==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 19-DEC-08 3FM5 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR B.NOCEK,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MI . 546 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 77.3 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 . 31 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 13 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 3 0 0 2 3 3 0 4 0 0 0 1 3 1 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 4 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 51 0, 0.0 402,-0.1 0, 0.0 399,-0.1 0.000 360.0 360.0 360.0 -0.3 12.2 32.3 95.2 2 2 A A - 0 0 104 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.177 360.0 -10.9-154.1 -71.9 14.5 29.5 94.1 3 3 A E S S+ 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.067 96.7 146.3-123.2 17.6 15.9 27.4 97.0 4 4 A S - 0 0 34 1,-0.1 5,-0.0 5,-0.1 0, 0.0 -0.154 41.6-158.9 -56.4 146.5 14.6 29.9 99.5 5 5 A Q + 0 0 62 315,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.336 56.7 113.0-109.5 4.4 13.4 28.7 102.9 6 6 A A >> - 0 0 29 1,-0.1 3,-1.9 314,-0.0 4,-0.5 -0.615 65.0-142.0 -84.2 134.3 11.2 31.7 103.6 7 7 A L G >4 S+ 0 0 1 -2,-0.3 3,-1.1 1,-0.3 7,-0.2 0.812 101.2 69.6 -57.8 -31.0 7.4 31.5 103.8 8 8 A S G 34 S+ 0 0 41 1,-0.3 -1,-0.3 5,-0.1 402,-0.1 0.591 100.5 46.9 -67.9 -9.5 7.4 34.9 102.1 9 9 A D G <4 S+ 0 0 37 -3,-1.9 2,-0.7 398,-0.0 -1,-0.3 0.512 81.5 111.7-104.3 -11.3 8.7 33.2 98.9 10 10 A D S+ 0 0 5 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.799 89.2 53.0 -63.2 -33.0 4.0 31.0 96.0 12 12 A G H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 109.9 48.3 -65.8 -46.4 1.1 28.9 97.3 13 13 A F H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 112.1 49.8 -56.9 -46.1 1.1 30.8 100.6 14 14 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.901 109.4 50.8 -61.9 -45.4 1.2 34.1 98.7 15 15 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.910 114.9 42.3 -57.8 -46.8 -1.7 33.2 96.5 16 16 A S H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.895 114.9 50.7 -72.4 -38.0 -3.9 32.2 99.4 17 17 A R H X S+ 0 0 63 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.974 117.8 37.6 -62.5 -54.1 -2.9 35.1 101.5 18 18 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.900 115.3 54.8 -66.4 -40.4 -3.5 37.7 98.8 19 19 A G H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.915 109.2 48.2 -55.8 -44.9 -6.6 35.9 97.5 20 20 A G H X S+ 0 0 42 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.875 111.0 50.1 -66.1 -39.9 -8.1 36.0 101.0 21 21 A X H X S+ 0 0 45 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.941 113.4 45.1 -63.1 -47.8 -7.4 39.7 101.5 22 22 A V H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.932 111.9 51.7 -63.5 -45.8 -9.0 40.6 98.1 23 23 A L H X S+ 0 0 69 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.905 109.8 50.6 -57.5 -42.3 -12.0 38.4 98.8 24 24 A G H X S+ 0 0 38 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.927 112.9 45.3 -62.0 -45.8 -12.5 40.0 102.1 25 25 A A H X S+ 0 0 20 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.916 