==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 15-OCT-12 4HKU . COMPND 2 MOLECULE: TETR TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR K.TAN,J.C.MACK,M.ENDRES,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 74.9 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 3 1 0 0 0 4 0 0 1 1 0 0 3 0 0 3 0 0 0 0 0 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 2 A A 0 0 131 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.9 51.5 -19.9 -16.2 2 3 A R - 0 0 221 1,-0.0 2,-0.1 0, 0.0 37,-0.0 -0.924 360.0 -98.6-140.7 159.7 51.4 -18.2 -12.8 3 4 A L - 0 0 36 -2,-0.3 2,-0.3 36,-0.1 3,-0.0 -0.365 34.4-129.9 -70.7 154.7 49.6 -17.9 -9.5 4 5 A S > - 0 0 59 1,-0.1 4,-1.5 -2,-0.1 3,-0.2 -0.777 17.5-121.0-101.4 153.0 47.2 -15.1 -8.8 5 6 A Q H > S+ 0 0 107 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.875 113.8 51.8 -56.3 -38.2 47.2 -13.0 -5.7 6 7 A E H > S+ 0 0 124 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.815 103.5 54.1 -75.8 -29.8 43.7 -14.1 -4.9 7 8 A I H > S+ 0 0 82 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.847 113.3 45.7 -71.2 -30.1 44.3 -17.8 -5.2 8 9 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.964 114.8 45.7 -72.9 -54.8 47.1 -17.4 -2.7 9 10 A L H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.948 115.2 48.4 -49.7 -55.1 45.0 -15.2 -0.4 10 11 A N H X S+ 0 0 80 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.870 112.3 47.3 -56.5 -39.4 42.0 -17.6 -0.7 11 12 A X H X S+ 0 0 33 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.891 110.8 52.5 -73.6 -35.4 44.1 -20.6 0.0 12 13 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.901 109.4 49.7 -61.5 -40.9 45.7 -18.9 3.0 13 14 A E H X S+ 0 0 48 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.889 108.1 53.1 -69.2 -38.0 42.3 -18.1 4.4 14 15 A K H X S+ 0 0 114 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.934 112.7 44.2 -61.4 -44.1 41.1 -21.7 3.9 15 16 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.904 112.1 51.2 -72.4 -40.2 44.1 -23.0 5.9 16 17 A I H X S+ 0 0 0 -4,-2.7 4,-3.8 1,-0.2 -1,-0.2 0.929 108.4 52.8 -58.2 -46.6 43.8 -20.4 8.6 17 18 A Y H < S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.0 45.7 -59.5 -35.3 40.2 -21.3 9.0 18 19 A E H < S+ 0 0 115 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.863 138.3 0.0 -75.4 -35.7 41.2 -24.9 9.4 19 20 A K H < S- 0 0 93 -4,-2.4 4,-0.3 -5,-0.1 -3,-0.2 0.398 100.2-106.8-144.1 5.2 44.1 -24.5 11.8 20 21 A G >< - 0 0 19 -4,-3.8 3,-0.6 -5,-0.3 4,-0.1 0.144 36.0 -80.0 86.0 158.8 44.6 -20.8 12.7 21 22 A X G > S+ 0 0 24 1,-0.2 3,-2.2 2,-0.2 -1,-0.1 0.884 118.6 64.3 -58.7 -47.7 47.3 -18.3 11.8 22 23 A E G 3 S+ 0 0 196 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.762 109.2 39.3 -55.2 -29.2 49.9 -19.4 14.3 23 24 A K G < S+ 0 0 145 -3,-0.6 2,-0.5 -4,-0.3 -1,-0.3 0.280 96.6 98.5-105.6 9.5 50.3 -22.8 12.6 24 25 A T < + 0 0 0 -3,-2.2 2,-0.3 -4,-0.1 23,-0.0 -0.872 47.8 175.1-106.8 125.0 50.0 -21.5 9.0 25 26 A T > - 0 0 50 -2,-0.5 4,-1.9 1,-0.1 3,-0.3 -0.806 45.6-111.7-121.2 163.1 53.1 -20.9 6.9 26 27 A L H > S+ 0 0 12 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.855 119.8 60.7 -56.2 -36.0 53.8 -19.9 3.3 27 28 A Y H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 103.3 48.9 -60.6 -39.8 55.2 -23.4 2.9 28 29 A D H > S+ 0 0 37 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.913 112.4 48.7 -63.7 -44.0 51.7 -24.8 3.8 29 30 A I H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.939 112.7 46.6 -64.1 -45.4 50.1 -22.5 1.3 30 31 A A H ><>S+ 0 0 1 -4,-3.0 5,-2.3 2,-0.2 3,-0.5 0.937 110.7 53.2 -59.3 -47.4 52.5 -23.4 -1.5 31 32 A S H ><5S+ 0 0 59 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.911 109.7 47.0 -58.8 -46.5 52.2 -27.1 -0.9 32 33 A N H 3<5S+ 0 0 97 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.726 109.8 54.7 -66.8 -23.3 48.4 -27.1 -1.1 33 34 A L T <<5S- 0 0 29 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.294 111.4-122.0 -91.3 8.4 48.6 -25.0 -4.3 34 35 A N T < 5S+ 0 0 162 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.876 73.0 121.9 54.2 38.6 50.8 -27.7 -5.8 35 36 A V S - 0 0 114 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.431 36.4-120.5 -64.9 133.2 57.1 -24.6 -5.3 37 38 A H G > S+ 0 0 72 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.835 106.6 60.7 -30.7 -60.0 57.6 -22.6 -2.1 38 39 A A G > S+ 