==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE/INHIBITOR 24-APR-13 4KCX . COMPND 2 MOLECULE: BROMODOMAIN TESTIS-SPECIFIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,E.SCHONBRUNN . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 4.7 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 0 1 1 2 2 0 0 0 0 0 0 0 2 2 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 29 A T > 0 0 121 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -8.6 1.2 -36.6 1.8 2 30 A N H > + 0 0 100 2,-0.2 4,-1.2 1,-0.2 3,-0.1 0.897 360.0 30.2 -50.1 -60.8 -0.5 -33.9 3.9 3 31 A Q H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 120.5 55.8 -71.6 -32.0 2.2 -32.9 6.3 4 32 A L H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.759 102.7 56.0 -70.2 -25.9 4.8 -33.8 3.7 5 33 A Q H X S+ 0 0 93 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.864 106.9 50.1 -71.5 -37.0 3.2 -31.4 1.3 6 34 A Y H X>S+ 0 0 34 -4,-1.2 4,-2.3 -5,-0.2 5,-2.2 0.896 107.6 53.2 -66.2 -42.2 3.6 -28.6 3.9 7 35 A L H <>S+ 0 0 0 -4,-1.8 5,-3.2 3,-0.2 -1,-0.2 0.875 118.2 36.7 -62.7 -36.7 7.3 -29.5 4.4 8 36 A Q H <>S+ 0 0 46 -4,-1.4 5,-0.8 3,-0.2 -2,-0.2 0.932 125.6 35.0 -80.2 -50.5 7.9 -29.2 0.7 9 37 A K H <5S+ 0 0 90 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.784 135.6 16.6 -80.3 -30.2 5.6 -26.3 -0.3 10 38 A V T X5S+ 0 0 46 -4,-2.3 4,-1.9 -5,-0.4 -3,-0.2 0.837 128.2 36.9-108.3 -57.9 6.0 -24.2 2.9 11 39 A V H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 6,-0.2 0.917 108.2 58.2 -70.4 -43.7 14.1 -21.8 4.1 16 44 A W H 3< S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.812 97.0 63.3 -52.2 -35.4 15.6 -22.0 0.6 17 45 A K T 3< S+ 0 0 152 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.722 85.2 87.9 -69.7 -21.4 14.9 -18.3 -0.1 18 46 A H S X S- 0 0 58 -3,-1.4 3,-1.9 -4,-0.4 4,-0.3 -0.594 77.1-135.3 -83.9 138.8 17.3 -17.1 2.7 19 47 A S G > S+ 0 0 64 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.771 102.8 69.1 -60.8 -28.2 20.9 -16.5 1.8 20 48 A F G 3 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.1 74,-0.2 0.561 93.4 58.3 -69.8 -4.3 21.9 -18.3 5.0 21 49 A S G X S+ 0 0 0 -3,-1.9 3,-2.0 -6,-0.2 4,-0.3 0.562 79.6 92.0 -92.8 -13.2 20.6 -21.5 3.5 22 50 A W G X S+ 0 0 174 -3,-1.4 3,-1.4 -4,-0.3 4,-0.2 0.870 82.4 52.8 -52.2 -44.1 23.0 -21.2 0.5 23 51 A P G 3 S+ 0 0 61 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.708 111.5 48.2 -64.6 -16.2 25.7 -23.3 2.2 24 52 A F G < S+ 0 0 18 -3,-2.0 24,-3.1 1,-0.2 25,-0.5 0.245 85.2 88.1-108.0 10.2 23.2 -26.1 2.8 25 53 A Q S < S+ 0 0 29 -3,-1.4 -1,-0.2 -4,-0.3 -3,-0.1 0.414 95.4 31.6 -90.1 -1.2 21.7 -26.3 -0.7 26 54 A R S S- 0 0 141 -3,-0.3 22,-0.2 -4,-0.2 3,-0.1 -0.972 99.9 -83.7-148.4 151.8 24.2 -28.9 -1.9 27 55 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 20,-0.1 -0.249 62.5 -88.0 -51.9 142.9 26.3 -31.7 -0.2 28 56 A V - 0 0 43 18,-0.1 2,-0.9 1,-0.1 3,-0.1 -0.365 35.0-148.2 -57.5 123.1 29.4 -30.4 1.4 29 57 A D > - 0 0 67 1,-0.2 4,-1.6 -3,-0.1 6,-0.1 -0.881 13.9-170.1 -93.9 103.8 32.2 -30.3 -1.1 30 58 A A T 4>S+ 0 0 15 -2,-0.9 5,-3.2 1,-0.2 -1,-0.2 