111.7 51.5 -63.3 -46.2 -12.3 43.5 100.7 26 26 A V H X S+ 0 0 6 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.895 107.5 53.2 -63.0 -39.7 -14.6 42.7 97.7 27 27 A N H X S+ 0 0 56 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.916 109.4 48.7 -61.1 -42.8 -17.3 41.2 100.1 28 28 A K H >< S+ 0 0 158 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.924 110.4 51.7 -60.0 -44.6 -17.2 44.5 102.1 29 29 A A H 3< S+ 0 0 28 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.811 107.5 53.1 -62.7 -31.0 -17.5 46.5 98.9 30 30 A L H >X>S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 5,-0.9 0.529 80.8 97.4 -83.2 -7.0 -20.6 44.4 97.8 31 31 A V G X<5S+ 0 0 104 -3,-1.2 3,-1.6 -4,-0.5 -1,-0.2 0.920 84.0 45.3 -50.6 -54.9 -22.5 44.9 101.1 32 32 A P G 345S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.824 108.9 60.4 -59.0 -27.6 -24.7 47.8 99.8 33 33 A T G <45S- 0 0 3 -3,-0.6 -2,-0.2 -4,-0.3 3,-0.1 0.708 105.6-129.3 -74.4 -20.9 -25.3 45.8 96.7 34 34 A G T <<5S+ 0 0 26 -3,-1.6 2,-0.2 -4,-1.0 -3,-0.2 0.359 72.1 108.9 86.1 -5.3 -26.9 42.9 98.6 35 35 A L < - 0 0 8 -5,-0.9 -1,-0.3 4,-0.1 2,-0.3 -0.523 55.7-148.7 -98.2 166.2 -24.6 40.4 96.9 36 36 A R > - 0 0 54 -2,-0.2 4,-2.7 -3,-0.1 5,-0.3 -0.722 42.9 -93.1-117.2 175.6 -21.6 38.4 98.1 37 37 A V H > S+ 0 0 32 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.908 125.5 49.2 -58.6 -39.3 -18.7 37.3 95.9 38 38 A R H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 114.1 41.7 -68.8 -47.0 -20.4 34.0 95.1 39 39 A S H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.931 113.8 54.0 -65.0 -44.1 -23.8 35.4 94.2 40 40 A Y H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.907 104.7 56.1 -52.4 -44.2 -22.2 38.3 92.3 41 41 A S H X S+ 0 0 6 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.900 107.0 47.9 -57.0 -44.0 -20.2 35.7 90.3 42 42 A V H X S+ 0 0 2 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.900 110.2 51.8 -66.2 -40.7 -23.4 34.0 89.2 43 43 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 109.4 51.2 -60.1 -43.6 -25.0 37.3 88.2 44 44 A V H X S+ 0 0 3 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.923 107.1 52.3 -59.1 -46.8 -21.8 38.0 86.1 45 45 A L H X S+ 0 0 11 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.854 109.9 50.4 -58.4 -35.4 -22.0 34.6 84.4 46 46 A A H < S+ 0 0 0 -4,-1.7 42,-0.5 1,-0.2 6,-0.4 0.887 109.6 48.7 -71.0 -40.6 -25.6 35.4 83.4 47 47 A C H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.714 95.7 76.2 -73.1 -21.2 -24.8 38.8 82.0 48 48 A E H < S+ 0 0 69 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.965 94.6 49.3 -53.4 -58.9 -22.0 37.4 79.9 49 49 A Q S >< S- 0 0 107 -4,-0.8 3,-0.5 3,-0.3 -1,-0.1 -0.752 88.8-131.8 -86.2 124.7 -24.3 35.9 77.4 50 50 A A T 3 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.656 99.4 17.4 -50.0 -15.6 -26.9 38.4 76.2 51 51 A E T 3 S- 0 0 177 1,-0.3 -1,-0.3 36,-0.1 36,-0.1 -0.563 116.6 -8.8-163.7 92.1 -29.4 35.7 76.8 52 52 A G < - 0 0 24 -3,-0.5 -3,-0.3 -6,-0.4 -1,-0.3 -0.051 36.2-161.3 112.5 155.1 -28.8 32.6 79.0 53 53 A V - 0 0 34 -5,-0.1 -1,-0.1 -2,-0.0 -7,-0.1 -0.799 26.5-117.8-170.8 134.1 -26.4 30.5 80.9 54 54 A N - 0 0 105 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.110 11.7-135.6 -66.8-177.3 -26.6 26.9 82.1 55 55 A Q S >> S+ 0 0 74 2,-0.1 3,-1.6 3,-0.1 4,-1.1 0.801 97.0 51.5-107.9 -49.1 -26.5 25.6 85.7 56 56 A R H 3> S+ 0 0 81 1,-0.3 4,-0.9 2,-0.2 -2,-0.0 0.713 105.3 60.8 -65.0 -20.2 -24.2 22.6 85.8 57 57 A G H 3> S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.651 98.0 59.3 -79.5 -16.4 -21.5 24.7 84.1 58 58 A V H <> S+ 0 0 3 -3,-1.6 4,-2.7 2,-0.2 5,-0.4 0.927 99.7 52.9 -76.5 -48.2 -21.6 27.1 87.0 59 59 A A H X>S+ 0 0 14 -4,-1.1 5,-1.9 1,-0.2 4,-1.6 0.871 112.5 48.0 -53.7 -38.5 -20.6 24.5 89.6 60 60 A A H <5S+ 0 0 66 -4,-0.9 -1,-0.2 3,-0.2 -2,-0.2 0.889 114.7 42.9 -70.9 -41.6 -17.6 23.7 87.4 61 61 A T H <5S+ 0 0 33 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.752 122.9 38.2 -79.9 -24.7 -16.6 27.3 86.9 62 62 A X H <5S- 0 0 26 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.697 105.8-124.6 -92.8 -24.9 -17.1 28.3 90.5 63 63 A G T <5S+ 0 0 50 -4,-1.6 -3,-0.2 -5,-0.4 2,-0.2 0.866 74.1 109.6 76.9 39.1 -15.8 25.1 91.9 64 64 A L < - 0 0 22 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.620 67.2 -96.9-128.7-171.0 -19.0 24.5 93.9 65 65 A D >> - 0 0 93 -2,-0.2 4,-1.7 -3,-0.1 3,-1.0 -0.849 30.4-107.6-118.7 154.3 -21.9 22.2 93.7 66 66 A P H 3> S+ 0 0 72 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.820 115.8 61.2 -41.6 -47.8 -25.5 22.5 92.3 67 67 A S H 3> S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 107.6 43.5 -47.2 -52.5 -27.0 22.8 95.7 68 68 A Q H <> S+ 0 0 49 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.862 113.9 51.7 -64.5 -37.5 -25.1 26.0 96.4 69 69 A I H X S+ 0 0 1 -4,-1.7 4,-3.6 2,-0.2 5,-0.4 0.944 106.0 54.0 -63.2 -50.0 -25.9 27.2 92.9 70 70 A V H X S+ 0 0 53 -4,-3.6 4,-2.8 1,-0.2 5,-0.2 0.954 111.8 44.8 -46.6 -58.1 -29.6 26.6 93.4 71 71 A G H X S+ 0 0 24 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.901 114.4 50.3 -53.0 -44.7 -29.5 28.7 96.6 72 72 A L H X S+ 0 0 7 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.933 113.5 42.5 -63.5 -48.9 -27.4 31.3 94.8 73 73 A V H X S+ 0 0 0 -4,-3.6 4,-3.5 1,-0.2 5,-0.2 0.844 112.7 55.7 -66.7 -32.5 -29.7 31.7 91.8 74 74 A D H X S+ 0 0 66 -4,-2.8 4,-2.4 -5,-0.4 -2,-0.2 0.894 104.9 52.0 -65.5 -40.4 -32.7 31.6 94.1 75 75 A E H < S+ 0 0 45 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.895 116.0 42.0 -59.5 -40.2 -31.3 34.5 96.0 76 76 A L H ><>S+ 0 0 2 -4,-1.6 5,-2.7 2,-0.2 3,-1.1 0.922 115.3 46.9 -74.6 -47.6 -30.9 36.4 92.7 77 77 A E H ><5S+ 0 0 73 -4,-3.5 3,-1.6 1,-0.3 -2,-0.2 0.854 103.9 63.6 -62.9 -35.2 -34.3 35.3 91.2 78 78 A E T 3<5S+ 0 0 163 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.738 108.6 41.7 -62.2 -22.3 -36.0 36.2 94.5 79 79 A R T < 5S- 0 0 98 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.369 118.6-113.4-102.4 0.6 -34.9 39.8 93.8 80 80 A G T < 5S+ 0 0 31 -3,-1.6 12,-0.5 -4,-0.2 11,-0.3 0.804 80.9 127.0 70.7 29.9 -35.8 39.6 90.1 81 81 A L S - 0 0 29 -8,-1.8 4,-3.1 -2,-0.1 5,-0.2 -0.528 34.4 -96.4-100.8 170.5 -33.1 