==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 30-SEP-07 2RFJ . COMPND 2 MOLECULE: BROMODOMAIN TESTIS-SPECIFIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FILIPPAKOPOULOS,E.SALAH,P.SAVITSKY,T.KEATES,E.PARIZOTTO,J. . 315 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 68.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.5 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 3 4 3 1 0 0 0 0 0 0 2 4 0 0 0 0 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 20 A M 0 0 76 0, 0.0 302,-0.2 0, 0.0 303,-0.1 0.000 360.0 360.0 360.0 360.0 24.5 32.7 41.6 2 ! 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 3 27 A R > 0 0 100 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.2 40.7 20.0 45.9 4 28 A L H > + 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 360.0 48.9 -67.5 -42.7 42.8 22.6 44.0 5 29 A T H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.869 111.1 50.6 -62.0 -39.9 44.8 19.7 42.5 6 30 A N H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 111.2 47.8 -62.3 -47.9 41.4 18.0 41.6 7 31 A Q H X S+ 0 0 67 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.931 115.6 43.6 -57.4 -48.3 40.1 21.1 39.9 8 32 A L H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 112.6 52.9 -68.6 -41.2 43.3 21.7 38.0 9 33 A Q H X S+ 0 0 62 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.887 110.0 48.4 -61.1 -38.8 43.5 17.9 37.1 10 34 A Y H X>S+ 0 0 39 -4,-2.1 5,-2.3 1,-0.2 4,-1.9 0.906 111.2 51.1 -66.1 -39.3 39.9 18.0 35.7 11 35 A L H <>S+ 0 0 0 -4,-2.1 5,-3.4 3,-0.2 -2,-0.2 0.883 118.7 37.6 -63.5 -38.8 40.8 21.1 33.7 12 36 A Q H <>S+ 0 0 61 -4,-2.4 5,-1.3 3,-0.2 -2,-0.2 0.978 124.4 34.7 -76.9 -56.4 43.8 19.4 32.2 13 37 A K H <5S+ 0 0 75 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.646 134.9 17.3 -82.6 -20.9 42.7 15.8 31.7 14 38 A V T X5S+ 0 0 43 -4,-1.9 4,-2.0 -5,-0.3 -3,-0.2 0.740 127.6 36.8-113.7 -62.4 39.1 16.5 30.8 15 39 A V H >>< S+ 0 0 0 -4,-1.9 3,-0.5 2,-0.2 -2,-0.2 0.898 111.1 55.6 -69.7 -45.7 39.1 21.1 23.3 20 44 A W H 3< S+ 0 0 82 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 112.9 42.5 -50.2 -46.8 42.6 20.0 22.2 21 45 A K H 3< S+ 0 0 115 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.595 88.3 109.7 -83.2 -9.5 41.0 17.0 20.4 22 46 A H S X< S- 0 0 57 -4,-0.7 3,-1.5 -3,-0.5 4,-0.2 -0.333 77.5-121.7 -67.4 147.8 38.1 18.9 18.9 23 47 A S T 3 S+ 0 0 89 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.637 108.8 52.8 -68.4 -13.1 38.3 19.4 15.1 24 48 A F T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -5,-0.1 73,-0.1 0.223 81.8 91.0-103.4 12.1 38.1 23.2 15.4 25 49 A S X + 0 0 5 -3,-1.5 3,-2.3 1,-0.2 26,-0.2 0.676 58.5 90.2 -84.0 -13.4 40.9 23.7 17.9 26 50 A W G > S+ 0 0 75 -3,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.800 80.8 57.2 -57.7 -34.7 43.7 24.2 15.4 27 51 A P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.599 108.3 51.0 -64.3 -11.1 43.3 28.0 15.2 28 52 A F G < S+ 0 0 2 -3,-2.3 23,-3.4 -4,-0.1 24,-0.4 0.066 103.0 75.7-115.2 16.5 43.9 28.0 18.9 29 53 A Q S < S- 0 0 36 -3,-1.4 -9,-0.0 21,-0.2 15,-0.0 -0.901 77.8-105.0-124.7 156.1 47.0 25.9 18.8 30 54 A R S S+ 0 0 51 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.987 91.2 39.2-128.7 142.2 50.6 26.6 17.8 31 55 A P S S- 0 0 117 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 0.614 83.4-133.9 -74.5 165.7 52.3 25.9 15.5 32 56 A V 0 0 27 -2,-0.2 -2,-0.1 1,-0.1 -6,-0.0 -0.792 360.0 360.0 -84.7 122.1 49.6 26.4 12.7 33 57 A D 0 0 139 -2,-0.5 3,-0.3 -7,-0.1 -1,-0.1 0.422 360.0 360.0-127.7 360.0 49.9 23.4 10.4 34 ! 