==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR/ANTIBIOTIC 15-NOV-09 3KP4 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR TCAR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS RP62A; . AUTHOR Y.M.CHANG,C.K.CHEN,A.H.WANG . 278 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 78.8 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 . 9 3.2 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 . 1 0.4 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 1 0 0 0 0 3 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 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 . 1 1 1 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 . 1 1 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 3 A R 0 0 248 0, 0.0 4,-0.5 0, 0.0 242,-0.0 0.000 360.0 360.0 360.0 -21.8 -8.9 -25.2 -19.0 2 4 A R > + 0 0 162 2,-0.2 4,-0.8 1,-0.1 3,-0.3 0.806 360.0 48.7 -85.3 -36.0 -7.7 -22.6 -16.5 3 5 A I H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.792 97.6 70.2 -73.7 -31.2 -11.1 -22.5 -14.9 4 6 A E H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 98.8 49.4 -54.9 -39.6 -11.2 -26.3 -14.8 5 7 A D H > S+ 0 0 87 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.878 111.7 47.6 -67.6 -40.8 -8.6 -26.2 -12.0 6 8 A H H X S+ 0 0 59 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.898 112.0 50.9 -65.2 -43.6 -10.5 -23.6 -10.0 7 9 A I H X S+ 0 0 25 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.882 107.8 52.2 -61.9 -42.8 -13.7 -25.6 -10.4 8 10 A S H X S+ 0 0 65 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.932 112.8 45.3 -59.5 -45.8 -12.0 -28.8 -9.2 9 11 A F H X S+ 0 0 17 -4,-1.8 4,-4.1 2,-0.2 -2,-0.2 0.840 110.4 52.9 -66.6 -38.6 -10.7 -27.0 -6.1 10 12 A L H X S+ 0 0 45 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.946 112.5 45.5 -62.5 -46.9 -14.1 -25.3 -5.4 11 13 A E H X S+ 0 0 36 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.882 116.4 45.6 -62.7 -39.9 -15.7 -28.7 -5.6 12 14 A K H X S+ 0 0 78 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.962 113.5 49.8 -66.5 -51.7 -13.0 -30.1 -3.4 13 15 A F H X S+ 0 0 10 -4,-4.1 4,-2.1 1,-0.2 -2,-0.2 0.935 114.4 43.0 -50.6 -55.4 -13.2 -27.2 -1.0 14 16 A I H X S+ 0 0 11 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.882 109.7 60.5 -60.3 -35.5 -17.0 -27.5 -0.7 15 17 A N H X S+ 0 0 5 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.947 108.6 41.8 -56.0 -49.4 -16.4 -31.2 -0.4 16 18 A D H X S+ 0 0 11 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.829 108.9 58.2 -67.7 -35.5 -14.3 -30.7 2.7 17 19 A V H X S+ 0 0 18 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.929 111.3 43.3 -59.5 -45.4 -16.6 -28.0 4.2 18 20 A N H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.957 113.3 51.4 -64.8 -50.9 -19.4 -30.6 4.1 19 21 A T H X S+ 0 0 7 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.917 110.9 48.6 -50.8 -52.6 -17.2 -33.4 5.4 20 22 A L H X S+ 0 0 19 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.882 110.0 50.1 -57.3 -44.5 -16.1 -31.2 8.4 21 23 A T H X S+ 0 0 8 -4,-2.0 4,-1.8 -5,-0.2 5,-0.2 0.906 107.8 55.5 -63.8 -39.4 -19.6 -30.1 9.4 22 24 A A H X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.903 112.5 40.2 -59.8 -46.1 -20.7 -33.8 9.3 23 25 A K H < S+ 0 0 34 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.886 117.6 51.2 -71.0 -36.7 -18.1 -34.9 11.8 24 26 A L H < S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.655 117.0 36.1 -74.2 -19.8 -18.6 -31.7 13.8 25 27 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.1 3,-0.4 0.505 89.6 93.6-112.3 -5.4 -22.3 -32.0 14.2 26 28 A K H X S+ 0 0 108 -4,-1.0 4,-3.2 1,-0.2 5,-0.2 0.948 88.8 44.1 -50.9 -60.4 -22.8 -35.7 14.5 27 29 A D H > S+ 0 0 135 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.755 116.4 48.5 -59.9 -25.4 -22.7 -35.9 18.3 28 30 A L H > S+ 0 0 18 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.815 112.2 47.9 -83.1 -33.7 -25.0 -32.8 18.5 29 31 A Q H <>S+ 0 0 8 -4,-2.7 5,-2.8 -3,-0.2 4,-0.4 0.901 112.9 49.0 -70.5 -41.1 -27.4 -34.3 15.9 30 32 A T H ><5S+ 0 0 86 -4,-3.2 3,-1.5 -5,-0.3 -2,-0.2 0.943 107.3 55.9 -62.9 -46.8 -27.3 -37.6 17.9 31 33 A E H 3<5S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.891 113.8 39.6 -51.2 -43.9 -28.0 -35.6 21.1 32 34 A Y T 3<5S- 0 0 39 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.470 116.7-120.5 -84.4 -3.1 -31.1 -34.1 19.5 33 35 A G T < 5 + 0 0 60 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.920 66.6 127.2 65.6 47.7 -31.8 -37.5 17.9 34 36 A I < - 0 0 15 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.938 56.6-118.2-135.6 158.7 -31.8 -36.5 14.3 35 37 A S > - 0 0 31 -2,-0.3 4,-1.0 1,-0.1 165,-0.1 -0.352 34.0-110.8 -83.7 168.6 -30.1 -37.4 11.0 36 38 A A H >> S+ 0 0 3 163,-0.5 4,-2.4 2,-0.2 3,-0.8 0.943 119.3 53.0 -67.5 -46.9 -27.9 -35.0 9.1 37 39 A E H 3> S+ 0 0 26 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.861 106.8 53.8 -55.7 -35.7 -30.4 -34.6 6.3 38 40 A Q H 3> S+ 0 0 19 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.810 106.9 53.1 -67.3 -29.7 -33.0 -33.7 8.9 39 41 A S H X S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.2 4,-1.0 0.900 108.1 51.5 -65.8 -43.9 -30.7 -25.2 8.7 44 46 A M H 3X S+ 0 0 9 -4,-3.5 4,-0.8 1,-0.3 -1,-0.2 0.717 111.8 49.0 -65.7 -20.9 -32.6 -24.3 5.5 45 47 A L H 3< S+ 0 0 13 -4,-1.1 43,-0.5 -5,-0.2 -1,-0.3 0.300 98.7 68.3 -99.9 5.5 -35.4 -23.1 7.7 46 48 A S H <4 S+ 0 0 44 -3,-1.6 -2,-0.2 -5,-0.1 -1,-0.1 0.798 103.3 43.4 -89.8 -34.4 -33.0 -21.1 9.9 47 49 A I H < S- 0 0 90 -4,-1.0 2,-0.3 1,-0.3 -2,-0.2 0.895 135.3 -25.2 -75.3 -44.7 -32.3 -18.6 7.1 48 50 A E S < S- 0 0 121 -4,-0.8 -1,-0.3 0, 0.0 2,-0.1 -0.970 73.9 -86.7-165.7 158.8 -35.9 -18.3 6.0 49 51 A A + 0 0 49 -2,-0.3 2,-0.3 -3,-0.1 38,-0.2 -0.351 