41.1 83.9 90 100 A E H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.937 130.9 47.5 -46.7 -47.5 -32.9 44.7 83.1 91 101 A E H >> S+ 0 0 101 -11,-0.3 4,-2.7 2,-0.2 3,-0.8 0.970 107.0 52.5 -62.2 -57.7 -32.4 45.0 86.8 92 102 A G H 3> S+ 0 0 0 -12,-0.5 4,-3.2 1,-0.3 5,-0.2 0.935 109.3 51.1 -42.8 -52.4 -29.8 42.4 87.2 93 103 A R H 3X S+ 0 0 76 -4,-3.1 4,-1.6 1,-0.3 -1,-0.3 0.849 110.5 48.9 -62.6 -31.1 -27.8 44.0 84.5 94 104 A R H X S+ 0 0 5 -4,-2.1 4,-0.6 1,-0.2 3,-0.6 0.941 109.8 49.5 -61.0 -50.1 -11.9 47.2 95.9 107 117 A H H >X S+ 0 0 19 -4,-2.6 4,-2.5 1,-0.2 3,-1.4 0.888 106.1 59.8 -54.6 -40.4 -9.4 45.6 93.6 108 118 A G H 3X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.842 92.8 63.8 -58.9 -37.1 -7.9 49.0 93.1 109 119 A R H << S+ 0 0 222 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.779 116.0 31.8 -60.0 -24.8 -7.1 49.4 96.8 110 120 A Y H << S+ 0 0 66 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.785 128.0 35.2-100.4 -35.4 -4.7 46.5 96.5 111 121 A F H >< S+ 0 0 16 -4,-2.5 3,-2.5 2,-0.1 -3,-0.2 0.684 83.1 109.2-101.3 -20.2 -3.4 46.8 92.9 112 122 A E T 3< S+ 0 0 165 -4,-2.6 -4,-0.0 -5,-0.3 0, 0.0 -0.355 82.9 32.8 -54.9 131.8 -3.2 50.6 92.4 113 123 A G T 3 S+ 0 0 73 1,-0.4 -1,-0.3 -2,-0.0 -2,-0.1 0.071 94.6 102.8 101.9 -23.7 0.5 51.5 92.4 114 124 A I S < S- 0 0 22 -3,-2.5 -1,-0.4 1,-0.1 5,-0.1 -0.822 88.5-103.4 -88.8 127.6 1.4 48.2 90.7 115 125 A P > - 0 0 78 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.191 24.5-126.1 -55.4 143.6 2.1 48.8 87.0 116 126 A D H > S+ 0 0 121 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.862 107.7 56.9 -60.9 -39.7 -0.8 47.7 84.8 117 127 A T H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 108.3 49.4 -59.0 -37.7 1.4 45.5 82.6 118 128 A V H > S+ 0 0 18 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.930 114.8 42.2 -68.4 -46.1 2.5 43.6 85.7 119 129 A V H X S+ 0 0 13 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 113.8 52.9 -64.8 -43.5 -1.0 43.1 86.9 120 130 A N H X S+ 0 0 79 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.872 108.8 50.7 -60.1 -38.0 -2.3 42.2 83.4 121 131 A Q H X S+ 0 0 73 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.897 106.9 53.0 -68.7 -40.3 0.4 39.6 83.1 122 132 A X H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.900 107.0 52.9 -61.8 -40.5 -0.4 38.0 86.4 123 133 A R H X S+ 0 0 52 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.945 108.7 51.2 -56.2 -48.3 -4.0 37.7 85.2 124 134 A D H X S+ 0 0 99 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.911 112.5 44.3 -55.3 -47.1 -2.7 36.0 82.1 125 135 A T H X S+ 0 0 11 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.899 112.0 51.8 -71.7 -38.3 -0.7 33.5 84.1 126 136 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.912 109.4 52.3 -59.2 -41.7 -3.5 32.8 86.6 127 137 A Q H X S+ 0 0 43 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.903 104.6 54.3 -61.2 -42.2 -5.8 32.2 83.6 128 138 A S H < S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.849 115.3 41.1 -62.8 -33.5 -3.4 29.6 82.1 129 139 A I H < S+ 0 0 10 -4,-1.5 -2,-0.2 -3,-0.1 -1,-0.2 0.915 118.9 42.3 -78.9 -47.6 -3.4 27.7 85.3 130 140 A A H < S+ 0 0 7 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.893 131.3 23.3 -68.0 -41.6 -7.1 28.0 86.2 131 141 A F < 0 0 77 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.759 360.0 360.0-130.5 84.4 -8.3 27.3 82.6 132 142 A P 0 0 152 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.339 360.0 360.0 -60.8 360.0 -5.6 25.4 80.6 133 !