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 35 60 A K 0 0 150 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 62.9 46.6 25.6 2.4 36 61 A L - 0 0 58 -3,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.384 360.0-130.0 -75.1 126.4 46.1 28.5 4.8 37 62 A Q > - 0 0 93 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.451 20.8-119.1 -65.7 148.3 45.8 32.0 3.3 38 63 A L H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 112.2 55.2 -62.0 -42.0 48.1 34.6 4.8 39 64 A P H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.916 112.2 46.7 -54.1 -37.9 45.3 37.0 6.0 40 65 A D H > S+ 0 0 45 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.803 107.3 55.5 -74.7 -35.5 43.9 33.9 7.9 41 66 A Y H X S+ 0 0 24 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.884 109.0 47.8 -58.8 -46.5 47.3 33.0 9.3 42 67 A Y H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.925 107.6 55.9 -60.5 -45.2 47.6 36.5 10.7 43 68 A T H < S+ 0 0 26 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.899 112.6 43.5 -50.8 -46.5 44.0 36.3 12.2 44 69 A I H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.964 116.8 42.9 -61.0 -58.3 45.1 33.1 14.0 45 70 A I H 3< S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.623 95.9 75.2 -76.1 -15.2 48.5 34.3 15.3 46 71 A K T 3< S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.587 76.1 89.1 -72.4 -11.7 47.4 37.8 16.4 47 72 A N < - 0 0 13 -3,-1.1 29,-0.1 -4,-0.2 33,-0.0 -0.818 68.7-157.9 -81.9 114.6 45.7 36.3 19.5 48 73 A P S S+ 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.547 72.1 70.3 -76.3 -8.3 48.4 36.2 22.1 49 74 A M + 0 0 19 26,-0.1 2,-0.3 27,-0.1 -2,-0.1 -0.909 60.9 161.7-106.0 138.2 46.7 33.4 24.1 50 75 A D > - 0 0 16 -2,-0.4 4,-1.4 1,-0.1 3,-0.4 -0.918 54.1 -99.0-145.0 171.1 46.4 29.9 22.9 51 76 A L H > S+ 0 0 0 -23,-3.4 4,-2.6 -2,-0.3 -22,-0.2 0.817 118.2 62.8 -61.7 -31.0 45.6 26.3 24.1 52 77 A N H > S+ 0 0 41 -24,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.895 101.3 49.6 -56.3 -46.2 49.4 25.7 24.2 53 78 A T H > S+ 0 0 42 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.889 113.6 45.7 -63.9 -41.5 50.1 28.3 26.8 54 79 A I H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.934 111.7 52.1 -68.4 -46.2 47.3 26.9 29.0 55 80 A K H X S+ 0 0 62 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.906 111.6 46.8 -54.8 -46.0 48.5 23.3 28.5 56 81 A K H X S+ 0 0 54 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.917 110.1 52.6 -65.0 -41.9 52.1 24.3 29.5 57 82 A R H <>S+ 0 0 66 -4,-1.9 5,-3.1 1,-0.2 6,-0.5 0.889 110.9 47.6 -60.7 -39.3 50.9 26.3 32.6 58 83 A L H ><5S+ 0 0 14 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.811 113.5 47.9 -67.8 -35.0 48.9 23.2 33.7 59 84 A E H 3<5S+ 0 0 89 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.851 114.9 46.1 -73.7 -34.3 51.9 20.9 33.2 60 85 A N T 3<5S- 0 0 119 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.021 110.5-116.2-103.0 23.0 54.3 23.2 35.0 61 86 A K T < 5 + 0 0 127 -3,-0.7 -3,-0.2 1,-0.1 -4,-0.1 0.825 63.9 147.8 51.7 41.1 52.1 23.9 38.0 62 87 A Y < + 0 0 137 -5,-3.1 2,-0.4 -6,-0.2 -4,-0.1 0.809 43.2 81.2 -77.4 -34.6 51.8 27.6 37.1 63 88 A Y - 0 0 14 -6,-0.5 3,-0.1 1,-0.1 -55,-0.1 -0.668 50.7-172.6 -85.6 128.8 48.3 28.3 38.4 64 89 A A S S+ 0 0 81 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.597 81.9 28.4 -86.4 -20.4 47.9 28.9 42.1 65 90 A K S >> S- 0 0 126 1,-0.1 3,-1.2 -58,-0.0 4,-0.7 -0.996 73.6-130.6-140.6 143.8 44.1 28.8 41.6 66 91 A A H >> S+ 0 0 3 -2,-0.3 4,-1.9 1,-0.2 3,-0.6 0.792 109.2 66.3 -59.9 -30.3 41.8 27.0 39.1 67 92 A S H 3> S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.790 93.9 58.8 -60.4 -29.5 40.1 30.4 38.6 68 93 A E H <> S+ 0 0 54 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.781 103.8 51.2 -71.1 -32.1 43.4 31.6 37.1 69 94 A C H - 0 0 76 -2,-0.3 3,-1.8 1,-0.1 6,-0.3 -0.663 33.4-111.6 -90.3 148.5 33.8 40.2 13.1 86 111 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.782 114.4 48.6 -46.5 -39.7 30.7 38.1 14.3 87 112 A G T 3 S+ 0 0 57 4,-0.1 5,-0.1 5,-0.0 0, 0.0 0.669 85.4 121.7 -74.1 -13.3 30.3 36.1 11.0 88 113 A D <> - 0 0 64 -3,-1.8 4,-2.1 1,-0.1 3,-0.5 -0.104 69.0-126.4 -64.3 145.6 34.0 35.2 10.7 89 114 A D H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.863 110.6 53.6 -52.3 -44.8 35.1 31.5 10.6 90 115 A I