46.3 176.1 -72.5 154.6 -39.2 -20.2 6.1 50 52 A L - 0 0 12 36,-1.6 2,-0.2 35,-0.3 35,-0.1 -0.907 23.6-135.4-149.5 175.0 -40.2 -22.7 3.3 51 53 A T > - 0 0 37 -2,-0.3 4,-1.5 33,-0.1 5,-0.2 -0.467 45.0 -86.9-119.5-166.7 -42.7 -25.2 2.2 52 54 A V H > S+ 0 0 37 2,-0.2 4,-4.2 -2,-0.2 5,-0.3 0.972 123.7 43.6 -74.0 -57.2 -42.2 -28.7 0.7 53 55 A G H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.963 110.6 58.8 -51.7 -53.4 -41.7 -28.0 -3.0 54 56 A Q H 4 S+ 0 0 92 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.891 118.3 30.2 -40.3 -54.4 -39.5 -25.1 -2.0 55 57 A I H >X S+ 0 0 23 -4,-1.5 4,-1.4 2,-0.2 3,-1.3 0.930 113.0 61.6 -75.4 -46.6 -37.2 -27.5 -0.2 56 58 A T H 3<>S+ 0 0 14 -4,-4.2 5,-1.6 1,-0.3 -2,-0.2 0.774 118.3 30.6 -50.8 -30.9 -37.7 -30.6 -2.3 57 59 A E T 3<5S+ 0 0 123 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.383 101.3 80.6-109.6 -1.7 -36.4 -28.8 -5.4 58 60 A K T <45S+ 0 0 49 -3,-1.3 -2,-0.2 -5,-0.3 -3,-0.1 0.917 123.0 7.7 -69.1 -43.2 -34.0 -26.5 -3.5 59 61 A Q T <5S- 0 0 32 -4,-1.4 -1,-0.2 102,-0.1 -2,-0.1 -0.146 107.3-130.3-127.2 31.2 -31.6 -29.4 -3.4 60 62 A G T 5 + 0 0 29 -5,-0.1 -3,-0.2 1,-0.1 2,-0.2 0.645 45.6 156.1 14.1 80.0 -33.7 -31.6 -5.6 61 63 A V < - 0 0 64 -5,-1.6 -1,-0.1 1,-0.3 5,-0.1 -0.613 46.5 -52.7-113.7 178.0 -34.0 -34.9 -3.9 62 64 A N - 0 0 88 -2,-0.2 -1,-0.3 3,-0.1 112,-0.0 0.420 50.2-108.3 -40.1 179.6 -36.7 -37.6 -4.2 63 65 A K S > S+ 0 0 162 1,-0.1 4,-0.7 2,-0.1 3,-0.5 0.972 111.7 20.4 -78.9 -76.9 -40.5 -37.2 -4.0 64 66 A A H > S+ 0 0 66 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.268 108.1 87.2 -79.5 12.2 -41.6 -38.8 -0.7 65 67 A A H 4 S+ 0 0 13 2,-0.1 -1,-0.2 1,-0.1 -3,-0.1 -0.041 93.0 38.8-102.4 29.6 -38.0 -38.5 0.5 66 68 A V H > S+ 0 0 9 -3,-0.5 4,-2.0 -5,-0.1 -2,-0.2 0.364 107.7 61.6-137.5 -43.3 -38.6 -35.0 1.9 67 69 A S H >X S+ 0 0 61 -4,-0.7 4,-2.1 1,-0.2 3,-0.5 0.956 103.7 49.9 -52.9 -57.1 -42.0 -35.4 3.3 68 70 A R H 3X S+ 0 0 132 -4,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.873 110.1 50.1 -51.9 -43.8 -40.9 -38.1 5.7 69 71 A R H 3> S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.847 110.2 54.1 -63.6 -34.7 -38.0 -35.9 7.0 70 72 A V H S+ 0 0 0 -4,-1.1 5,-2.5 -3,-0.4 6,-1.2 0.760 105.5 56.5 -70.5 -28.2 -39.2 -33.0 12.9 74 76 A L H ><5S+ 0 0 50 -4,-0.9 3,-0.9 3,-0.2 -1,-0.2 0.940 110.4 45.8 -67.3 -45.5 -42.7 -32.0 13.9 75 77 A N H 3<5S+ 0 0 137 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.816 109.4 53.0 -64.3 -35.3 -42.8 -35.0 16.1 76 78 A A T 3<5S- 0 0 33 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.575 111.3-130.0 -76.1 -9.2 -39.4 -34.3 17.5 77 79 A E T < 5S+ 0 0 124 -3,-0.9 14,-0.5 -4,-0.3 15,-0.3 0.851 78.0 116.2 62.0 39.1 -40.9 -30.8 18.2 78 80 A L S - 0 0 25 -11,-1.9 4,-1.2 -2,-0.1 -11,-0.1 -0.254 31.7 -95.3 -99.8-170.1 -39.8 -24.3 16.8 90 101 A N H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.956 