0 0 67 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.733 89.9 71.2 -52.7 -25.4 59.8 -19.9 -3.7 39 40 A A G X S+ 0 0 31 -3,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.732 88.5 63.2 -70.1 -20.9 57.1 -18.8 -6.1 40 41 A L G X> S+ 0 0 2 -3,-2.0 4,-2.2 -4,-0.4 3,-1.9 0.805 85.7 75.5 -68.2 -27.2 55.0 -17.3 -3.3 41 42 A Y G <4 S+ 0 0 105 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.680 81.1 64.7 -70.7 -20.8 57.6 -14.7 -2.5 42 43 A K G <4 S+ 0 0 127 -3,-0.6 -1,-0.3 -4,-0.3 3,-0.1 0.710 114.7 34.9 -72.5 -18.5 57.0 -12.4 -5.4 43 44 A H T <4 S+ 0 0 61 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.841 132.7 17.7 -96.4 -48.4 53.5 -11.8 -3.9 44 45 A Y < - 0 0 26 -4,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.976 56.1-155.2-136.4 120.8 54.3 -11.9 -0.2 45 46 A R S S- 0 0 210 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.813 83.1 -15.2 -55.1 -36.2 57.7 -11.5 1.5 46 47 A N S > S- 0 0 56 -6,-0.1 4,-1.5 -21,-0.0 3,-0.4 -0.949 76.6 -91.6-163.9 165.5 56.5 -13.5 4.5 47 48 A K H > S+ 0 0 59 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.756 116.0 66.5 -62.5 -25.6 53.2 -14.7 6.1 48 49 A E H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 103.7 44.3 -65.2 -44.7 53.0 -11.5 8.3 49 50 A D H > S+ 0 0 77 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.913 116.1 48.3 -63.0 -40.4 52.4 -9.3 5.2 50 51 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.917 111.4 49.3 -64.9 -43.3 50.0 -11.9 3.8 51 52 A F H X S+ 0 0 11 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.901 109.2 53.4 -61.4 -42.0 48.1 -12.1 7.2 52 53 A Q H X S+ 0 0 74 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 108.7 48.7 -61.4 -40.1 47.9 -8.3 7.3 53 54 A K H X S+ 0 0 32 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.864 110.7 51.4 -69.3 -33.5 46.3 -8.2 3.8 54 55 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.959 111.4 46.3 -64.6 -49.9 43.8 -10.9 4.8 55 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 113.9 47.9 -60.7 -46.5 42.7 -9.1 7.9 56 57 A L H X S+ 0 0 73 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.855 111.0 52.1 -60.8 -36.7 42.4 -5.8 6.1 57 58 A R H X S+ 0 0 54 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.932 110.9 46.5 -67.6 -45.3 40.4 -7.5 3.3 58 59 A W H X S+ 0 0 19 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 114.3 48.3 -62.5 -43.6 38.0 -9.0 5.8 59 60 A L H X S+ 0 0 17 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.906 112.4 49.2 -63.4 -41.4 37.7 -5.7 7.6 60 61 A E H >< S+ 0 0 90 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.944 115.3 42.1 -63.9 -48.8 37.1 -3.9 4.3 61 62 A E H >< S+ 0 0 116 -4,-2.8 3,-0.8 1,-0.2 4,-0.2 0.857 112.7 51.5 -70.1 -39.6 34.4 -6.3 3.0 62 63 A T H 3< S+ 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.597 113.5 46.4 -75.0 -7.6 32.5 -6.7 6.2 63 64 A S T XX S+ 0 0 2 -4,-0.7 4,-1.5 -3,-0.7 3,-0.8 0.419 77.5 102.9-112.8 -0.3 32.3 -2.9 6.7 64 65 A R H <> S+ 0 0 141 -3,-0.8 4,-1.4 -4,-0.4 -1,-0.1 0.786 81.6 51.9 -57.1 -34.1 31.2 -1.8 3.2 65 66 A E H 3> S+ 0 0 143 -4,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.801 104.1 56.2 -74.8 -32.0 27.6 -1.3 4.2 66 67 A I H <4 S+ 0 0 1 -3,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.899 115.3 38.6 -64.4 -41.1 28.5 0.9 7.2 67 68 A F H < S+ 0 0 67 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.718 115.6 50.6 -84.3 -21.8 30.4 3.3 4.9 68 69 A A H < S+ 0 0 76 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.538 83.4 131.7 -91.6 -4.3 28.0 3.1 1.9 69 70 A W < - 0 0 54 -4,-0.7 2,-0.3 -3,-0.2 -3,-0.1 -0.146 34.8-171.7 -59.9 131.7 25.0 3.9 4.1 70 71 A T - 0 0 110 14,-0.0 2,-0.1 61,-0.0 -2,-0.1 -0.931 18.6-126.4-117.6 150.1 22.5 6.6 3.1 71 72 A Q - 0 0 65 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.480 31.6-102.6 -83.2 161.1 19.6 8.0 5.0 72 73 A D > - 0 0 116 -2,-0.1 3,-1.6 1,-0.1 -1,-0.1 -0.596 46.6 -93.6 -79.6 146.0 16.0 8.2 3.7 73 74 A A T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.303 113.2 36.7 -54.1 143.8 14.8 11.5 2.5 74 75 A G T 3 S+ 0 0 84 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.468 83.7 127.0 87.1 1.4 13.1 13.3 5.3 75 76 A Q < - 0 0 45 -3,-1.6 -1,-0.3 4,-0.0 -4,-0.1 -0.749 58.0-127.7 -86.9 139.6 15.3 12.2 8.1 76 77 A T > - 0 0 67 -2,-0.4 4,-2.9 -3,-0.1 5,-0.2 -0.506 28.3-108.5 -73.5 155.4 16.8 14.8 10.4 77 78 A P H > S+ 0 0 72 