0.777 78.1 46.6 -70.8 -29.9 35.1 -31.1 1.2 31 59 A V T >45S+ 0 0 113 3,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.939 112.9 44.7 -77.2 -51.7 37.9 -30.4 -1.3 32 60 A K T 345S+ 0 0 155 1,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.860 121.3 41.1 -64.3 -34.9 36.7 -27.0 -2.8 33 61 A L T 3<5S- 0 0 119 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.325 111.3-122.9 -98.0 8.0 35.9 -25.7 0.7 34 62 A Q T < 5 + 0 0 150 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.905 64.1 139.7 53.1 50.3 39.0 -27.2 2.2 35 63 A L > < + 0 0 53 -5,-3.2 3,-2.3 -6,-0.1 4,-0.3 -0.653 25.2 177.5-114.5 72.1 37.3 -29.3 4.9 36 64 A P T 3 S+ 0 0 113 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.654 75.3 37.6 -55.0 -30.1 39.6 -32.4 4.6 37 65 A D T 3> S+ 0 0 67 1,-0.1 4,-2.4 2,-0.1 5,-0.3 0.178 81.0 111.9-109.0 14.1 38.2 -34.5 7.4 38 66 A Y H <> S+ 0 0 17 -3,-2.3 4,-2.9 1,-0.2 -1,-0.1 0.931 84.9 38.8 -54.3 -49.7 34.5 -33.6 6.8 39 67 A Y H 4 S+ 0 0 103 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.733 113.2 56.8 -79.0 -20.8 33.5 -37.0 5.6 40 68 A T H 4 S+ 0 0 107 -4,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.891 117.9 33.9 -66.7 -40.9 35.8 -38.8 8.2 41 69 A I H < S+ 0 0 53 -4,-2.4 2,-0.6 1,-0.1 -2,-0.2 0.912 112.2 61.0 -85.0 -43.9 34.0 -37.0 11.0 42 70 A I < + 0 0 3 -4,-2.9 -1,-0.1 -5,-0.3 34,-0.0 -0.768 56.7 177.8 -93.2 117.6 30.4 -36.7 9.7 43 71 A K S S+ 0 0 154 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.767 76.1 41.0 -92.5 -30.6 29.0 -40.2 9.2 44 72 A N S S- 0 0 113 28,-0.1 -1,-0.2 2,-0.0 32,-0.1 -0.520 78.2-169.3-120.8 71.5 25.5 -39.1 8.1 45 73 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.107 9.0 177.8 -56.2 147.8 25.7 -36.1 5.8 46 74 A M + 0 0 25 26,-0.1 2,-0.3 27,-0.1 -18,-0.1 -0.991 7.7 172.0-153.8 149.0 22.6 -34.2 4.9 47 75 A D > - 0 0 10 -2,-0.3 4,-2.0 -22,-0.1 3,-0.2 -0.971 45.2-102.9-152.3 164.8 21.6 -31.2 2.9 48 76 A L H > S+ 0 0 0 -24,-3.1 4,-2.4 -2,-0.3 -23,-0.2 0.817 116.8 56.5 -57.9 -34.7 18.5 -29.3 1.5 49 77 A N H > S+ 0 0 27 -25,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.910 107.0 48.2 -72.2 -37.7 19.0 -30.6 -2.0 50 78 A T H > S+ 0 0 39 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 112.7 49.3 -64.4 -44.0 18.9 -34.2 -0.8 51 79 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.884 110.2 52.0 -59.1 -39.9 15.8 -33.4 1.2 52 80 A K H X S+ 0 0 56 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 109.2 48.2 -67.1 -43.2 14.3 -31.8 -1.9 53 81 A K H X S+ 0 0 79 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.877 108.9 54.9 -62.2 -37.4 14.9 -34.8 -4.0 54 82 A R H <>S+ 0 0 62 -4,-1.9 5,-3.4 1,-0.2 6,-0.6 0.883 109.5 45.8 -70.3 -35.5 13.4 -37.1 -1.4 55 83 A L H ><5S+ 0 0 15 -4,-1.9 3,-1.2 3,-0.2 -1,-0.2 0.936 114.8 47.7 -67.2 -48.2 10.2 -35.1 -1.4 56 84 A E H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.927 114.2 46.4 -56.7 -48.3 10.0 -34.9 -5.2 57 85 A N T 3<5S- 0 0 126 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.293 112.1-117.9 -82.3 9.0 10.7 -38.7 -5.5 58 86 A K T < 5 + 0 0 153 -3,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.868 63.5 149.5 58.6 39.0 8.1 -39.6 -2.8 59 87 A Y < + 0 0 135 -5,-3.4 2,-0.3 -6,-0.2 -4,-0.2 0.857 46.0 74.0 -73.0 -38.8 10.9 -41.1 -0.7 60 88 A Y - 0 0 13 -6,-0.6 3,-0.1 1,-0.1 -56,-0.0 -0.590 55.6-168.2 -79.8 138.3 9.5 -40.3 2.7 61 89 A A S S+ 0 0 86 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.608 76.2 20.2 -90.3 -14.8 6.6 -42.4 3.9 62 90 A K S >> S- 0 0 116 1,-0.1 3,-1.3 -59,-0.1 4,-0.9 -0.998 76.2-112.5-162.6 145.2 5.9 -40.1 6.8 63 91 A A H >> S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.3 3,-0.5 0.838 110.7 62.3 -53.9 -39.4 6.6 -36.5 8.1 64 92 A S H 3> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.810 98.2 56.7 -59.1 -32.4 8.8 -37.7 10.9 65 93 A E H <> S+ 0 0 59 -3,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.868 110.3 42.9 -69.2 -37.7 11.4 -39.1 8.4 66 94 A C H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.6 0.990 115.0 44.6 -69.5 -56.3 21.5 -29.0 11.8 75 103 A S H 3X S+ 0 0 8 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.861 107.7 61.9 -57.4 -34.7 23.2 -31.3 14.3 76 104 A N H 3X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.905 105.9 45.3 -55.3 -46.5 25.9 -32.2 11.7 77 105 A C H - 0 0 122 -2,-0.0 3,-1.8 105,-0.0 6,-0.2 -0.963 40.1 -62.6-153.9 163.7 32.0 -24.9 17.2 83 111 A P T 3 S+ 0 0 44 0, 0.0 3,-0.1 0, 0.0 66,-0.0 -0.188 116.7 26.4 -53.4 140.2 30.4 -21.8 18.8 84 112 A G T 3 S+ 0 0 63 1,-0.3 2,-0.1 2,-0.1 5,-0.0 0.170 84.4 133.7 94.4 -16.7 31.0 -18.5 17.1 85 113 A D X> - 0 0 46 -3,-1.8 4,-2.0 1,-0.1 3,-0.7 -0.471 61.5-128.5 -65.5 138.8 31.7 -20.0 13.6 86 114 A D H 3> S+ 0 0 133 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.899 110.0 53.1 -50.1 -47.5 29.8 -18.2 10.8 87 115 A I H 3> S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.842 107.8 52.8 -61.8 -28.8 28.4 -21.5 9.5 88 116 A V H <> S+ 0 0 1 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.915 105.8 51.1 -74.7 -40.9 27.0 -22.1 12.9 89 117 A L H X S+ 0 0 103 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.921 112.3 49.9 -61.6 -38.5 25.3 -18.8 13.2 90 118 A M H X S+ 0 0 53 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.948 108.5 49.8 -63.1 -48.7 23.8 -19.6 9.9 91 119 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.882 109.1 54.7 -57.9 -39.5 22.6 -23.1 11.0 92 120 A Q H X S+ 0 0 60 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.891 108.4 45.9 -63.9 -42.9 21.0 -21.5 14.0 93 121 A A H X S+ 0 0 32 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.907 114.6 49.4 -65.4 -43.4 19.0 -19.0 12.1 94 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 112.6 47.4 -56.3 -48.7 17.9 -21.8 9.7 95 123 A E H X S+ 0 0 17 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.903 111.2 50.6 -64.7 -41.1 16.9 -24.1 12.6 96 124 A K H X S+ 0 0 105 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.925 112.5 45.8 -63.9 -43.2 15.0 -21.3 14.3 97 125 A L H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.897 111.2 54.9 -65.8 -40.0 13.1 -20.5 11.1 98 126 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.926 106.6 49.9 -55.9 -47.2 12.5 -24.3 10.7 99 127 A M H X S+ 0 0 25 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.885 108.8 51.7 -65.1 -38.5 11.0 -24.6 14.2 100 128 A Q H < S+ 0 0 105 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.892 111.0 47.8 -62.7 -43.9 8.6 -21.7 13.7 101 129 A K H >< S+ 0 0 56 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.919 108.4 55.4 -62.3 -44.8 7.3 -23.2 10.4 102 130 A L H >< S+ 0 0 24 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.855 98.9 61.2 -57.0 -37.1 7.0 -26.6 12.0 103 131 A S T 3< S+ 0 0 88 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.694 102.4 53.7 -67.7 -16.5 4.7 -25.1 14.7 104 132 A Q T < S+ 0 0 148 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.009 82.3 121.0-105.5 24.8 2.3 -24.1 11.9 105 133 A M < 0 0 39 -3,-1.8 -102,-0.1 1,-0.1 -3,-0.0 -0.718 360.0 360.0 -90.4 139.8 2.0 -27.6 10.4 106 134 A P 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -103,-0.1 0.656 360.0 360.0 -63.8 360.0 -1.4 -29.3 10.2 107 !* 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 0.0 108 29 B T > 0 0 126 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 26.7 -0.9 -22.5 29.2 109 30 B N H > + 0 0 128 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.946 360.0 37.2 -75.9 -51.4 -2.3 -25.6 27.4 110 31 B Q H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.860 117.5 54.7 -66.7 -35.9 0.7 -26.4 25.2 111 32 B L H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.840 105.0 52.6 -64.1 -34.9 2.9 -25.4 28.1 112 33 B Q H X S+ 0 0 92 -4,-1.3 4,-3.1 2,-0.2 5,-0.3 0.820 109.0 50.6 -68.8 -32.1 1.1 -27.9 30.3 113 34 B Y H X>S+ 0 0 38 -4,-1.4 4,-2.7 2,-0.2 5,-1.5 0.952 108.4 51.0 -67.0 -50.6 1.8 -30.5 27.6 114 35 B L H <>S+ 0 0 0 -4,-2.6 5,-2.5 3,-0.2 -2,-0.2 0.869 119.9 37.5 -53.5 -38.7 5.5 -29.5 27.6 115 36 B Q H <>S+ 0 0 39 -4,-1.8 5,-0.7 3,-0.2 -2,-0.2 0.938 124.4 34.5 -80.8 -50.7 5.5 -29.9 31.4 116 37 B K H <5S+ 0 0 110 -4,-3.1 -3,-0.2 3,-0.1 -2,-0.2 0.733 134.6 17.9 -80.9 -24.5 3.3 -32.9 32.1 117 38 B V T X5S+ 0 0 42 -4,-2.7 4,-2.2 -5,-0.3 5,-0.2 0.817 125.3 38.2-111.1 -65.5 4.1 -35.0 29.0 118 39 B V H >< S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.2 6,-0.2 0.928 109.7 58.3 -64.7 -41.7 12.3 -37.4 28.9 123 44 B W H 3< S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 95.8 62.2 -56.0 -37.4 13.2 -37.2 32.6 124 45 B K H 3< S+ 0 0 160 -4,-1.6 2,-0.3 -3,-0.2 -1,-0.3 0.718 87.4 87.3 -69.2 -19.8 12.4 -40.9 33.3 125 46 B H S X< S- 0 0 62 -3,-1.4 3,-2.0 -4,-0.5 4,-0.3 -0.652 77.1-136.7 -84.6 136.4 15.2 -42.0 30.9 126 47 B S G > S+ 0 0 62 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.726 100.5 71.7 -61.7 -24.7 18.7 -42.5 32.2 127 48 B F G 3 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 74,-0.2 0.577 93.4 57.4 -70.5 -3.7 20.1 -40.8 29.1 128 49 B S G X S+ 0 0 0 -3,-2.0 3,-2.1 -6,-0.2 4,-0.3 0.606 80.3 91.8 -93.6 -16.5 18.6 -37.5 30.5 129 50 B W G X S+ 0 0 176 -3,-1.2 3,-1.2 -4,-0.3 4,-0.1 0.820 83.0 51.3 -49.1 -44.2 20.6 -37.8 33.8 130 51 B P G 3 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.672 113.0 49.3 -67.4 -15.4 23.6 -35.8 32.6 131 52 B F G < S+ 0 0 18 -3,-2.1 24,-2.4 1,-0.1 25,-0.5 0.319 84.7 88.6-103.1 3.7 21.2 -33.1 31.5 132 53 B Q S < S+ 0 0 28 -3,-1.2 -1,-0.1 -4,-0.3 -3,-0.1 0.483 95.8 29.1 -83.4 -1.2 19.1 -32.8 34.7 133 54 B R S S- 0 0 139 -3,-0.3 22,-0.1 -4,-0.1 3,-0.1 -0.976 100.1 -83.0-152.3 151.2 21.4 -30.2 36.3 134 55 B P - 0 0 69 0, 0.0 2,-0.2 0, 0.0 20,-0.1 -0.239 64.3 -84.7 -53.8 148.9 23.7 -27.4 34.9 135 56 B V - 0 0 43 18,-0.1 2,-1.1 1,-0.1 3,-0.1 -0.384 33.7-146.7 -59.5 121.7 27.1 -28.7 33.8 136 57 B D > - 0 0 65 -2,-0.2 4,-2.0 1,-0.2 6,-0.1 -0.813 16.1-172.3 -88.9 100.5 29.5 -28.8 36.7 137 58 B A T 4>S+ 0 0 17 -2,-1.1 5,-3.2 1,-0.2 -1,-0.2 0.797 79.6 45.3 -67.8 -31.5 32.7 -28.0 34.7 138 59 B V T >45S+ 0 0 112 3,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.953 113.5 45.6 -75.8 -53.3 35.0 -28.7 37.6 139 60 B K T 345S+ 0 0 152 1,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.832 120.6 40.8 -63.7 -33.2 33.5 -32.0 38.9 140 61 B L T 3<5S- 0 0 117 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.318 110.8-121.4 -97.1 8.4 33.3 -33.4 35.4 141 62 B Q T < 5 + 0 0 151 -3,-1.5 -3,-0.2 1,-0.1 -4,-0.1 0.919 64.9 139.4 51.5 53.6 36.7 -32.0 34.3 142 63 B L > < + 0 0 51 -5,-3.2 3,-2.1 -6,-0.1 4,-0.3 -0.674 25.5 177.1-120.1 73.1 35.4 -29.8 31.4 143 64 B P T 3 S+ 0 0 116 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.704 74.8 38.4 -59.2 -33.5 37.7 -26.8 32.1 144 65 B D T >> S+ 0 0 69 1,-0.1 4,-2.2 2,-0.1 3,-0.6 0.260 81.6 112.3-102.1 12.8 36.7 -24.6 29.1 145 66 B Y H <> S+ 0 0 17 -3,-2.1 4,-2.9 1,-0.3 3,-0.3 0.934 84.5 38.0 -50.0 -55.4 33.0 -25.5 29.2 146 67 B Y H 34 S+ 0 0 103 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.659 112.3 59.3 -77.8 -11.7 31.8 -22.1 30.2 147 68 B T H <4 S+ 0 0 105 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.2 0.862 117.1 32.2 -73.6 -36.2 34.4 -20.4 28.0 148 69 B I H < S+ 0 0 53 -4,-2.2 2,-0.5 -3,-0.3 -2,-0.2 0.886 112.2 60.7 -91.4 -44.7 33.0 -22.1 24.9 149 70 B I < + 0 0 3 -4,-2.9 -1,-0.1 -5,-0.3 34,-0.0 -0.781 55.9 178.4 -88.4 122.5 29.2 -22.4 25.6 150 71 B K S S+ 0 0 158 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.752 75.1 43.9 -98.1 -27.8 27.7 -18.9 26.1 151 72 B N S S- 0 0 118 28,-0.1 -1,-0.2 2,-0.0 32,-0.1 -0.593 78.7-167.1-117.9 75.0 24.0 -19.9 26.7 152 73 B P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.153 9.7 179.9 -56.0 147.4 24.0 -22.9 29.1 153 74 B M + 0 0 28 26,-0.1 2,-0.3 27,-0.1 -20,-0.1 -0.982 9.9 171.3-153.4 144.3 20.8 -24.9 29.4 154 75 B D > - 0 0 8 -2,-0.3 4,-2.0 -22,-0.1 3,-0.2 -0.962 44.2-107.3-143.6 162.5 19.5 -27.9 31.4 155 76 B L H > S+ 0 0 0 -24,-2.4 4,-2.8 -2,-0.3 -23,-0.2 0.823 116.0 56.5 -55.1 -38.2 16.3 -29.7 32.1 156 77 B N H > S+ 0 0 29 -25,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.920 107.2 48.3 -67.7 -41.0 16.1 -28.5 35.7 157 78 B T H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 112.7 49.4 -60.2 -44.1 16.3 -24.9 34.6 158 79 B I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.903 110.2 51.3 -60.7 -41.5 13.6 -25.7 32.1 159 80 B K H X S+ 0 0 56 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.912 