122.9 47.8 -74.5 -54.6 -38.1 -23.4 20.0 91 102 A K H > S+ 0 0 91 -14,-0.5 4,-0.9 1,-0.3 -13,-0.2 0.767 114.3 51.8 -58.6 -23.5 -36.3 -26.7 20.7 92 103 A G H > S+ 0 0 0 -15,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.853 104.4 54.7 -79.6 -36.4 -35.2 -26.4 17.1 93 104 A K H X S+ 0 0 134 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.796 106.0 52.6 -65.5 -31.4 -33.9 -22.8 17.6 94 105 A K H X S+ 0 0 112 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.855 105.9 56.4 -72.1 -35.6 -31.8 -24.0 20.5 95 106 A Y H X S+ 0 0 0 -4,-0.9 4,-2.7 -5,-0.2 -2,-0.2 0.988 108.2 44.0 -57.0 -63.4 -30.4 -26.6 18.1 96 107 A I H X S+ 0 0 21 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.844 110.9 58.5 -49.1 -40.1 -29.2 -24.1 15.5 97 108 A K H X S+ 0 0 158 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.972 110.3 40.0 -53.7 -59.3 -27.9 -22.0 18.4 98 109 A E H X S+ 0 0 50 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.855 115.0 55.8 -60.4 -35.3 -25.6 -24.8 19.6 99 110 A R H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.936 108.5 44.8 -62.6 -50.6 -24.8 -25.6 15.9 100 111 A K H X S+ 0 0 37 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.845 107.6 59.6 -62.8 -36.7 -23.6 -22.1 15.0 101 112 A A H X S+ 0 0 53 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.895 109.2 44.0 -59.4 -40.3 -21.6 -21.9 18.2 102 113 A I H X S+ 0 0 48 -4,-1.5 4,-1.7 -3,-0.2 5,-0.2 0.944 115.4 46.9 -70.3 -47.0 -19.7 -24.9 17.1 103 114 A M H X S+ 0 0 16 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.744 112.7 51.0 -66.5 -26.3 -19.3 -23.7 13.5 104 115 A S H X S+ 0 0 18 -4,-2.4 4,-1.7 2,-0.2 5,-0.2 0.804 107.8 50.1 -82.5 -32.9 -18.2 -20.2 14.7 105 116 A H H X S+ 0 0 128 -4,-1.5 4,-2.9 -5,-0.2 5,-0.2 0.988 117.1 39.9 -65.9 -59.4 -15.5 -21.4 17.1 106 117 A I H < S+ 0 0 46 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.904 118.4 46.5 -55.1 -51.1 -13.8 -23.6 14.5 107 118 A A H >< S+ 0 0 27 -4,-1.4 3,-0.5 -5,-0.2 4,-0.4 0.870 115.1 47.8 -62.9 -39.9 -14.2 -21.2 11.6 108 119 A S H >X S+ 0 0 56 -4,-1.7 4,-3.7 1,-0.2 3,-3.0 0.997 113.2 45.1 -62.9 -63.8 -13.0 -18.3 13.7 109 120 A D T 3< S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.452 114.2 53.2 -60.2 1.2 -9.9 -20.1 15.1 110 121 A M T <4 S+ 0 0 10 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.459 121.7 28.7-111.7 -7.2 -9.4 -21.3 11.5 111 122 A T T X4 S+ 0 0 45 -3,-3.0 3,-2.8 -4,-0.4 -2,-0.2 0.584 89.4 100.9-123.6 -25.0 -9.5 -17.8 10.1 112 123 A S T 3< S+ 0 0 87 -4,-3.7 -3,-0.1 1,-0.3 4,-0.1 0.575 78.2 56.6 -42.4 -24.9 -8.3 -15.7 13.0 113 124 A D T 3 S+ 0 0 105 2,-0.1 -1,-0.3 -4,-0.0 2,-0.2 0.397 88.9 99.4 -94.0 4.8 -4.7 -15.2 11.7 114 125 A F S < S- 0 0 31 -3,-2.8 2,-0.6 1,-0.1 -3,-0.1 -0.506 84.7-104.2 -88.8 160.1 -5.8 -13.7 8.5 115 126 A D >> - 0 0 98 1,-0.2 3,-2.4 -2,-0.2 4,-1.6 -0.739 26.6-132.4 -83.0 122.0 -5.9 -10.1 7.6 116 