H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 110.1 50.0 -63.5 -33.3 37.5 31.9 13.5 91 116 A V H > S+ 0 0 5 -3,-0.5 4,-2.4 -6,-0.3 -2,-0.2 0.886 109.8 47.6 -71.2 -42.0 34.7 33.3 15.6 92 117 A L H X S+ 0 0 87 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.851 113.7 49.3 -68.5 -35.6 32.2 30.6 14.8 93 118 A M H X S+ 0 0 8 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.908 110.6 49.3 -68.1 -44.2 34.9 28.0 15.6 94 119 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.902 109.6 54.3 -58.5 -42.5 35.7 29.8 18.9 95 120 A Q H X S+ 0 0 53 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.885 107.4 48.1 -61.0 -41.6 32.0 29.8 19.7 96 121 A A H X S+ 0 0 22 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.907 114.2 47.0 -66.9 -42.4 31.7 26.0 19.2 97 122 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.871 110.2 53.6 -63.0 -36.8 34.8 25.4 21.4 98 123 A E H X S+ 0 0 21 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.863 106.2 51.5 -67.8 -37.8 33.4 27.8 24.0 99 124 A K H X S+ 0 0 114 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.909 112.4 47.1 -61.5 -41.9 30.1 25.8 24.1 100 125 A L H X S+ 0 0 34 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.928 111.6 51.5 -64.8 -47.0 32.1 22.6 24.7 101 126 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.924 111.4 45.8 -52.1 -50.9 34.2 24.4 27.3 102 127 A M H X S+ 0 0 54 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.852 111.7 51.9 -68.5 -34.9 31.2 25.6 29.3 103 128 A Q H X S+ 0 0 111 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.968 114.2 42.6 -63.1 -50.9 29.4 22.2 29.1 104 129 A K H >< S+ 0 0 61 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.894 112.5 53.1 -64.4 -42.0 32.5 20.4 30.5 105 130 A L H >< S+ 0 0 1 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.2 0.904 104.4 58.0 -54.1 -45.6 33.1 23.1 33.1 106 131 A S H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 105.1 50.8 -55.0 -26.5 29.5 22.7 34.2 107 132 A Q T << S+ 0 0 122 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.417 80.8 121.9 -97.1 5.7 30.1 19.0 34.9 108 133 A M S < S- 0 0 19 -3,-1.7 -101,-0.1 -4,-0.3 -3,-0.0 -0.414 76.5 -99.3 -72.3 137.8 33.2 19.6 37.0 109 134 A P 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -99,-0.1 -0.376 360.0 360.0 -58.9 136.4 32.9 18.2 40.5 110 135 A Q 0 0 139 -3,-0.1 -3,-0.0 141,-0.1 -103,-0.0 0.205 360.0 360.0-115.0 360.0 32.0 20.9 43.0 111 !* 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 0.0 112 20 B M 0 0 43 0, 0.0 -19,-0.1 0, 0.0 -76,-0.0 0.000 360.0 360.0 360.0 129.2 39.2 28.0 7.8 113 21 B N 0 0 96 -90,-0.0 -23,-0.0 -20,-0.0 -24,-0.0 -0.833 360.0 360.0-103.2 360.0 37.4 24.7 8.2 114 ! 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 0.0 115 29 B T > 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -56.2 58.5 33.9 -4.4 116 30 B N H > + 0 0 144 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.889 360.0 50.4 -67.5 -40.7 55.2 35.6 -5.4 117 31 B Q H > S+ 0 0 89 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 113.2 45.6 -62.2 -46.1 53.9 35.8 -1.8 118 32 B L H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.805 109.0 55.1 -66.6 -35.5 57.2 37.4 -0.6 119 33 B Q H X S+ 0 0 69 -4,-1.8 4,-3.7 1,-0.2 5,-0.3 0.892 108.3 49.6 -67.0 -39.3 57.3 39.8 -3.5 120 34 B Y H X>S+ 0 0 38 -4,-1.8 4,-2.0 2,-0.2 5,-1.9 0.867 110.7 49.6 -66.2 -38.0 53.8 41.0 -2.6 121 35 B L H <>S+ 0 0 0 -4,-1.5 5,-3.8 3,-0.2 6,-0.3 0.936 120.7 37.1 -65.2 -43.7 54.9 41.5 1.1 122 36 B Q H <>S+ 0 0 70 -4,-2.5 5,-0.9 3,-0.2 -2,-0.2 0.986 125.4 36.2 -67.3 -57.7 58.0 43.4 -0.0 123 37 B K H <5S+ 0 0 63 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.735 134.6 14.8 -80.2 -23.2 56.5 45.3 -2.9 124 38 B V T X5S+ 0 0 44 -4,-2.0 4,-1.0 -5,-0.3 -3,-0.2 0.752 128.9 36.1-118.0 -42.5 52.9 46.1 -1.6 125 39 B V H >< S+ 0 0 0 -4,-1.5 3,-0.6 2,-0.2 -2,-0.2 0.834 110.1 54.3 -76.2 -36.0 53.5 50.6 5.7 130 44 B W H 3< S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.863 