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.860 121.2 53.2 -55.3 -34.5 20.6 14.6 10.8 78 79 A D H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.906 109.5 45.6 -66.4 -44.5 19.9 13.4 14.4 79 80 A D H > S+ 0 0 73 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 114.3 49.9 -65.9 -41.3 17.6 10.6 13.4 80 81 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.961 108.8 51.6 -61.1 -50.0 20.1 9.6 10.7 81 82 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 50,-0.3 5,-0.2 0.920 111.7 48.2 -50.8 -48.4 22.9 9.6 13.2 82 83 A H H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.934 112.9 46.5 -56.1 -50.5 20.9 7.3 15.4 83 84 A D H X S+ 0 0 55 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.899 113.0 50.0 -66.1 -37.5 20.0 4.9 12.6 84 85 A W H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.934 109.9 49.4 -65.8 -45.0 23.6 4.8 11.4 85 86 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.907 110.9 50.8 -60.0 -41.9 25.0 4.1 14.9 86 87 A W H X S+ 0 0 83 -4,-2.3 4,-3.5 -5,-0.2 -1,-0.2 0.927 109.9 50.2 -60.2 -44.1 22.5 1.3 15.3 87 88 A L H X S+ 0 0 29 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.905 109.6 50.6 -61.0 -44.6 23.5 -0.2 11.9 88 89 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.943 115.2 43.3 -55.5 -50.0 27.2 -0.0 12.9 89 90 A A H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 115.6 48.4 -61.7 -46.9 26.3 -1.8 16.1 90 91 A D H X S+ 0 0 43 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.862 109.1 53.7 -62.6 -38.3 24.0 -4.3 14.4 91 92 A T H X S+ 0 0 24 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.934 109.9 45.5 -67.4 -43.8 26.6 -5.0 11.7 92 93 A K H X S+ 0 0 25 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.859 115.7 48.5 -66.7 -36.6 29.4 -5.9 14.2 93 94 A K H X S+ 0 0 52 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.945 110.7 49.1 -69.7 -47.6 26.9 -8.0 16.2 94 95 A K H >X S+ 0 0 127 -4,-2.8 4,-2.5 1,-0.2 3,-0.7 0.940 110.7 50.5 -54.5 -50.6 25.5 -9.9 13.2 95 96 A R H 3X S+ 0 0 96 -4,-2.3 4,-2.9 1,-0.3 8,-0.2 0.872 105.5 56.3 -58.1 -40.8 29.0 -10.7 11.9 96 97 A Y H 3< S+ 0 0 28 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.827 112.4 44.2 -57.6 -34.0 30.1 -12.1 15.3 97 98 A K H << S+ 0 0 63 -4,-1.3 3,-0.4 -3,-0.7 -2,-0.2 0.902 122.7 32.1 -81.3 -44.1 27.1 -14.4 15.1 98 99 A T H < S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.691 131.6 29.7 -89.3 -18.9 27.5 -15.7 11.5 99 100 A D S X S+ 0 0 32 -4,-2.9 4,-3.2 -5,-0.3 5,-0.2 -0.203 77.0 148.5-132.3 39.1 31.2 -15.5 11.0 100 101 A R H > + 0 0 94 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.848 65.1 49.4 -52.3 -51.7 32.3 -16.2 14.5 101 102 A K H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 119.6 36.4 -58.5 -51.2 35.5 -18.1 14.0 102 103 A X H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.835 111.9 61.1 -72.1 -35.2 37.0 -15.6 11.6 103 104 A F H X S+ 0 0 3 -4,-3.2 4,-2.4 -8,-0.2 5,-0.4 0.964 108.4 44.4 -49.5 -51.5 35.5 -12.7 13.4 104 105 A L H X S+ 0 0 82 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.927 116.3 45.9 -63.1 -44.3 37.5 -13.7 16.5 105 106 A L H X S+ 0 0 34 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.938 119.6 36.4 -67.4 -49.4 40.7 -14.3 14.6 106 107 A Y H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.870 116.9 51.7 -75.3 -34.6 40.7 -11.1 12.5 107 108 A T H X S+ 0 0 22 -4,-2.4 4,-2.2 -5,-0.5 5,-0.2 0.941 110.3 49.4 -72.1 -41.6 39.3 -8.9 15.1 108 109 A D H X S+ 0 0 110 -4,-2.1 4,-1.3 -5,-0.4 -1,-0.2 0.925 114.1 47.7 -50.6 -46.6 41.9 -10.0 17.5 109 110 A Y H < S+ 0 0 56 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.872 110.7 48.4 -72.2 -39.4 44.6 -9.4 14.9 110 111 A I H >< S+ 0 0 10 -4,-2.8 3,-2.2 1,-0.2 7,-0.5 0.932 106.8 56.2 -68.2 -43.9 43.4 -6.0 13.9 111 112 A E H 3< S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.851 101.2 58.3 -57.5 -35.1 43.2 -4.7 17.5 112 113 A Q T 3< S+ 0 0 154 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.417 94.0 80.1 -74.8 2.7 46.8 -5.6 18.1 113 114 A N <> - 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0 0 39 -6,-0.3 3,-1.9 -5,-0.2 4,-0.4 -0.725 49.3-138.4 -94.0 88.3 28.5 17.3 13.7 135 136 A T T 3 S- 0 0 113 -2,-1.1 -5,-0.0 1,-0.3 0, 0.0 -0.175 76.0 -10.1 -53.9 125.3 31.8 18.8 12.7 136 137 A N T 3 S+ 0 0 135 1,-0.1 4,-0.3 -11,-0.1 -1,-0.3 0.466 108.0 99.8 69.4 2.8 34.8 17.4 14.5 137 138 A Q <> + 