127 A S H 3> S+ 0 0 79 -2,-0.6 4,-3.0 1,-0.3 5,-0.2 0.834 110.6 59.3 -41.5 -37.1 -9.6 -9.0 7.8 117 128 A K H 3> S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.874 103.7 51.0 -63.3 -34.6 -8.9 -7.4 4.4 118 129 A E H <> S+ 0 0 68 -3,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.969 112.6 43.9 -65.6 -53.0 -7.9 -10.8 3.1 119 130 A I H X S+ 0 0 25 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.924 112.9 52.2 -57.2 -49.0 -11.1 -12.5 4.3 120 131 A E H X S+ 0 0 102 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.842 109.3 49.7 -58.1 -36.6 -13.3 -9.6 3.1 121 132 A K H X S+ 0 0 61 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.896 109.4 52.6 -68.7 -41.2 -11.8 -9.8 -0.4 122 133 A V H >X S+ 0 0 13 -4,-2.1 4,-1.7 1,-0.2 3,-0.6 0.957 111.6 45.3 -57.1 -53.1 -12.4 -13.6 -0.4 123 134 A R H 3X S+ 0 0 44 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.871 106.4 59.0 -59.6 -41.7 -16.0 -13.1 0.4 124 135 A Q H 3X S+ 0 0 119 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.823 108.8 46.4 -58.5 -31.3 -16.6 -10.2 -2.1 125 136 A V H X S+ 0 0 7 -4,-2.9 4,-2.5 2,-0.2 3,-0.6 0.988 106.9 49.2 -61.6 -60.3 -25.2 -18.2 -9.7 134 145 A Q H 3X S+ 0 0 76 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.893 110.6 48.9 -44.2 -55.7 -28.6 -17.2 -8.4 135 146 A S H 3X S+ 0 0 61 -4,-1.7 4,-1.1 1,-0.2 -1,-0.3 0.842 110.7 51.7 -58.1 -34.4 -29.5 -15.2 -11.5 136 147 A Y H X< S+ 0 0 49 -4,-1.6 3,-0.8 -3,-0.6 4,-0.3 0.950 106.8 53.4 -67.1 -45.5 -28.5 -18.1 -13.7 137 148 A T H >< S+ 0 0 23 -4,-2.5 3,-2.5 1,-0.3 -2,-0.2 0.894 101.3 60.4 -52.9 -45.2 -30.7 -20.4 -11.6 138 149 A S H 3< S+ 0 0 93 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.866 104.9 47.8 -52.4 -40.3 -33.6 -18.1 -12.2 139 150 A K T << 0 0 153 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.474 360.0 360.0 -78.6 -2.0 -33.3 -18.7 -15.9 140 151 A L < 0 0 133 -3,-2.5 -3,-0.2 -4,-0.3 -2,-0.2 0.963 360.0 360.0 72.2 360.0 -33.1 -22.4 -15.0 141 !* 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 0.0 142 5 B I 0 0 142 0, 0.0 -34,-0.0 0, 0.0 -35,-0.0 0.000 360.0 360.0 360.0 -51.4 -17.7 -13.0 11.5 143 6 B E > + 0 0 112 -36,-0.0 4,-1.4 2,-0.0 -40,-0.0 0.298 360.0 59.6-140.7 -17.0 -20.6 -15.5 11.8 144 7 B D H > S+ 0 0 81 2,-0.2 4,-2.5 3,-0.2 5,-0.1 0.387 93.6 65.8 -96.6 1.8 -22.5 -14.5 8.7 145 8 B H H > S+ 0 0 57 2,-0.2 4,-3.7 3,-0.2 5,-0.2 0.865 105.7 45.8 -78.1 -41.8 -19.4 -15.4 6.8 146 9 B I H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 114.9 45.4 -60.8 -49.9 -20.4 -18.8 8.1 147 10 B S H X S+ 0 0 53 -4,-1.4 4,-3.1 2,-0.2 5,-0.3 0.965 114.6 48.5 -59.5 -51.5 -24.0 -18.1 7.1 148 11 B F H X S+ 0 0 19 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.940 109.3 52.3 -53.1 -51.3 -22.9 -16.8 3.7 149 12 B L H X S+ 0 0 41 -4,-3.7 4,-2.5 1,-0.2 -1,-0.2 0.923 111.5 47.8 -53.0 -43.3 -20.7 -19.8 3.2 150 13 B E H