111.9 43.6 -67.0 -40.4 56.9 52.2 5.1 131 45 B K T 3< S+ 0 0 172 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.492 87.7 115.4 -80.7 -13.3 55.4 55.2 3.5 132 46 B H S X S- 0 0 52 -3,-0.6 3,-1.9 -4,-0.2 4,-0.2 -0.408 75.1-124.3 -57.8 138.0 52.6 55.5 6.1 133 47 B S T 3 S+ 0 0 103 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.800 109.9 49.3 -47.1 -38.4 52.8 58.8 8.1 134 48 B F T 3 S+ 0 0 87 1,-0.2 -1,-0.3 68,-0.1 72,-0.1 0.209 80.3 94.9 -97.3 18.7 52.9 56.8 11.4 135 49 B S X + 0 0 5 -3,-1.9 3,-2.5 1,-0.2 25,-0.2 0.681 59.6 90.1 -78.1 -15.2 55.6 54.2 10.5 136 50 B W G > S+ 0 0 108 -3,-0.5 3,-1.2 1,-0.3 -1,-0.2 0.799 81.1 54.8 -61.2 -33.5 58.4 56.2 12.1 137 51 B P G 3 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.622 109.3 52.0 -67.6 -8.2 58.1 54.6 15.6 138 52 B F G < S+ 0 0 4 -3,-2.5 22,-3.4 -4,-0.1 23,-0.4 0.155 100.1 78.7-112.9 13.3 58.6 51.3 13.8 139 53 B Q S < S- 0 0 34 -3,-1.2 -9,-0.0 20,-0.2 0, 0.0 -0.852 78.4-106.6-119.1 152.2 61.7 52.3 12.0 140 54 B R S S+ 0 0 53 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.991 92.7 39.0-128.1 140.6 65.4 52.6 13.2 141 55 B P 0 0 126 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.618 360.0 360.0 -71.1 166.0 67.1 54.9 13.8 142 56 B V 0 0 71 -2,-0.2 -2,-0.1 -5,-0.1 -6,-0.0 -0.651 360.0 360.0 -79.0 360.0 64.5 57.0 15.5 143 ! 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 0.0 144 60 B K 0 0 249 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.5 61.1 66.6 19.0 145 61 B L - 0 0 70 1,-0.1 2,-0.1 4,-0.0 -3,-0.0 -0.423 360.0-147.8 -82.4 129.1 61.3 63.3 21.0 146 62 B Q > - 0 0 117 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.464 25.2-114.1 -84.5 156.3 61.3 62.9 24.7 147 63 B L H > S+ 0 0 140 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.850 112.3 54.5 -60.3 -47.2 63.2 60.2 26.6 148 64 B P H > S+ 0 0 93 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.924 116.0 42.0 -50.7 -42.9 60.2 58.3 28.1 149 65 B D H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.780 108.8 56.7 -78.2 -34.5 58.9 58.0 24.5 150 66 B Y H X S+ 0 0 107 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.925 108.5 48.7 -60.5 -44.1 62.2 57.2 23.0 151 67 B Y H X S+ 0 0 151 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.921 107.2 56.2 -60.5 -45.7 62.4 54.2 25.4 152 68 B T H < S+ 0 0 30 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.865 111.7 44.4 -49.2 -42.9 58.8 53.2 24.4 153 69 B I H >< S+ 0 0 6 -4,-1.7 3,-1.4 1,-0.1 -2,-0.2 0.970 116.0 42.0 -66.6 -57.8 60.0 53.1 20.8 154 70 B I H 3< S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.1 0.667 97.7 74.5 -76.6 -13.4 63.3 51.2 21.1 155 71 B K T 3< S+ 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.684 76.1 90.0 -71.2 -16.7 62.1 48.6 23.7 156 72 B N < - 0 0 13 -3,-1.4 29,-0.1 -4,-0.2 33,-0.0 -0.753 68.2-158.1 -80.0 113.5 60.2 46.9 20.8 157 73 B P S S+ 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.600 71.6 71.1 -70.3 -13.3 62.8 44.4 19.5 158 74 B M + 0 0 15 26,-0.2 2,-0.3 27,-0.1 -2,-0.1 -0.895 59.2 163.3-108.6 138.8 61.0 44.2 16.1 159 75 B D > - 0 0 18 -2,-0.4 4,-1.4 1,-0.0 -20,-0.2 -0.915 49.7-106.7-145.0 164.3 61.0 46.9 13.5 160 76 B L H > S+ 0 0 0 -22,-3.4 4,-2.6 -2,-0.3 -21,-0.2 0.721 113.7 63.2 -67.0 -25.7 60.2 47.4 9.9 161 77 B N H > S+ 0 0 46 -23,-0.4 4,-2.7 2,-0.2 5,-0.2 0.931 103.3 49.3 -66.3 -44.0 64.0 47.8 9.0 162 78 B T H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.939 111.7 47.9 -54.6 -48.8 64.6 44.2 10.1 163 79 B I H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.951 111.7 51.6 -61.7 -47.7 61.6 43.0 8.0 164 80 B K H X S+ 0 0 73 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.893 112.2 44.8 -50.9 -47.9 62.9 45.0 5.0 165 81 B K H X S+ 0 0 59 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.896 110.7 54.4 -69.3 -38.3 66.4 43.5 5.3 166 82 B R H <>S+ 0 0 64 -4,-2.6 5,-3.0 1,-0.2 6,-0.5 0.888 111.0 45.1 -63.6 -41.8 65.1 40.0 5.8 167 83 B L H ><5S+ 0 0 16 -4,-2.5 3,-1.0 3,-0.2 -1,-0.2 0.876 114.5 49.5 -63.8 -40.8 63.0 40.2 2.6 168 84 B E H 3<5S+ 0 0 102 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.825 113.4 46.1 -67.9 -32.2 66.0 41.7 0.7 169 85 B N T 3<5S- 0 0 122 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.159 111.3-114.3 -99.7 14.5 68.4 39.0 1.9 170 86 B K T < 5 + 0 0 88 -3,-1.0 -3,-0.2 1,-0.1 -4,-0.1 0.872 63.5 151.2 55.5 40.4 66.1 36.0 1.2 171 87 B Y < + 0 0 134 -5,-3.0 2,-0.3 -6,-0.2 -4,-0.1 0.839 45.3 78.3 -71.0 -32.7 65.9 35.3 4.9 172 88 B Y - 0 0 13 -6,-0.5 3,-0.1 1,-0.1 -54,-0.1 -0.626 50.1-173.0 -91.3 131.3 62.4 33.7 4.9 173 89 B A S S+ 0 0 89 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.826 84.9 26.1 -80.4 -38.5 61.8 30.2 3.7 174 90 B K S >> S- 0 0 81 1,-0.1 3,-1.5 -57,-0.0 4,-0.6 -0.977 73.8-131.3-125.8 144.9 58.0 30.8 4.0 175 91 B A H >> S+ 0 0 6 -2,-0.3 4,-1.7 1,-0.3 3,-0.7 0.773 106.7 69.7 -59.8 -29.5 56.0 34.0 3.7 176 92 B S H 3> S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.804 91.9 60.1 -60.8 -26.3 54.2 33.0 6.9 177 93 B E H <> S+ 0 0 58 -3,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.815 102.5 50.7 -69.2 -33.6 57.5 33.7 8.7 178 94 B C H < S+ 0 0 62 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.888 114.0 50.4 -69.1 -41.9 50.1 46.2 22.4 191 107 B L H 3< S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.792 117.2 35.7 -66.0 -33.9 51.4 44.0 25.2 192 108 B Y T 3< S+ 0 0 150 -4,-1.3 2,-0.2 -5,-0.2 -1,-0.2 0.216 112.0 58.1-117.4 16.6 53.8 46.5 26.8 193 109 B N S < S- 0 0 26 -3,-0.6 3,-0.0 -4,-0.4 -4,-0.0 -0.773 85.5-100.0-134.9 172.2 52.1 49.8 26.3 194 110 B K > - 0 0 74 -2,-0.2 3,-2.0 1,-0.1 6,-0.3 -0.788 41.7 -95.9-100.3 144.1 48.7 51.1 27.4 195 111 B P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.211 112.1 22.2 -52.4 142.0 45.6 51.4 25.2 196 112 B G T 3 S+ 0 0 54 1,-0.3 2,-0.2 2,-0.1 3,-0.0 0.572 85.9 139.1 71.2 5.6 45.3 54.9 23.6 197 113 B D X> - 0 0 70 -3,-2.0 4,-2.3 1,-0.1 3,-0.5 -0.591 69.0-112.6 -66.8 144.6 49.0 55.6 24.1 198 114 B D H 3> S+ 0 0 112 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.866 117.3 53.6 -50.7 -41.6 50.2 57.4 21.0 199 115 B I H 3> S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 108.4 49.7 -64.7 -36.9 52.4 54.4 20.0 200 116 B V H <> S+ 0 0 6 -3,-0.5 4,-3.0 -6,-0.3 -2,-0.2 0.914 110.0 50.5 -66.9 -41.9 49.4 52.0 20.2 201 117 B L H X S+ 0 0 82 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.919 112.7 46.7 -64.7 -42.0 47.2 54.3 18.1 202 118 B M H X S+ 0 0 33 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.919 112.8 49.6 -62.1 -46.1 50.0 54.5 15.5 203 119 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.908 109.5 51.8 -58.6 -42.9 50.5 50.7 15.6 204 120 B Q H X S+ 0 0 86 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.869 107.7 51.3 -68.8 -37.2 46.7 50.1 15.2 205 121 B A H X S+ 0 0 33 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.882 112.7 46.5 -61.9 -42.4 46.5 52.4 12.1 206 122 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.849 112.5 51.5 -64.0 -34.1 49.5 50.4 10.6 207 123 B E H X S+ 0 0 25 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.859 107.4 51.0 -76.2 -39.3 47.8 47.2 11.5 208 124 B K H X S+ 0 0 129 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.936 113.4 45.1 -57.8 -52.1 44.5 48.1 9.9 209 125 B L H X S+ 0 0 32 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.875 112.1 53.7 -59.2 -41.0 46.2 49.0 6.7 210 126 B F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 109.0 46.4 -60.7 -48.7 48.3 45.8 7.1 211 127 B M H X S+ 0 0 64 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.869 111.1 55.6 -60.4 -37.7 45.1 43.6 7.4 212 128 B Q H X S+ 0 0 72 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.956 108.3 45.3 -56.9 -55.8 43.7 45.5 4.4 213 129 B K H < S+ 0 0 41 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.865 114.0 50.1 -60.8 -37.4 46.6 44.7 2.2 214 130 B L H >< S+ 0 0 2 -4,-2.2 3,-1.3 2,-0.2 -2,-0.2 0.923 