109.9 48.1 -65.0 -45.2 11.5 -27.3 34.9 160 81 B K H X S+ 0 0 79 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.906 109.5 54.1 -58.9 -42.2 11.8 -24.3 37.2 161 82 B R H <>S+ 0 0 63 -4,-2.1 5,-3.2 1,-0.2 6,-0.7 0.854 111.0 45.4 -65.7 -34.1 10.9 -22.0 34.3 162 83 B L H ><5S+ 0 0 18 -4,-1.8 3,-1.1 3,-0.2 -1,-0.2 0.913 114.9 48.0 -70.8 -45.1 7.7 -24.0 33.7 163 84 B E H 3<5S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.891 114.7 45.2 -60.5 -42.9 6.9 -24.1 37.5 164 85 B N T 3<5S- 0 0 122 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.247 111.9-116.1 -88.8 12.2 7.5 -20.4 38.0 165 86 B K T < 5 + 0 0 180 -3,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.882 64.7 148.5 53.5 42.2 5.5 -19.4 34.9 166 87 B Y < + 0 0 137 -5,-3.2 -4,-0.2 -6,-0.2 2,-0.2 0.893 48.0 75.7 -70.6 -41.4 8.6 -18.0 33.3 167 88 B Y - 0 0 16 -6,-0.7 3,-0.1 1,-0.1 -56,-0.0 -0.460 54.8-170.8 -77.7 143.8 7.5 -18.8 29.7 168 89 B A S S+ 0 0 78 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.781 76.1 16.0 -96.9 -38.4 4.9 -16.7 27.9 169 90 B K S >> S- 0 0 124 -59,-0.1 3,-1.1 -61,-0.0 4,-0.8 -0.930 78.7-111.5-137.0 157.8 4.5 -19.0 24.9 170 91 B A H 3> S+ 0 0 9 -2,-0.3 4,-2.2 1,-0.3 3,-0.2 0.755 111.1 66.7 -63.1 -26.0 5.4 -22.6 24.1 171 92 B S H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.849 95.2 57.0 -64.3 -32.7 8.0 -21.5 21.5 172 93 B E H <> S+ 0 0 62 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.878 109.2 45.5 -65.9 -36.5 10.2 -20.0 24.3 173 94 B C H X S+ 0 0 0 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.903 110.9 52.5 -71.5 -42.5 10.3 -23.4 26.0 174 95 B I H X S+ 0 0 19 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.828 104.5 57.3 -64.5 -33.8 11.1 -25.2 22.8 175 96 B E H X S+ 0 0 97 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.906 104.9 52.2 -58.5 -43.3 14.0 -22.8 22.2 176 97 B D H X S+ 0 0 20 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.935 109.4 47.5 -63.9 -46.6 15.4 -23.8 25.5 177 98 B F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.933 112.5 50.5 -56.4 -47.8 15.3 -27.6 24.7 178 99 B N H X S+ 0 0 14 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.892 109.3 50.9 -58.0 -42.0 16.8 -26.8 21.3 179 100 B T H X S+ 0 0 43 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.887 107.0 54.2 -64.4 -40.9 19.6 -24.8 23.0 180 101 B M H X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.958 113.2 42.2 -57.9 -48.5 20.3 -27.7 25.4 181 102 B F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.2 0.962 115.8 46.6 -65.4 -48.8 20.8 -30.2 22.5 182 103 B S H X S+ 0 0 6 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.872 106.4 60.3 -65.9 -35.5 22.8 -27.9 20.2 183 104 B N H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.907 106.6 47.0 -50.5 -52.8 25.0 -26.9 23.2 184 105 B C H X S+ 0 0 8 -4,-1.6 4,-2.6 -3,-0.2 -2,-0.2 0.948 112.9 48.3 -55.2 -52.9 26.0 -30.5 23.5 185 106 B Y H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.6 48.2 -55.2 -41.2 26.7 -30.9 19.8 186 107 B L H < S+ 0 0 9 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.8 