X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.943 113.7 45.5 -63.7 -46.6 -23.7 -22.0 3.9 151 14 B K H X S+ 0 0 71 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.853 112.4 52.8 -64.1 -34.9 -26.0 -20.0 1.6 152 15 B F H X S+ 0 0 3 -4,-3.6 4,-2.3 -5,-0.3 -1,-0.2 0.904 111.6 45.2 -67.0 -41.9 -23.2 -20.1 -1.1 153 16 B I H X S+ 0 0 7 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.862 111.0 53.2 -70.5 -35.0 -22.9 -23.9 -0.8 154 17 B N H X S+ 0 0 5 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.889 110.5 48.6 -66.9 -36.9 -26.7 -24.3 -0.9 155 18 B D H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.950 108.7 51.0 -67.7 -48.9 -26.8 -22.2 -4.1 156 19 B V H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.862 109.3 52.2 -57.1 -37.1 -24.0 -24.1 -5.9 157 20 B N H X S+ 0 0 31 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.943 110.1 48.4 -65.6 -44.0 -25.8 -27.4 -5.1 158 21 B T H X S+ 0 0 16 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.845 112.3 48.2 -64.5 -37.1 -29.0 -26.1 -6.5 159 22 B L H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.912 114.2 46.8 -69.5 -41.0 -27.3 -24.9 -9.7 160 23 B T H X S+ 0 0 21 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.924 108.3 54.3 -66.5 -45.8 -25.5 -28.2 -10.1 161 24 B A H < S+ 0 0 28 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.965 114.6 41.4 -51.1 -57.2 -28.6 -30.3 -9.5 162 25 B K H >< S+ 0 0 84 -4,-1.7 3,-1.1 1,-0.2 4,-0.4 0.898 114.7 48.7 -57.8 -50.2 -30.5 -28.4 -12.3 163 26 B L H 3< S+ 0 0 37 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.804 119.0 40.9 -62.7 -30.8 -27.6 -28.2 -14.8 164 27 B L T 3X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 0.313 85.4 106.0-100.7 7.8 -26.9 -31.9 -14.4 165 28 B K H <> S+ 0 0 119 -3,-1.1 4,-1.3 -4,-0.2 -1,-0.1 0.947 83.8 38.7 -50.3 -59.2 -30.6 -32.9 -14.3 166 29 B D H > S+ 0 0 128 -4,-0.4 4,-2.8 1,-0.2 3,-0.5 0.921 112.2 54.9 -60.8 -50.0 -30.7 -34.4 -17.7 167 30 B L H > S+ 0 0 13 -4,-0.3 4,-1.3 1,-0.3 6,-0.2 0.909 107.8 50.8 -51.1 -47.3 -27.3 -36.1 -17.7 168 31 B Q H X>S+ 0 0 18 -4,-2.1 5,-1.1 1,-0.2 4,-0.7 0.827 111.0 49.2 -61.4 -33.1 -28.2 -37.9 -14.5 169 32 B T H ><5S+ 0 0 87 -4,-1.3 3,-0.8 -3,-0.5 -2,-0.2 0.921 106.7 54.5 -71.1 -44.7 -31.4 -39.1 -16.1 170 33 B E H 3<5S+ 0 0 132 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.749 114.7 42.9 -58.8 -26.0 -29.6 -40.3 -19.3 171 34 B Y H 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.551 104.7-126.1 -97.3 -12.4 -27.4 -42.4 -16.9 172 35 B G T <<5 + 0 0 65 -3,-0.8 2,-0.2 -4,-0.7 -3,-0.2 0.533 67.3 136.6 76.6 4.1 -30.2 -43.7 -14.6 173 36 B I < - 0 0 10 -5,-1.