* 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 0.0 134 4 B S 0 0 93 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.8 -9.0 -5.2 90.4 135 5 B Q + 0 0 89 324,-0.1 2,-0.3 323,-0.0 323,-0.1 0.342 360.0 112.7 -97.4 4.1 -12.5 -6.2 89.3 136 6 B A > - 0 0 27 1,-0.1 3,-1.5 322,-0.0 4,-0.4 -0.607 64.8-144.4 -85.1 134.1 -13.6 -6.7 93.0 137 7 B L G > S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.3 7,-0.2 0.883 99.4 66.6 -59.8 -36.4 -16.1 -4.4 94.6 138 8 B S G 3 S+ 0 0 39 1,-0.3 -1,-0.3 5,-0.1 412,-0.1 0.615 98.5 51.9 -64.1 -13.1 -14.2 -4.7 97.8 139 9 B D G < S+ 0 0 52 -3,-1.5 2,-0.7 4,-0.0 -1,-0.3 0.525 80.6 111.3 -96.1 -8.2 -11.3 -2.8 96.3 140 10 B D <> - 0 0 24 -3,-1.9 4,-2.6 -4,-0.4 3,-0.2 -0.558 58.8-155.9 -70.3 109.3 -13.6 0.0 95.1 141 11 B I H > S+ 0 0 5 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.815 91.6 51.3 -60.7 -34.4 -12.5 2.9 97.3 142 12 B G H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 110.2 49.4 -68.6 -40.4 -15.8 4.7 97.0 143 13 B F H > S+ 0 0 18 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.940 111.3 49.9 -61.6 -46.3 -17.7 1.6 98.0 144 14 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.913 109.9 50.3 -60.3 -43.9 -15.4 1.2 101.0 145 15 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 285,-0.2 0.918 114.2 44.0 -60.6 -44.7 -15.9 4.8 102.1 146 16 B S H X S+ 0 0 47 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.903 115.0 49.3 -68.8 -41.0 -19.7 4.5 101.9 147 17 B R H X S+ 0 0 59 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.960 117.5 37.8 -63.0 -55.4 -19.7 1.1 103.6 148 18 B V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.897 114.9 55.4 -65.8 -40.1 -17.5 2.0 106.5 149 19 B G H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.4 -1,-0.2 0.911 109.0 48.4 -56.8 -42.2 -19.1 5.5 106.8 150 20 B G H X S+ 0 0 38 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.872 109.9 51.5 -67.6 -37.4 -22.5 3.9 107.1 151 21 B X H X S+ 0 0 38 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 112.5 45.5 -65.3 -43.4 -21.3 1.5 109.7 152 22 B V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.923 110.2 54.1 -66.5 -44.0 -19.9 4.3 111.8 153 23 B L H X S+ 0 0 62 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.914 110.3 48.2 -53.6 -45.7 -23.0 6.4 111.4 154 24 B G H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.910 111.1 49.4 -62.8 -44.2 -25.1 3.5 112.7 155 25 B A H X S+ 0 0 19 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.878 112.6 48.5 -62.3 -38.9 -22.8 3.0 115.7 156 26 B V H X S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.903 107.5 53.2 -71.2 -41.0 -22.9 6.7 116.5 157 27 B N H < S+ 0 0 30 