41.9 -66.3 -46.3 28.7 -27.7 19.7 187 108 B Y H < S+ 0 0 45 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.858 119.7 40.8 -74.3 -35.0 30.9 -28.5 22.7 188 109 B N S < S- 0 0 33 -4,-2.6 -3,-0.0 -5,-0.2 3,-0.0 -0.008 76.3-123.9-100.5-160.8 31.4 -32.2 21.8 189 110 B K > - 0 0 128 -2,-0.0 3,-1.7 -148,-0.0 6,-0.2 -0.934 41.2 -68.6-142.3 166.3 32.2 -34.2 18.6 190 111 B P T 3 S+ 0 0 42 0, 0.0 3,-0.1 0, 0.0 -148,-0.0 -0.279 116.5 26.4 -58.6 140.2 30.6 -37.2 16.7 191 112 B G T 3 S+ 0 0 59 1,-0.3 2,-0.1 2,-0.1 5,-0.0 0.159 83.3 135.5 94.7 -19.4 30.9 -40.5 18.6 192 113 B D <> - 0 0 43 -3,-1.7 4,-2.0 1,-0.1 -1,-0.3 -0.392 61.5-127.1 -61.1 140.9 31.0 -39.1 22.1 193 114 B D H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 110.5 53.1 -53.4 -46.4 28.8 -40.9 24.6 194 115 B I H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.860 106.8 53.3 -62.3 -32.8 27.2 -37.6 25.7 195 116 B V H > S+ 0 0 1 -3,-0.3 4,-2.7 -6,-0.2 -1,-0.2 0.906 106.9 50.6 -68.9 -38.9 26.4 -36.9 22.0 196 117 B L H X S+ 0 0 92 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.935 112.0 48.3 -65.7 -40.1 24.7 -40.2 21.6 197 118 B M H X S+ 0 0 54 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 110.3 50.9 -63.0 -45.6 22.7 -39.5 24.7 198 119 B A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.905 108.6 53.4 -55.4 -43.2 21.8 -36.1 23.4 199 120 B Q H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.912 108.9 47.1 -63.3 -43.4 20.6 -37.6 20.1 200 121 B A H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.922 112.9 49.2 -64.1 -45.1 18.3 -40.1 21.8 201 122 B L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.929 112.1 49.3 -55.1 -47.2 16.8 -37.4 24.0 202 123 B E H X S+ 0 0 15 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.887 109.1 51.1 -64.1 -40.7 16.2 -35.1 21.0 203 124 B K H X S+ 0 0 100 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.953 112.9 45.9 -61.0 -49.2 14.6 -37.9 19.0 204 125 B L H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 111.9 53.3 -59.2 -45.3 12.2 -38.6 21.8 205 126 B F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 3,-0.3 0.952 108.6 47.4 -52.5 -57.2 11.6 -34.8 22.2 206 127 B M H X S+ 0 0 24 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.849 110.7 53.6 -57.3 -35.0 10.7 -34.3 18.6 207 128 B Q H < S+ 0 0 112 -4,-2.0 -1,-0.2 -5,-0.2 4,-0.2 0.890 110.7 45.6 -68.0 -37.9 8.4 -37.4 18.7 208 129 B K H >< S+ 0 0 56 -4,-2.0 3,-1.3 -3,-0.3 4,-0.3 0.867 109.2 56.4 -70.1 -37.4 6.5 -35.9 21.8 209 130 B L H >< S+ 0 0 23 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.855 96.7 62.5 -65.0 -35.7 6.3 -32.5 20.1 210 131 B S T 3< S+ 0 0 83 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.601 102.5 52.9 -69.1 -10.0 4.5 -33.9 17.1 211 132 B Q T < S+ 0 0 139 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.491 81.8 121.9-100.9 -7.5 1.7 -34.9 19.4 212 133 B M < 0 0 36 -3,-1.7 -102,-0.1 -4,-0.3 -3,-0.0 -0.266 360.0 360.0 -60.8 140.1 1.2 -31.5 20.9 213 134 B P 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -103,-0.0 0.758 360.0 360.0 -43.6 360.0 -2.3 -29.8 20.6