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.563 49.1-134.9 -84.0 144.9 -28.1 -42.3 -11.8 174 37 B S > - 0 0 31 -2,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.376 24.9-109.4 -90.8 176.3 -29.8 -40.3 -8.9 175 38 B A H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.921 121.9 56.7 -70.9 -42.9 -28.5 -37.0 -7.5 176 39 B E H > S+ 0 0 59 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.958 112.2 41.2 -48.9 -56.2 -27.6 -39.0 -4.3 177 40 B Q H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.865 106.7 63.3 -61.3 -41.6 -25.4 -41.3 -6.5 178 41 B S H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.3 5,-0.2 0.900 100.3 52.4 -51.3 -46.8 -24.0 -38.4 -8.6 179 42 B H H X S+ 0 0 36 -4,-2.0 4,-2.1 -3,-0.3 -1,-0.3 0.878 105.9 54.1 -61.3 -36.5 -22.3 -36.9 -5.6 180 43 B V H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.3 -1,-0.2 0.915 108.2 50.9 -63.1 -39.6 -20.7 -40.1 -4.8 181 44 B L H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.852 112.5 44.0 -65.3 -36.3 -19.3 -40.2 -8.4 182 45 B N H X S+ 0 0 11 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.790 111.6 55.6 -77.5 -27.7 -17.9 -36.7 -8.1 183 46 B M H X S+ 0 0 2 -4,-2.1 4,-1.3 -5,-0.2 3,-0.2 0.811 109.6 45.6 -70.9 -34.4 -16.6 -37.5 -4.6 184 47 B L H < S+ 0 0 8 -4,-1.7 43,-0.4 2,-0.2 -1,-0.2 0.515 95.1 74.3 -86.6 -10.6 -14.7 -40.5 -6.1 185 48 B S H 4 S+ 0 0 50 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 107.4 38.1 -66.7 -32.5 -13.4 -38.4 -9.0 186 49 B I H < S+ 0 0 73 -4,-0.6 2,-0.3 -3,-0.2 -2,-0.2 0.872 130.2 7.2 -81.8 -47.5 -11.2 -37.0 -6.2 187 50 B E < - 0 0 94 -4,-1.3 2,-0.7 38,-0.1 -1,-0.2 -0.905 63.3-117.0-138.8 167.8 -10.4 -40.2 -4.2 188 51 B A - 0 0 42 -2,-0.3 2,-0.3 38,-0.1 38,-0.2 -0.932 50.7-175.5-103.1 109.2 -10.8 -43.9 -4.1 189 52 B L B -B 225 0B 1 36,-1.4 36,-1.6 -2,-0.7 2,-0.2 -0.778 29.5-126.3-116.8 158.4 -12.9 -44.5 -1.0 190 53 B T > - 0 0 57 -2,-0.3 4,-2.6 34,-0.2 5,-0.2 -0.582 39.8-108.8 -88.0 156.1 -14.3 -47.3 1.1 191 54 B V H > S+ 0 0 27 32,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.828 124.4 51.8 -57.5 -28.9 -18.1 -47.2 1.6 192 55 B G H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.960 106.1 51.4 -70.5 -50.4 -17.2 -46.2 5.2 193 56 B Q H > S+ 0 0 92 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.939 113.4 46.0 -50.2 -49.6 -14.9 -43.4 4.1 194 57 B I H < S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.871 111.4 53.1 -60.0 -39.7 -17.8 -42.1 1.9 195 58 B T H X S+ 0 0 18 -4,-1.9 4,-1.2 -5,-0.2 3,-0.5 0.849 114.3 40.1 -65.8 -37.9 -20.3 -42.5 4.8 196 59 B E H < S+ 0 0 87 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.838 108.1 59.8 -81.3 -35.3 -18.2 -40.5 7.3 197 60 B K T < S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.415 120.7 31.1 -72.3 6.1 -17.2 -37.9 4.8 198 61 B Q T 4 S- 0 0 14 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.505 92.0-137.1-138.5 -16.8 -21.0 -37.3 4.4 199 62 B G < + 0 0 17 -4,-1.2 -163,-0.5 1,-0.2 -3,-0.1 0.428 59.5 126.7 69.6 0.1 -22.6 -38.1 7.8 200 63 B V S S- 0 0 13 -5,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.345 72.7 -67.9 -85.2 170.0 -25.6 -40.0 6.2 201 64 