0 0 65 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.446 51.2 99.6 -93.1 -1.6 32.7 15.5 17.0 138 139 A G H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.864 81.5 46.6 -56.5 -45.1 33.1 12.2 15.1 139 140 A N H > S+ 0 0 82 -3,-0.2 4,-3.1 2,-0.2 5,-0.3 0.975 111.8 51.0 -57.7 -56.4 35.8 10.8 17.3 140 141 A A H > S+ 0 0 2 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.872 112.3 47.9 -49.2 -42.8 33.9 11.7 20.4 141 142 A I H X S+ 0 0 2 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.941 112.2 46.8 -69.4 -47.3 30.8 10.0 19.1 142 143 A I H >< S+ 0 0 5 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.934 114.7 47.8 -59.3 -45.5 32.6 6.8 18.0 143 144 A T H >< S+ 0 0 14 -4,-3.1 3,-2.0 1,-0.2 178,-0.3 0.902 104.6 59.2 -63.9 -40.5 34.4 6.5 21.3 144 145 A A H 3< S+ 0 0 1 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.2 0.813 110.2 44.7 -57.1 -30.2 31.2 7.1 23.3 145 146 A F T XX S+ 0 0 4 -4,-1.3 3,-2.5 -3,-0.5 4,-0.7 0.253 75.4 121.7 -99.4 11.5 29.8 4.0 21.6 146 147 A T H X> + 0 0 9 -3,-2.0 4,-2.6 1,-0.3 3,-1.1 0.829 69.0 59.8 -38.9 -48.5 32.9 1.9 22.1 147 148 A Y H 34 S+ 0 0 29 170,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.806 104.8 50.7 -53.6 -29.3 30.9 -0.7 24.0 148 149 A F H <4 S+ 0 0 2 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.620 124.2 20.3 -93.5 -11.0 28.7 -1.4 21.0 149 150 A H H << S+ 0 0 20 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.1 0.579 89.1 102.0-131.8 -21.2 31.3 -1.9 18.3 150 151 A N S >< S- 0 0 10 -4,-2.6 3,-1.5 -5,-0.3 4,-0.1 -0.551 70.3-134.7 -70.2 130.0 34.6 -2.8 19.8 151 152 A P G > S+ 0 0 20 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.708 95.0 78.0 -63.5 -19.0 34.9 -6.6 19.4 152 153 A Y G 3 S+ 0 0 66 1,-0.3 3,-0.5 2,-0.1 -5,-0.1 0.896 99.2 44.7 -54.6 -37.2 36.2 -7.1 22.9 153 154 A F G X S+ 0 0 1 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.248 80.6 108.5 -90.8 8.1 32.6 -6.8 24.1 154 155 A A G X S+ 0 0 2 -3,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.846 73.2 57.1 -58.4 -38.5 31.0 -9.0 21.4 155 156 A S G 3 S+ 0 0 81 -3,-0.5 -1,-0.3 -4,-0.3 3,-0.2 0.546 104.7 55.5 -73.1 -2.5 30.2 -11.8 23.7 156 157 A R G X S+ 0 0 46 -3,-1.8 3,-1.0 1,-0.1 -1,-0.3 0.403 81.1 89.3-105.6 1.0 28.1 -9.4 25.8 157 158 A W T < S+ 0 0 1 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 0.556 83.3 54.3 -82.1 -8.0 25.9 -8.2 23.0 158 159 A E T 3 S+ 0 0 126 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.357 83.8 113.4-105.0 6.6 23.2 -10.8 23.4 159 160 A Q S X S- 0 0 75 -3,-1.0 3,-1.4 1,-0.1 2,-0.1 -0.338 81.4 -84.9 -73.6 156.8 22.7 -10.1 27.1 160 161 A A T 3 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.380 113.9 30.4 -59.3 135.0 19.4 -8.7 28.5 161 162 A G T 3> S+ 0 0 42 -3,-0.1 4,-2.8 -2,-0.1 5,-0.3 0.401 75.1 125.8 97.3 -1.7 19.3 -4.9 28.2 162 163 A Y H <> S+ 0 0 16 -3,-1.4 4,-2.7 2,-0.2 5,-0.1 0.949 78.4 42.9 -53.9 -54.1 21.5 -4.4 25.1 163 164 A V H > S+ 0 0 77 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.940 115.8 47.2 -59.0 -52.7 18.9 -2.4 23.3 164 165 A D H > S+ 0 0 106 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.875 112.1 51.2 -59.3 -37.2 17.9 -0.3 26.2 165 166 A L H X S+ 0 0 17 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.940 110.5 48.9 -68.1 -43.0 21.5 0.4 27.0 166 167 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.955 114.9 44.4 -55.5 -52.6 22.1 1.4 23.4 167 168 A E H X S+ 0 0 59 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.906 112.6 52.5 -58.6 -44.5 19.0 3.7 23.6 168 169 A D H X S+ 0 0 77 -4,-3.4 4,-1.0 2,-0.2 -2,-0.2 0.920 110.4 47.1 -57.6 -47.5 20.1 5.0 27.1 169 170 A V H >X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 3,-0.6 0.906 110.6 54.1 -60.1 -39.3 23.6 5.9 25.8 170 171 A W H 3X S+ 0 0 4 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.918 99.6 60.9 -64.7 -40.1 22.0 7.6 22.7 171 172 A Q H 3< S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 104.5 49.9 -55.0 -32.7 19.9 9.8 24.9 172 173 A I H << S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.902 117.2 37.1 -73.8 -40.4 23.0 11.3 26.5 173 174 A V H < 0 0 4 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.803 360.0 360.0 -85.2 -31.5 24.8 12.1 23.2 174 175 A K < 0 0 119 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 0.919 360.0 360.0 -44.2 360.0 21.7 13.1 21.2 175 !