S+ 0 0 10 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.916 112.0 46.6 -62.6 -41.4 36.1 36.7 43.0 382 167 B L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.893 110.7 51.1 -68.3 -41.7 38.4 36.4 46.0 383 168 B H H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 113.2 46.0 -60.5 -46.7 39.5 40.1 46.0 384 169 B T H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.911 112.7 49.4 -63.2 -44.6 35.9 41.2 45.7 385 170 B H H X S+ 0 0 10 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.923 113.0 46.8 -63.2 -42.7 34.7 38.9 48.5 386 171 B A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.922 112.2 52.3 -62.2 -43.6 37.5 40.0 50.8 387 172 B L H >X S+ 0 0 10 -4,-2.6 3,-1.5 1,-0.2 4,-0.7 0.932 106.8 51.3 -57.5 -50.3 36.7 43.6 49.9 388 173 B L H 3X S+ 0 0 20 -4,-2.9 4,-2.2 1,-0.3 3,-0.5 0.762 96.6 71.5 -59.5 -27.3 33.0 43.1 50.8 389 174 B G H 3X S+ 0 0 2 -4,-1.2 4,-1.6 -3,-0.4 -1,-0.3 0.796 89.9 59.7 -60.4 -29.6 34.1 41.7 54.1 390 175 B E H << S+ 0 0 1 -3,-1.5 4,-0.4 -4,-0.6 -1,-0.2 0.884 108.0 44.4 -66.6 -38.3 35.1 45.2 55.2 391 176 B V H >< S+ 0 0 2 -4,-0.7 3,-1.0 -3,-0.5 4,-0.3 0.940 116.1 45.2 -70.4 -48.4 31.6 46.5 54.7 392 177 B L H >X S+ 0 0 54 -4,-2.2 4,-2.7 1,-0.2 3,-1.5 0.733 91.9 85.8 -68.9 -21.5 29.9 43.5 56.4 393 178 B A H 3X S+ 0 0 9 -4,-1.6 4,-1.8 1,-0.3 -1,-0.2 0.800 84.9 55.3 -49.4 -35.4 32.4 43.6 59.3 394 179 B F H <4 S+ 0 0 4 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.737 115.3 34.8 -77.0 -22.2 30.4 46.2 61.1 395 180 B R H X4 S+ 0 0 4 -3,-1.5 3,-1.5 -4,-0.3 4,-0.2 0.853 121.6 46.6 -93.6 -46.5 27.1 44.2 61.2 396 181 B L H 3< S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.788 125.6 31.9 -65.7 -30.0 28.8 40.8 61.6 397 182 B G T 3X S+ 0 0 7 -4,-1.8 4,-2.3 -5,-0.4 -1,-0.3 -0.158 85.2 135.9-117.0 36.7 31.1 42.1 64.3 398 183 B K H <> + 0 0 29 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.921 67.9 44.1 -50.5 -60.4 28.5 44.5 65.6 399 184 B E H > S+ 0 0 41 -273,-1.1 4,-2.0 -4,-0.2 -1,-0.2 0.859 113.9 50.7 -59.6 -36.4 28.9 44.0 69.4 400 185 B T H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 112.7 44.9 -72.3 -36.2 32.7 43.9 69.3 401 186 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 6,-0.4 0.839 112.3 51.6 -75.1 -30.5 33.0 47.2 67.3 402 187 B L H X>S+ 0 0 11 -4,-2.2 4,-1.4 -5,-0.3 5,-0.6 0.913 114.5 44.0 -69.8 -40.4 30.4 49.0 69.5 403 188 B L H <5S+ 0 0 79 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.923 114.6 48.4 -68.7 -43.9 32.3 47.9 72.6 404 189 B R H <5S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.862 119.4 38.5 -64.2 -37.5 35.7 48.8 71.1 405 190 B T H <5S- 0 0 17 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.635 104.0-128.4 -87.6 -17.3 34.5 52.2 69.9 406 191 B G T <5 + 0 0 61 -4,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.508 57.8 146.3 81.7 2.6 32.4 52.9 73.0 407 192 B W < - 0 0 32 -5,-0.6 -1,-0.3 -6,-0.4 -2,-0.1 -0.558 46.0-148.4 -72.7 135.0 29.4 53.7 70.8 408 193 B P S S- 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.813 76.7 -28.4 -73.2 -26.3 26.1 52.6 72.5 409 194 B Q S S- 0 0 