B N >> - 0 0 108 1,-0.1 4,-1.4 -3,-0.1 3,-0.7 -0.339 38.5-133.2 -60.3 130.1 -26.8 -43.5 7.1 202 65 B K H 3> S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.871 105.0 60.1 -50.1 -45.3 -24.3 -46.2 6.1 203 66 B A H 3> S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 102.6 52.3 -50.5 -46.5 -27.2 -48.3 4.6 204 67 B A H <> S+ 0 0 20 -3,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.870 110.8 45.8 -59.7 -42.1 -27.9 -45.5 2.2 205 68 B V H X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.3 -1,-0.2 0.827 112.1 53.7 -70.8 -32.0 -24.3 -45.3 1.0 206 69 B S H X S+ 0 0 33 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.936 108.0 49.1 -64.6 -50.4 -24.3 -49.1 0.7 207 70 B R H X S+ 0 0 77 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.855 113.7 45.9 -57.5 -42.1 -27.3 -49.1 -1.5 208 71 B R H X S+ 0 0 19 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.778 110.8 50.9 -76.5 -30.3 -26.0 -46.5 -3.8 209 72 B V H X S+ 0 0 5 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.873 109.5 50.2 -75.2 -37.9 -22.5 -47.9 -4.2 210 73 B K H X S+ 0 0 144 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.737 110.1 52.4 -70.9 -21.7 -23.8 -51.3 -5.1 211 74 B K H X S+ 0 0 46 -4,-0.7 4,-0.9 -5,-0.2 -1,-0.2 0.817 108.1 50.2 -80.8 -32.0 -26.0 -49.6 -7.6 212 75 B L H <>S+ 0 0 1 -4,-1.3 5,-2.8 2,-0.2 6,-1.2 0.798 111.5 48.7 -75.8 -27.3 -23.0 -47.9 -9.1 213 76 B L H ><5S+ 0 0 58 -4,-1.6 3,-2.4 3,-0.2 -2,-0.2 0.940 109.9 49.9 -74.4 -48.1 -21.2 -51.2 -9.3 214 77 B N H 3<5S+ 0 0 145 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.779 112.6 49.4 -59.7 -23.8 -24.1 -52.9 -11.0 215 78 B A T 3<5S- 0 0 43 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.413 108.9-129.7 -93.4 -0.2 -24.1 -49.9 -13.3 216 79 B E T < 5S+ 0 0 135 -3,-2.4 14,-0.5 1,-0.1 15,-0.4 0.799 76.7 121.4 54.7 30.0 -20.4 -50.4 -13.9 217 80 B L S - 0 0 13 -11,-1.3 4,-1.8 -2,-0.1 5,-0.1 -0.464 34.6 -99.4 -94.5 175.8 -14.8 -47.1 -13.7 229 101 B N H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.770 123.9 52.4 -70.1 -29.0 -14.3 -45.6 -17.2 230 102 B K H > S+ 0 0 127 -14,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.844 111.9 48.6 -73.0 -31.6 -18.0 -45.3 -17.9 231 103 B G H > S+ 0 0 0 -15,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.870 107.7 55.4 -72.3 -36.6 -18.2 -43.5 -14.6 232 104 B K H X S+ 0 0 67 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.839 102.1 55.5 -64.5 -36.7 -15.3 -41.3 -15.7 233 105 B K H X S+ 0 0 102 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.823 105.5 53.0 -67.8 -29.3 -17.0 -40.2 -18.8 234 106 B Y H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.960 108.0 49.9 -68.3 -47.5 -19.9 -39.0 -16.7 235 107 B I H X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.749 113.7 46.8 -61.3 -23.0 -17.4 -37.0 -14.6 236 108 B K H 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