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.883 110.1 49.4 -61.1 -38.5 -26.7 6.9 116.3 158 28 B K H >< S+ 0 0 167 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.915 111.9 48.2 -63.9 -42.5 -26.9 4.1 118.7 159 29 B A H 3< S+ 0 0 14 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.827 109.4 54.2 -66.8 -32.4 -24.5 5.8 121.1 160 30 B L T >X>S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 5,-0.7 0.546 76.8 106.2 -78.1 -9.0 -26.4 9.1 120.8 161 31 B V G X45S+ 0 0 105 -3,-0.9 3,-1.6 -4,-0.5 -1,-0.2 0.837 77.2 47.8 -43.6 -51.6 -29.8 7.5 121.8 162 32 B P G 345S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.645 104.8 61.3 -71.6 -11.4 -30.0 9.0 125.4 163 33 B T G <45S- 0 0 3 -3,-2.2 -2,-0.2 2,-0.2 3,-0.1 0.579 104.4-127.6 -84.8 -11.4 -29.1 12.5 124.2 164 34 B G T <<5S+ 0 0 47 -3,-1.6 2,-0.2 -4,-0.6 -3,-0.1 0.395 74.1 113.5 77.5 -3.5 -32.2 12.6 122.0 165 35 B L < - 0 0 3 -5,-0.7 -1,-0.3 4,-0.1 2,-0.3 -0.519 52.1-155.8 -94.7 164.1 -29.9 13.5 119.1 166 36 B R > - 0 0 162 -2,-0.2 4,-3.0 -3,-0.1 5,-0.3 -0.792 44.0 -86.6-124.6 176.4 -28.9 11.7 115.9 167 37 B V H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.882 125.0 46.1 -52.3 -48.2 -25.7 12.3 113.8 168 38 B R H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 115.9 43.3 -64.9 -45.0 -27.1 15.1 111.7 169 39 B S H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.904 115.1 50.5 -69.3 -38.5 -28.6 17.1 114.6 170 40 B Y H X S+ 0 0 4 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.915 108.7 53.3 -59.3 -43.6 -25.5 16.5 116.7 171 41 B S H X S+ 0 0 5 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.921 108.8 47.6 -61.1 -45.2 -23.4 17.7 113.9 172 42 B V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.900 111.5 52.3 -61.1 -39.4 -25.3 20.9 113.6 173 43 B L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.908 108.1 50.4 -63.9 -43.9 -25.0 21.3 117.3 174 44 B V H X S+ 0 0 2 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.918 109.3 51.1 -57.4 -47.1 -21.2 20.9 117.2 175 45 B L H < S+ 0 0 10 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.909 109.6 50.0 -59.9 -42.3 -21.0 23.5 114.4 176 46 B A H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 51,-0.6 0.857 111.1 49.6 -63.7 -35.6 -23.0 26.0 116.5 177 47 B C H 3< S+ 0 0 12 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.711 90.2 80.1 -76.5 -21.8 -20.7 25.4 119.5 178 48 B E T 3< S+ 0 0 79 -4,-1.4 2,-0.4 -3,-0.3 -1,-0.2 0.799 98.2 44.0 -56.3 -30.0 -17.5 25.8 117.5 179 49 B Q < - 0 0 98 -3,-0.7 48,-0.3 -4,-0.5 4,-0.1 -0.928 67.7-147.4-120.1 142.3 -18.0 29.6 117.8 180 50 B A S S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.910 106.7 48.0 -66.0 -41.6 -19.0 31.7 120.8 181 51 B E S S- 0 0 170 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.938 113.5-121.5 -63.2 -50.8 -20.8 34.1 118.4 182 52 B G - 0 0 11 -7,-0.1 2,-0.3 44,-0.1 -1,-0.2 -0.947 24.3 -80.6 137.3-159.5 -22.6 31.3 116.5 183 53 B V E -B 225 0B 27 42,-1.6 42,-2.9 -2,-0.3 2,-0.1 -0.997 31.5-110.4-148.7 141.1 -22.7 30.2 112.9 184 54 B N E > -B 224 0B 39 -2,-0.3 4,-1.3 40,-0.2 40,-0.2 -0.447 24.1-133.1 -67.0 141.2 -24.5 31.2 