108.8 51.5 -64.4 -43.5 46.6 41.1 3.3 215 131 B S H 3< S+ 0 0 85 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.816 111.5 48.8 -61.0 -31.4 42.8 40.8 2.6 216 132 B Q T 3< S+ 0 0 106 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.523 84.3 121.0 -82.5 -9.1 43.5 42.2 -0.9 217 133 B M S < S- 0 0 22 -3,-1.3 2,-0.1 -4,-0.4 -3,-0.1 -0.363 71.1-112.6 -62.8 132.6 46.3 39.8 -1.6 218 134 B P 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.444 360.0 360.0 -61.9 138.5 45.8 37.5 -4.6 219 135 B Q 0 0 124 -2,-0.1 0, 0.0 -182,-0.1 0, 0.0 0.322 360.0 360.0-104.3 360.0 45.3 33.8 -3.7 220 !* 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 0.0 221 30 C N > 0 0 157 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -52.8 27.6 67.7 33.8 222 31 C Q H > + 0 0 116 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.929 360.0 46.9 -69.4 -46.0 26.0 64.7 32.1 223 32 C L H > S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.797 113.9 48.6 -63.0 -31.2 29.2 62.8 32.5 224 33 C Q H > S+ 0 0 117 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.861 109.0 51.4 -74.4 -46.7 29.4 64.0 36.2 225 34 C Y H X>S+ 0 0 47 -4,-1.9 4,-2.3 2,-0.2 5,-1.9 0.896 111.1 49.5 -54.1 -44.2 25.9 63.0 36.9 226 35 C L H <>S+ 0 0 1 -4,-2.2 5,-2.3 3,-0.2 -2,-0.2 0.890 118.2 40.1 -62.7 -41.0 26.7 59.5 35.4 227 36 C Q H <5S+ 0 0 47 -4,-1.5 5,-0.3 3,-0.2 -2,-0.2 0.934 125.6 32.6 -72.6 -45.7 29.8 59.3 37.6 228 37 C K H <5S+ 0 0 128 -4,-4.0 -3,-0.2 3,-0.1 -2,-0.2 0.707 133.9 17.7 -93.1 -24.8 28.4 60.8 40.8 229 38 C V T X5S+ 0 0 47 -4,-2.3 4,-1.9 -5,-0.3 -3,-0.2 0.795 124.9 40.8-112.2 -50.7 24.8 59.7 40.8 230 39 C V H > S+ 0 0 73 -5,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.925 110.4 42.9 -57.7 -49.6 26.9 55.4 42.8 233 42 C D H X S+ 0 0 29 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.788 113.4 51.8 -70.8 -31.7 23.4 54.0 43.0 234 43 C L H < S+ 0 0 0 -4,-1.9 3,-0.4 2,-0.2 -1,-0.2 0.875 107.7 52.9 -68.4 -40.0 24.3 51.0 40.7 235 44 C W H < S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.2 5,-0.2 0.888 108.6 50.4 -63.4 -40.4 27.2 50.2 43.0 236 45 C K H < S+ 0 0 147 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.689 85.1 106.4 -67.7 -30.1 24.9 50.2 46.0 237 46 C H S >< S- 0 0 50 -4,-0.8 3,-1.7 -3,-0.4 4,-0.2 -0.360 75.5-132.2 -54.8 133.3 22.4 47.8 44.4 238 47 C S T 3 S+ 0 0 91 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.741 104.6 56.7 -63.2 -22.5 22.8 44.3 45.9 239 48 C F T 3 S+ 0 0 81 1,-0.2 -1,-0.3 68,-0.1 72,-0.1 0.269 81.3 90.2 -91.0 14.1 22.8 42.8 42.4 240 49 C S X + 0 0 5 -3,-1.7 3,-2.2 -5,-0.2 25,-0.2 0.733 61.0 84.8 -83.4 -17.7 25.8 44.8 41.1 241 50 C W G > S+ 0 0 95 -3,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.814 82.2 58.5 -65.9 -32.0 28.7 42.4 42.1 242 51 C P G 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.641 108.0 50.4 -64.8 -8.8 28.5 40.2 39.1 243 52 C F G < S+ 0 0 3 -3,-2.2 22,-3.5 -4,-0.1 23,-0.5 0.229 100.5 80.0-115.6 12.3 29.2 43.3 37.0 244 53 C Q S < S- 0 0 40 -3,-1.4 -9,-0.0 20,-0.2 -3,-0.0 -0.757 78.4 -99.5-112.1 160.3 32.2 44.5 39.0 245 54 C R S S+ 0 0 55 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.998 91.7 36.2-134.8 145.4 35.9 43.4 39.0 246 55 C P 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.561 360.0 360.0 -72.5 166.3 37.6 41.6 40.6 247 56 C V 0 0 69 -2,-0.1 3,-0.1 -5,-0.1 -2,-0.1 -0.611 360.0 360.0 -80.7 360.0 35.0 38.9 41.3 248 ! 