* 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 0.0 176 3 B R 0 0 146 0, 0.0 2,-0.4 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 -81.3 49.3 -21.3 63.6 177 4 B L + 0 0 50 4,-0.0 2,-0.4 36,-0.0 3,-0.1 -0.933 360.0 178.2-120.1 134.6 47.0 -20.4 60.6 178 5 B S > - 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0 0 18 -4,-1.4 4,-2.0 -5,-0.4 3,-0.2 0.182 29.3 -75.8 84.7 159.3 49.7 -17.6 37.7 195 22 B X H 4 S+ 0 0 24 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.832 119.5 62.5 -62.0 -38.5 46.2 -18.9 38.7 196 23 B E H 4 S+ 0 0 95 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.942 115.0 30.3 -54.0 -52.7 46.0 -21.7 36.1 197 24 B K H < S+ 0 0 72 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.867 97.3 97.5 -78.5 -39.5 49.0 -23.6 37.4 198 25 B T < - 0 0 0 -4,-2.0 2,-0.2 -5,-0.1 -8,-0.0 -0.291 53.4-176.1 -58.1 126.7 48.8 -22.7 41.1 199 26 B T > - 0 0 52 1,-0.1 4,-1.0 -2,-0.0 -2,-0.1 -0.698 40.6-110.5-115.1 172.4 47.0 -25.3 43.2 200 27 B L H >> S+ 0 0 25 -2,-0.2 4,-3.0 2,-0.2 3,-0.7 0.914 120.5 59.9 -68.5 -42.1 46.1 -25.5 46.9 201 28 B Y H 3> S+ 0 0 165 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.932 101.7 54.2 -43.9 -51.8 48.7 -28.2 47.3 202 29 B D H 3> S+ 0 0 38 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.829 112.9 43.6 -52.9 -35.5 51.2 -25.6 46.1 203 30 B I H S+ 0 0 5 -4,-3.0 5,-1.1 1,-0.2 4,-0.9 0.936 115.7 47.2 -61.5 -47.5 49.8 -25.6 51.8 205 32 B S H <5S+ 0 0 58 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.851 110.7 52.7 -59.8 -36.4 53.2 -26.9 51.0 206 33 B N H <5S+ 0 0 80 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.756 114.1 41.2 -75.1 -24.8 54.5 -23.4 50.6 207 34 B L H <5S- 0 0 41 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.537 105.5-136.4 -89.3 -12.2 53.1 -22.5 54.1 208 35 B N T <5 + 0 0 145 -4,-0.9 -3,-0.2 1,-0.3 2,-0.1 0.560 58.7 139.2 61.8 9.9 54.5 -25.9 55.2 209 36 B V < - 0 0 30 -5,-1.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.470 62.7 -91.7 -75.2 152.6 51.2 -26.3 57.0 210 37 B T - 0 0 102 -2,-0.1 -1,-0.1 -3,-0.1 4,-0.1 0.002 42.4-110.5 -56.8 174.3 49.4 -29.6 56.9 211 38 B H S > S+ 0 0 87 1,-0.2 3,-3.8 2,-0.2 4,-0.4 0.992 104.0 37.7 -79.9 -80.5 46.8 -30.2 54.2 212 39 B A T 3> S+ 0 0 60 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.649 99.3 82.0 -53.0 -15.3 43.2 -30.4 55.2 213 40 B A T 34 S+ 0 0 32 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.726 90.4 54.0 -59.2 -19.3 44.1 -27.6 57.7 214 41 B L T X> S+ 0 0 0 -3,-3.8 4,-2.4 1,-0.2 3,-1.2 0.787 93.2 68.3 -84.6 -30.7 43.6 -25.5 54.6 215 42 B Y T 34 S+ 0 0 105 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.2 0.693 86.3 69.6 -63.9 -20.6 40.1 -26.8 53.9 216 43 B K T 3< S+ 0 0 110 -4,-0.7 -1,-0.3 -3,-0.1 3,-0.2 0.887 113.1 28.6 -60.4 -37.9 38.9 -25.0 57.0 217 44 B H T <4 S+ 0 0 72 -3,-1.2 2,-0.4 -4,-0.3 -2,-0.2 0.880 137.5 11.7 -93.2 -44.7 39.4 -21.7 55.2 218 45 B Y < - 0 0 20 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.1 -0.910 47.4-174.6-142.7 112.6 38.9 -22.7 51.5 219 46 B R S S+ 0 0 83 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 0.427 82.9 32.6 -79.7 2.4 37.5 -25.9 50.2 220 47 B N S > S- 0 0 76 1,-0.1 4,-0.9 -5,-0.0 -1,-0.0 -0.985 71.1-133.1-157.0 153.0 38.3 -24.7 46.7 221 48 B K H > S+ 0 0 45 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.757 104.2 59.6 -87.4 -24.3 40.9 -22.6 44.9 222 49 B E H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.852 102.7 55.7 -70.1 -32.2 38.4 -20.6 42.8 223 50 B D H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 108.7 47.0 -60.2 -47.6 37.0 -19.4 46.1 224 51 B L H X S+ 0 0 2 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.897 110.4 51.5 -62.9 -43.2 40.4 -18.2 47.2 225 52 B F H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.874 107.8 52.3 -64.5 -38.1 41.1 -16.4 43.9 226 53 B Q H X S+ 0 0 66 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.929 109.1 50.4 -63.7 -44.6 37.8 -14.5 44.0 227 54 B K H X S+ 0 0 59 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.935 111.8 46.8 -57.2 -50.3 38.7 -13.3 47.5 228 55 B L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.864 113.9 49.9 -58.5 -39.0 42.1 -12.1 46.4 229 56 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.955 111.6 46.4 -65.1 -53.5 40.5 -10.4 43.4 230 57 B L H X S+ 0 0 78 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.932 111.4 52.4 -51.0 -53.6 37.9 -8.6 45.4 231 