109.6 185 55 B Q H > S+ 0 0 22 38,-2.5 4,-1.7 1,-0.2 5,-0.2 0.852 106.2 58.1 -65.1 -34.1 -27.2 28.8 108.5 186 56 B R H > S+ 0 0 88 37,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.956 105.0 48.8 -57.8 -51.6 -25.7 29.0 105.0 187 57 B G H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.795 105.5 59.5 -61.2 -30.1 -22.3 27.8 106.1 188 58 B V H X S+ 0 0 4 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.971 105.8 46.3 -63.7 -53.2 -23.9 24.9 108.0 189 59 B A H X>S+ 0 0 9 -4,-1.7 5,-2.4 1,-0.2 4,-1.6 0.910 113.3 49.7 -53.8 -47.8 -25.5 23.4 104.9 190 60 B A H <5S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.927 113.4 45.7 -59.1 -47.2 -22.2 23.8 102.9 191 61 B T H <5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 116.8 44.6 -63.2 -41.2 -20.2 22.2 105.6 192 62 B X H <5S- 0 0 22 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.688 106.1-126.9 -75.1 -19.8 -22.7 19.4 106.0 193 63 B G T <5 + 0 0 40 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.842 69.5 126.9 68.7 34.6 -23.1 18.9 102.3 194 64 B L < - 0 0 18 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.828 66.5-100.0-120.9 159.7 -26.8 19.3 102.8 195 65 B D >> - 0 0 74 -2,-0.3 4,-1.5 1,-0.1 3,-1.2 -0.448 33.8-117.1 -72.2 151.3 -29.6 21.5 101.3 196 66 B P H 3> S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.862 114.7 63.1 -55.6 -38.1 -30.7 24.5 103.4 197 67 B S H 3> S+ 0 0 91 1,-0.2 4,-1.0 2,-0.2 -2,-0.0 0.786 104.3 47.9 -60.0 -28.6 -34.2 23.0 103.7 198 68 B Q H <> S+ 0 0 70 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.843 107.8 54.1 -79.7 -35.7 -32.6 20.1 105.6 199 69 B I H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.860 104.3 56.6 -65.5 -34.3 -30.6 22.4 107.9 200 70 B V H X S+ 0 0 43 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.913 106.4 48.1 -64.4 -43.7 -33.8 24.3 108.8 201 71 B G H X S+ 0 0 42 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.869 113.7 47.7 -65.2 -38.0 -35.5 21.1 110.0 202 72 B L H X S+ 0 0 23 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.924 113.6 46.9 -67.0 -45.6 -32.5 20.1 112.1 203 73 B V H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.881 108.5 55.2 -65.6 -40.0 -32.2 23.6 113.6 204 74 B D H X S+ 0 0 68 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.918 106.7 52.7 -54.9 -45.0 -35.9 23.7 114.4 205 75 B E H X S+ 0 0 67 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.927 113.9 41.1 -57.7 -47.9 -35.4 20.4 116.3 206 76 B L H ><>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 3,-0.6 0.928 113.6 52.7 -67.2 -46.7 -32.5 21.9 118.4 207 77 B E H ><5S+ 0 0 75 -4,-3.3 3,-1.6 1,-0.3 -2,-0.2 0.896 105.5 54.6 -57.1 -42.9 -34.2 25.2 118.9 208 78 B E H 3<5S+ 0 0 175 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.797 108.2 49.7 -64.5 -28.2 -37.4 23.6 120.2 209 79 B R T <<5S- 0 0 112 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.442 117.7-115.5 -87.2 -1.5 -35.3 21.7 122.8 210 80 B G T < 5S+ 0 0 31 -3,-1.6 21,-0.4 -4,-0.4 20,-0.3 0.769 81.9 122.9 73.4 27.7 -33.7 25.0 123.8 211 81 B L S - 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