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 0.0 249 60 C K 0 0 154 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.5 32.7 30.9 47.0 250 61 C L - 0 0 61 -3,-0.1 2,-0.2 1,-0.1 -3,-0.0 -0.514 360.0-119.4 -71.4 138.4 31.6 31.0 43.4 251 62 C Q >> - 0 0 60 -2,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.533 31.1-113.0 -68.8 147.7 31.5 27.8 41.5 252 63 C L H 3> S+ 0 0 17 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.818 115.5 55.9 -58.8 -38.4 33.9 27.9 38.5 253 64 C P H 3> S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.874 109.0 47.0 -58.9 -42.7 31.1 27.8 35.9 254 65 C D H <> S+ 0 0 44 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.863 109.4 55.9 -65.6 -36.7 29.5 30.9 37.5 255 66 C Y H X S+ 0 0 32 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.924 108.1 45.8 -60.0 -46.2 32.8 32.5 37.6 256 67 C Y H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.929 108.1 58.2 -64.3 -43.0 33.3 32.1 33.9 257 68 C T H < S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.9 44.1 -53.5 -38.0 29.7 33.3 33.3 258 69 C I H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.1 -1,-0.2 0.954 116.6 41.9 -68.1 -53.8 30.7 36.6 35.1 259 70 C I H 3< S+ 0 0 14 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.682 95.8 77.0 -77.1 -17.9 34.1 37.2 33.4 260 71 C K T 3< S+ 0 0 30 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.576 76.4 88.5 -69.9 -11.1 33.0 36.3 29.9 261 72 C N S < S- 0 0 15 -3,-1.1 29,-0.1 -5,-0.2 -183,-0.0 -0.846 70.6-155.6 -84.3 121.1 31.3 39.7 29.7 262 73 C P S S+ 0 0 78 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.361 73.2 65.5 -86.6 5.3 33.9 42.1 28.4 263 74 C M + 0 0 15 26,-0.2 2,-0.3 27,-0.1 -2,-0.1 -0.960 59.9 162.0-121.8 144.5 32.2 45.2 29.9 264 75 C D > - 0 0 13 -2,-0.4 4,-1.5 1,-0.0 3,-0.2 -0.945 51.0-101.1-151.6 166.2 31.8 45.8 33.6 265 76 C L H > S+ 0 0 0 -22,-3.5 4,-2.3 -2,-0.3 -21,-0.2 0.778 117.3 58.4 -64.2 -32.5 31.1 48.7 36.0 266 77 C N H > S+ 0 0 45 -23,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.881 104.2 50.0 -66.1 -44.4 34.7 49.1 37.0 267 78 C T H > S+ 0 0 40 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.917 112.8 48.3 -56.0 -43.8 35.8 49.7 33.4 268 79 C I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.882 111.6 49.6 -63.4 -42.9 33.1 52.3 33.1 269 80 C K H X S+ 0 0 79 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.910 109.9 50.6 -62.6 -45.5 34.1 54.0 36.4 270 81 C K H X S+ 0 0 78 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.917 111.0 49.6 -57.9 -46.7 37.8 54.1 35.3 271 82 C R H <>S+ 0 0 58 -4,-2.1 5,-3.0 2,-0.2 6,-0.6 0.863 110.2 47.9 -66.2 -41.8 36.8 55.7 32.0 272 83 C L H ><5S+ 0 0 19 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.898 117.3 45.5 -60.4 -38.6 34.7 58.4 33.6 273 84 C E H 3<5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.705 113.9 48.5 -77.9 -24.9 37.6 59.0 36.1 274 85 C N T 3<5S- 0 0 107 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.125 112.2-113.8-101.2 20.4 40.2 59.0 33.3 275 86 C K T < 5 + 0 0 94 -3,-0.8 -3,-0.2 -5,-0.1 -4,-0.1 0.893 68.2 145.2 53.7 42.6 38.4 61.4 30.9 276 87 C Y < + 0 0 131 -5,-3.0 2,-0.6 -6,-0.1 -4,-0.2 0.840 43.6 78.1 -83.0 -32.4 37.9 58.6 28.4 277 88 C Y - 0 0 13 -6,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.681 53.2-170.0 -88.5 120.1 34.5 59.6 27.1 278 89 C A S S+ 0 0 90 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.916 83.4 15.9 -63.0 -37.1 34.3 62.5 24.6 279 90 C K S >> S- 0 0 78 -3,-0.1 3,-1.5 -57,-0.0 4,-0.6 -0.944 76.5-120.2-146.7 144.6 30.5 62.4 25.0 280 91 C A H 3> S+ 0 0 11 -2,-0.3 4,-1.8 1,-0.3 3,-0.5 0.724 110.3 68.3 -65.9 -24.3 28.0 61.0 27.6 281 92 C S H 3> S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.751 93.7 58.2 -60.5 -34.0 26.4 58.9 24.8 282 93 C E H <> S+ 0 0 63 -3,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.788 104.6 50.2 -66.1 -31.8 29.7 56.9 24.6 283 94 C C H X S+ 0 0 0 -4,-0.6 4,-2.1 -3,-0.5 3,-0.3 0.913 107.9 51.7 -72.5 -46.3 29.2 56.0 28.3 284 95 C I H X S+ 0 0 57 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.828 106.3 57.0 -53.4 -42.9 25.6 54.9 27.6 285 96 C E H X S+ 0 0 109 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.840 105.1 49.8 -55.2 -41.4 27.0 52.7 24.8 286 97 C D H X S+ 0 0 19 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.903 110.0 50.2 -66.3 -43.8 29.3 51.0 27.3 287 98 C F H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.911 109.7 52.2 -56.6 -43.0 26.3 50.4 29.6 288 99 C N H X S+ 0 0 100 