58 B R H X S+ 0 0 73 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.881 111.0 47.5 -53.4 -42.5 40.4 -7.5 48.0 232 59 B W H X S+ 0 0 16 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.909 110.1 51.4 -71.2 -40.8 42.6 -6.1 45.2 233 60 B L H X S+ 0 0 12 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.921 106.0 56.2 -58.6 -45.6 39.7 -4.3 43.5 234 61 B E H X S+ 0 0 104 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.934 110.9 43.0 -51.2 -51.3 38.7 -2.6 46.9 235 62 B E H < S+ 0 0 102 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.882 113.7 51.7 -67.1 -40.6 42.1 -1.1 47.4 236 63 B T H < S+ 0 0 8 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.957 120.9 31.8 -56.8 -52.2 42.4 0.0 43.8 237 64 B S H >X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 3,-0.7 0.380 86.1 103.8 -94.0 1.6 39.0 1.8 43.7 238 65 B R H 3X S+ 0 0 132 -4,-1.0 4,-1.8 -3,-0.3 3,-0.3 0.895 84.7 47.7 -52.3 -47.4 38.8 3.0 47.3 239 66 B E H 3> S+ 0 0 126 -4,-0.4 4,-1.5 -3,-0.4 -1,-0.3 0.796 108.1 57.8 -64.1 -29.5 39.6 6.6 46.4 240 67 B I H <4 S+ 0 0 1 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.5 38.3 -72.1 -34.1 37.1 6.4 43.6 241 68 B F H < S+ 0 0 66 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.725 115.6 53.7 -89.9 -19.0 34.2 5.6 45.9 242 69 B A H < S+ 0 0 75 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.760 83.6 110.0 -81.6 -27.6 35.4 7.9 48.7 243 70 B W < + 0 0 62 -4,-1.5 2,-0.3 -5,-0.2 -3,-0.0 -0.090 40.5 172.3 -54.6 144.5 35.6 11.0 46.5 244 71 B T - 0 0 106 61,-0.0 61,-0.0 14,-0.0 -2,-0.0 -0.984 29.2-101.3-148.5 159.2 33.2 13.8 47.0 245 72 B Q - 0 0 62 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 -0.228 31.0-110.1 -78.6 166.7 32.8 17.4 45.7 246 73 B D > - 0 0 120 1,-0.1 3,-1.9 -2,-0.0 -1,-0.1 -0.658 46.2 -86.0 -90.7 150.4 33.6 20.7 47.3 247 74 B A T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.297 115.5 27.0 -52.5 130.3 30.9 23.2 48.4 248 75 B G T 3 S+ 0 0 77 1,-0.4 -1,-0.2 -3,-0.1 2,-0.1 0.126 87.2 127.7 100.7 -21.8 29.8 25.4 45.5 249 76 B Q < - 0 0 69 -3,-1.9 -1,-0.4 1,-0.1 -4,-0.1 -0.449 60.8-123.3 -63.1 139.7 30.7 22.9 42.8 250 77 B T > - 0 0 68 -2,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.631 21.6-117.3 -74.4 142.7 27.9 22.2 40.3 251 78 B P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.781 115.4 58.1 -49.9 -33.5 27.0 18.5 40.0 252 79 B D H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.962 108.2 43.9 -63.8 -51.8 28.0 18.7 36.3 253 80 B D H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 113.6 51.6 -57.6 -39.5 31.6 19.8 37.2 254 81 B A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.885 108.4 50.7 -71.0 -38.6 31.7 17.2 40.0 255 82 B L H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.933 110.6 51.2 -59.9 -44.0 30.7 14.5 37.6 256 83 B H H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.949 113.0 43.9 -55.8 -51.7 33.5 15.8 35.3 257 84 B D H X S+ 0 0 67 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.838 113.7 50.7 -64.0 -38.9 36.1 15.6 38.0 258 85 B W H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 108.6 51.3 -68.3 -43.9 34.9 12.2 39.3 259 86 B L H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.907 110.8 49.8 -57.1 -42.0 35.0 10.8 35.8 260 87 B W H X S+ 0 0 38 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.880 110.5 49.5 -63.3 -40.6 38.6 12.1 35.5 261 88 B L H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.877 109.1 52.9 -66.0 -39.6 39.6 10.5 38.8 262 89 B L H X S+ 0 0 4 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.904 114.9 41.0 -61.4 -41.2 38.0 7.3 37.7 263 90 B A H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.938 114.5 50.1 -74.3 -46.7 40.2 7.3 34.6 264 91 B D H X S+ 0 0 49 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.807 109.1 54.2 -60.0 -32.6 43.4 8.6 36.2 265 92 B T H X S+ 0 0 26 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.943 109.8 44.0 -71.9 -47.5 43.1 5.9 38.8 266 93 B K H X S+ 0 0 12 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.949 114.5 52.3 -60.6 -45.4 42.8 3.0 36.4 267 94 B K H X S+ 0 0 38 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.913 111.3 44.2 -57.2 -47.7 45.7 4.5 34.4 268 95 B K H X S+ 0 0 102 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.848 109.0 56.6 -71.8 -32.4 48.1 4.9 37.3 269 96 B R H X S+ 0 0 61 -4,-2.1 4,-2.0 2,-0.2 8,-0.2 0.870 