104 -7,-0.1 2,-0.1 -3,-0.0 5,-0.1 -0.949 78.5 -80.4-173.2 170.4 24.7 52.0 69.0 410 195 B F + 0 0 18 -2,-0.3 2,-0.3 -3,-0.1 -82,-0.1 -0.345 44.2 164.1 -82.4 166.3 25.1 53.2 65.4 411 196 B D > - 0 0 55 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.897 53.5 -70.1-162.0-175.2 23.5 56.3 63.9 412 197 B E H > S+ 0 0 156 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.909 127.8 42.7 -54.4 -53.0 23.8 58.6 60.9 413 198 B E H > S+ 0 0 141 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.837 114.8 49.7 -68.3 -34.3 27.2 60.2 61.8 414 199 B K H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.912 110.2 49.8 -71.2 -41.1 28.7 56.9 62.9 415 200 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.785 106.9 58.6 -64.9 -27.4 27.7 55.1 59.7 416 201 B E H X S+ 0 0 69 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.904 105.5 47.2 -67.2 -45.0 29.2 58.0 57.9 417 202 B L H X S+ 0 0 48 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.893 110.8 51.8 -64.1 -42.4 32.6 57.4 59.5 418 203 B I H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.950 109.8 50.2 -59.5 -46.9 32.3 53.7 58.7 419 204 B Y H X S+ 0 0 44 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.912 110.5 49.3 -57.0 -44.5 31.6 54.6 55.1 420 205 B Q H X S+ 0 0 99 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.870 112.1 49.0 -63.5 -37.8 34.6 56.9 55.0 421 206 B T H X S+ 0 0 7 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.972 114.9 42.1 -64.9 -57.1 36.8 54.2 56.4 422 207 B V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.901 112.8 54.4 -58.3 -44.2 35.7 51.5 54.0 423 208 B T H X S+ 0 0 19 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.878 106.0 53.4 -58.5 -39.6 35.8 54.0 51.1 424 209 B C H X S+ 0 0 43 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.959 112.4 43.7 -58.8 -51.6 39.4 54.8 51.9 425 210 B H H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.897 112.0 52.2 -62.1 -44.2 40.4 51.1 51.8 426 211 B I H X S+ 0 0 4 -4,-2.9 4,-3.6 2,-0.2 5,-0.2 0.930 110.6 48.2 -59.3 -47.0 38.4 50.4 48.6 427 212 B D H X S+ 0 0 36 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.934 113.0 48.5 -58.7 -47.0 40.1 53.3 46.8 428 213 B L H X S+ 0 0 46 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.908 116.3 43.2 -60.0 -41.9 43.5 52.1 48.1 429 214 B I H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.913 109.8 54.5 -71.9 -44.6 42.7 48.5 47.0 430 215 B L H X S+ 0 0 0 -4,-3.6 4,-1.4 1,-0.2 -1,-0.2 0.880 111.8 45.5 -58.4 -38.6 41.2 49.4 43.6 431 216 B H H < S+ 0 0 111 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.875 110.3 52.3 -73.9 -37.0 44.3 51.4 42.6 432 217 B G H < S+ 0 0 44 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.741 112.9 46.5 -70.6 -21.9 46.8 48.8 43.8 433 218 B L H < S+ 0 0 14 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.767 77.1 118.1 -90.5 -28.0 45.0 46.1 41.8 434 219 B T < 0 0 47 -4,-1.4 -62,-0.2 -5,-0.2 -63,-0.1 -0.193 360.0 360.0 -47.0 111.9 44.7 48.0 38.5 435 220 B Q 0 0 174 -64,-2.2 -1,-0.1 0, 0.0 -2,-0.1 -0.178 360.0 360.0 -68.3 360.0 46.7 45.9 36.1