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.906 107.2 52.4 -60.7 -41.2 24.5 49.0 26.6 289 100 C T H X S+ 0 0 54 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.915 110.1 48.9 -59.8 -45.0 27.4 46.6 25.8 290 101 C M H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.936 116.3 39.5 -60.3 -52.5 27.3 45.3 29.3 291 102 C F H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.954 117.4 50.5 -66.7 -43.6 23.6 44.6 29.5 292 103 C S H X S+ 0 0 48 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.851 108.8 50.1 -62.3 -44.2 23.4 43.3 26.0 293 104 C N H X S+ 0 0 38 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.879 111.1 51.2 -58.5 -38.7 26.3 40.9 26.4 294 105 C C H < S+ 0 0 3 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.946 115.7 40.3 -61.8 -46.5 24.6 39.6 29.6 295 106 C Y H < S+ 0 0 64 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.808 114.6 51.2 -73.7 -31.4 21.3 39.0 27.8 296 107 C L H < S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.9 38.4 -75.8 -39.1 22.7 37.6 24.5 297 108 C Y S < S+ 0 0 113 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.098 110.7 57.9-108.3 17.2 25.0 35.0 25.9 298 109 C N S S- 0 0 27 -3,-0.4 3,-0.0 -4,-0.3 0, 0.0 -0.902 86.0 -99.5-134.2 169.6 22.9 33.6 28.9 299 110 C K > - 0 0 101 -2,-0.3 3,-1.8 1,-0.1 6,-0.3 -0.610 39.4-104.7 -89.8 145.2 19.4 32.1 29.1 300 111 C P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.488 110.8 33.6 -62.9 139.0 16.4 34.1 30.2 301 112 C G T 3 S+ 0 0 49 1,-0.4 2,-0.1 -2,-0.1 -2,-0.0 0.224 86.7 130.6 97.0 -16.2 15.6 33.1 33.8 302 113 C D S <> S- 0 0 67 -3,-1.8 4,-2.4 1,-0.1 -1,-0.4 -0.419 71.2-114.9 -64.5 148.4 19.3 32.6 34.7 303 114 C D H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.860 114.5 52.4 -52.1 -44.4 20.3 34.3 37.9 304 115 C I H > S+ 0 0 8 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.857 110.4 48.4 -68.9 -31.9 22.8 36.7 36.1 305 116 C V H > S+ 0 0 5 -3,-0.4 4,-2.4 -6,-0.3 -2,-0.2 0.911 111.9 48.3 -71.6 -47.4 20.0 37.8 33.6 306 117 C L H X S+ 0 0 91 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.906 115.1 47.1 -60.7 -35.7 17.5 38.4 36.5 307 118 C M H X S+ 0 0 17 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.944 111.6 49.1 -72.1 -46.4 20.2 40.4 38.3 308 119 C A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.857 108.3 55.3 -56.2 -40.7 21.1 42.4 35.2 309 120 C Q H X S+ 0 0 95 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.844 108.3 47.5 -65.6 -37.1 17.4 43.2 34.6 310 121 C A H X S+ 0 0 29 -4,-1.5 4,-1.7 -3,-0.2 -2,-0.2 0.899 113.7 47.3 -63.7 -48.0 17.0 44.7 38.1 311 122 C L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 111.0 52.0 -59.9 -43.3 20.2 46.7 37.7 312 123 C E H X S+ 0 0 55 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.816 105.8 55.1 -64.0 -32.5 19.0 47.9 34.2 313 124 C K H X S+ 0 0 124 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.917 110.5 44.1 -68.8 -44.4 15.7 49.0 35.6 314 125 C L H X S+ 0 0 29 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.938 112.5 54.7 -63.2 -46.2 17.4 51.3 38.2 315 126 C F H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 110.3 44.7 -51.8 -50.8 19.8 52.5 35.4 316 127 C M H X S+ 0 0 94 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.891 111.4 53.2 -64.2 -38.2 16.9 53.5 33.2 317 128 C Q H X S+ 0 0 98 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.928 110.4 48.5 -61.5 -42.1 15.1 55.2 36.2 318 129 C K H < S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 108.7 52.3 -63.9 -44.1 18.3 57.1 36.9 319 130 C L H >< S+ 0 0 54 -4,-2.4 3,-1.4 -5,-0.2 -1,-0.2 0.876 105.4 57.4 -57.9 -41.1 18.6 58.2 33.2 320 131 C S H 3< S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.940 109.8 43.1 -48.0 -53.2 14.9 59.4 33.4 321 132 C Q T 3< 0 0 110 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.272 360.0 360.0 -76.8 6.9 15.8 61.8 36.2 322 133 C M < 0 0 75 -3,-1.4 -3,-0.1 -5,-0.1 -100,-0.0 -0.443 360.0 360.0 -69.9 360.0 19.0 62.9 34.6