105.9 52.2 -61.2 -37.6 47.4 1.5 38.7 270 97 B Y H < S+ 0 0 32 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.7 40.0 -67.9 -38.8 48.3 0.0 35.3 271 98 B K H < S+ 0 0 116 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.888 112.1 56.8 -72.3 -41.6 51.6 1.9 35.4 272 99 B T H < S- 0 0 94 -4,-3.3 -2,-0.2 1,-0.3 2,-0.2 0.840 131.3 -1.5 -65.7 -42.4 52.2 1.3 39.2 273 100 B D X + 0 0 48 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.3 -0.647 63.3 174.1-150.8 100.5 52.1 -2.5 38.9 274 101 B R H > S+ 0 0 133 -3,-0.4 4,-3.8 2,-0.2 5,-0.3 0.950 79.1 57.7 -66.8 -51.5 51.4 -4.0 35.5 275 102 B K H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 114.2 37.9 -46.0 -61.0 51.9 -7.7 36.5 276 103 B X H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.889 115.2 54.4 -58.0 -44.4 49.2 -7.5 39.2 277 104 B F H X S+ 0 0 2 -4,-1.9 4,-2.0 -8,-0.2 5,-0.3 0.945 112.4 44.5 -58.0 -47.4 46.9 -5.2 37.1 278 105 B L H X S+ 0 0 80 -4,-3.8 4,-2.8 3,-0.2 -2,-0.2 0.954 115.5 46.5 -58.2 -51.8 47.1 -7.8 34.2 279 106 B L H X S+ 0 0 37 -4,-2.7 4,-1.4 -5,-0.3 -2,-0.2 0.873 119.7 36.7 -65.0 -42.3 46.5 -10.8 36.5 280 107 B Y H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.881 118.3 49.9 -79.9 -39.1 43.6 -9.5 38.5 281 108 B T H X S+ 0 0 15 -4,-2.0 4,-2.3 -5,-0.5 5,-0.3 0.930 109.4 52.8 -60.4 -47.0 42.0 -7.6 35.6 282 109 B D H X S+ 0 0 101 -4,-2.8 4,-1.2 -5,-0.3 -1,-0.2 0.929 113.4 44.2 -53.4 -48.1 42.3 -10.7 33.4 283 110 B Y H < S+ 0 0 28 -4,-1.4 -1,-0.2 -5,-0.2 4,-0.2 0.847 112.9 49.4 -67.9 -37.8 40.5 -12.7 36.1 284 111 B I H >< S+ 0 0 12 -4,-2.3 3,-1.4 1,-0.2 7,-0.5 0.888 105.0 55.5 -75.0 -42.3 37.7 -10.2 36.9 285 112 B E H 3< S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.891 107.8 50.9 -55.3 -41.4 36.6 -9.5 33.4 286 113 B Q T 3< S+ 0 0 151 -4,-1.2 2,-0.8 -5,-0.3 -1,-0.3 0.512 95.2 80.5 -77.5 -4.3 36.0 -13.2 32.9 287 114 B N X> - 0 0 30 -3,-1.4 4,-2.0 -4,-0.2 3,-0.7 -0.780 67.7-163.8-105.8 91.2 33.9 -13.4 36.1 288 115 B E H 3> S+ 0 0 135 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.788 85.0 45.3 -44.9 -49.1 30.5 -12.0 35.1 289 116 B E H 3> S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.876 110.8 54.1 -68.4 -38.9 29.1 -11.3 38.5 290 117 B L H <> S+ 0 0 8 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.920 115.1 39.1 -60.9 -45.6 32.3 -9.6 39.7 291 118 B V H X S+ 0 0 15 -4,-2.0 4,-3.4 -7,-0.5 5,-0.4 0.957 113.1 55.0 -69.9 -48.9 32.3 -7.2 36.8 292 119 B K H X S+ 0 0 96 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.895 111.0 46.9 -49.2 -44.2 28.5 -6.7 36.8 293 120 B N H X S+ 0 0 81 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.965 112.6 48.6 -64.9 -50.6 28.8 -5.7 40.5 294 121 B H H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 113.8 44.1 -58.2 -45.3 31.7 -3.4 39.9 295 122 B V H X S+ 0 0 48 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.904 112.6 54.0 -72.1 -30.9 30.2 -1.5 37.0 296 123 B A H X S+ 0 0 40 -4,-2.0 4,-1.9 -5,-0.4 -2,-0.2 0.870 108.4 49.8 -63.9 -37.1 26.9 -1.4 38.9 297 124 B H H X S+ 0 0 90 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.946 110.0 49.9 -64.4 -47.6 28.8 0.2 41.8 298 125 B L H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.814 108.2 54.8 -58.4 -33.0 30.4 2.8 39.6 299 126 B A H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.905 107.7 48.5 -71.3 -42.6 27.0 3.6 38.1 300 127 B Q H X S+ 0 0 99 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.952 111.7 49.8 -57.1 -52.1 25.6 4.3 41.6 301 128 B K H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.912 107.7 54.0 -55.6 -45.0 28.5 6.5 42.4 302 129 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 6,-0.4 0.904 112.9 43.4 -59.5 -40.8 28.1 8.4 39.1 303 130 B E H X S+ 0 0 51 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.906 111.0 54.2 -68.9 -40.4 24.4 9.1 40.0 304 131 B E H < S+ 0 0 141 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 118.4 36.3 -63.7 -35.1 25.3 10.0 43.6 305 132 B V H < S+ 0 0 16 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.898 126.3 35.0 -80.3 -44.7 27.8 12.6 42.3 306 133 B S H < S- 0 0 6 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.762 87.8-137.7 -88.9 -27.1 26.0 13.8 39.2 307 134 B G < + 0 0 55 -4,-2.7 2,-1.6 -5,-0.3 -4,-0.1 0.523 57.5 137.6 76.1 6.5 22.3 13.7 40.3 308 135 B R > - 0 0 36 -6,-0.4 3,-2.0 -5,-0.1 4,-0.3 -0.620 50.4-144.9 -85.4 85.9 21.4 12.3 36.9 309 136 B T T 3 S+ 0 0 106 -2,-1.6 -5,-0.0 1,-0.3 -1,-0.0 -0.240 72.9 1.9 -63.0 134.8 19.0 9.7 38.2 310 137 B N T 3 S+ 0 0 142 1,-0.1 4,-0.3 -11,-0.1 -1,-0.3 0.357 109.2 93.3 74.1 -2.3 18.9 6.4 36.2 311 138 B Q <> + 0 0 67 -3,-2.0 4,-2.3 1,-0.1 -2,-0.2 0.402 52.9 97.1-101.0 3.8 21.6 7.5 33.9 312 139 B G H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.956 82.4 47.7 -59.6 -58.5 24.5 6.1 35.8 313 140 B N H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 113.7 50.6 -50.9 -42.2 24.9 2.9 33.9 314 141 B A H > S+ 0 0 3 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.892 108.4 51.5 -66.0 -38.2 24.7 4.9 30.6 315 142 B I H X S+ 0 0 5 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.919 112.3 44.3 -66.8 -44.9 27.4 7.4 31.8 316 143 B I H >< S+ 0 0 3 -4,-2.3 3,-0.8 2,-0.2 4,-0.5 0.917 112.9 53.3 -59.0 -45.9 29.9 4.6 32.7 317 144 B T H >< S+ 0 0 10 -4,-2.3 3,-1.3 -5,-0.3 -170,-0.4 0.923 105.3 54.7 -58.9 -42.7 29.1 2.8 29.5 318 145 B A H 3< S+ 0 0 1 -4,-2.6 3,-0.3 1,-0.3 -1,-0.3 0.755 112.6 42.4 -60.3 -28.6 29.8 6.0 27.5 319 146 B F T XX S+ 0 0 3 -4,-0.9 3,-3.2 -3,-0.8 4,-0.6 0.341 76.0 121.9-103.4 6.0 33.3 6.3 29.1 320 147 B T H X> + 0 0 7 -3,-1.3 4,-2.8 -4,-0.5 3,-1.0 0.761 67.0 63.0 -37.7 -42.6 34.1 2.6 28.8 321 148 B Y H 34 S+ 0 0 33 -178,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.822 104.0 49.7 -56.3 -30.6 37.2 3.4 26.7 322 149 B F H <4 S+ 0 0 2 -3,-3.2 -1,-0.2 1,-0.1 -2,-0.2 0.610 124.0 22.0 -91.3 -13.4 38.7 5.2 29.6 323 150 B H H << S+ 0 0 22 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.548 88.4 104.3-130.1 -15.1 38.2 2.7 32.4 324 151 B N >< - 0 0 12 -4,-2.8 3,-2.0 -5,-0.2 4,-0.3 -0.575 67.7-138.1 -72.0 129.4 37.9 -0.8 30.9 325 152 B P G > S+ 0 0 22 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.736 96.5 76.1 -64.8 -19.9 41.2 -2.5 31.5 326 153 B Y G 3 S+ 0 0 66 1,-0.2 3,-0.3 2,-0.1 -5,-0.1 0.826 98.9 47.7 -55.4 -28.8 41.1 -4.0 27.9 327 154 B F G X S+ 0 0 2 -3,-2.0 3,-2.5 -7,-0.2 4,-0.5 0.550 78.5 109.4 -91.4 -8.2 42.1 -0.4 26.9 328 155 B A G X S+ 0 0 6 -3,-1.3 3,-2.0 -4,-0.3 4,-0.2 0.788 71.2 57.6 -33.2 -57.8 45.0 0.1 29.4 329 156 B S G 3 S+ 0 0 84 -4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.467 104.2 55.6 -65.8 1.0 47.9 -0.0 27.0 330 157 B R G X S+ 0 0 32 -3,-2.5 3,-2.8 1,-0.1 -1,-0.3 0.622 78.3 89.2-101.1 -18.3 46.5 2.8 24.9 331 158 B W T < S+ 0 0 3 -3,-2.0 -2,-0.1 -4,-0.5 -1,-0.1 0.586 85.9 55.6 -66.8 -8.3 46.1 5.4 27.7 332 159 B E T 3 S+ 0 0 134 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.500 84.6 109.0 -98.1 -7.2 49.6 6.7 27.0 333 160 B Q S X S- 0 0 66 -3,-2.8 3,-1.0 1,-0.1 2,-0.1 -0.160 82.2 -84.5 -63.9 164.8 49.0 7.4 23.3 334 161 B A T 3 S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.427 111.0 29.7 -70.9 144.8 48.7 10.9 22.0 335 162 B G T 3> S+ 0 0 46 -2,-0.1 4,-2.5 -3,-0.1 -1,-0.2 0.571 76.6 128.9 85.9 9.2 45.4 12.7 22.3 336 163 B Y H <> S+ 0 0 16 -3,-1.0 4,-2.3 2,-0.2 5,-0.2 0.981 76.1 41.6 -56.4 -61.6 44.3 10.9 25.4 337 164 B V H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 116.0 50.8 -53.9 -45.9 43.4 14.0 27.4 338 165 B D H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 108.8 49.5 -62.9 -44.2 41.8 15.6 24.4 339 166 B L H X S+ 0 0 30 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.928 109.4 53.1 -61.2 -46.3 39.6 12.7 23.5 340 167 B F H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.943 110.6 47.1 -52.1 -51.8 38.4 12.5 27.1 341 168 B E H X S+ 0 0 58 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.930 110.7 52.3 -54.4 -47.5 37.4 16.1 27.0 342 169 B D H X S+ 0 0 76 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.865 109.7 48.3 -62.5 -39.2 35.6 15.7 23.6 343 170 B V H >X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 3,-0.8 0.929 111.2 51.2 -62.4 -46.3 33.6 12.8 25.0 344 171 B W H >X S+ 0 0 13 -4,-2.4 4,-2.7 1,-0.3 3,-1.0 0.935 102.7 60.4 -57.1 -48.2 32.7 14.9 28.1 345 172 B Q H 3< S+ 0 0 90 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.806 109.0 43.3 -48.0 -34.8 31.6 17.8 25.9 346 173 B I H << S+ 0 0 13 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.643 117.5 42.7 -92.1 -14.3 28.9 15.5 24.3 347 174 B V H << 0 0 7 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.1 0.792 360.0 360.0 -97.1 -29.8 27.6 13.8 27.4 348 175 B K < 0 0 120 -4,-2.7 -3,-0.1 -5,-0.2 -2,-0.1 0.797 360.0 360.0 -64.5 360.0 27.5 16.8 29.8