==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/RNA 14-MAR-11 3R2C . COMPND 2 MOLECULE: N UTILIZATION SUBSTANCE PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.R.STAGNO,X.JI . 434 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 77.0 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 . 50 11.5 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 . 2 0.5 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 . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 1 1 1 0 2 0 2 2 2 2 0 2 1 1 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 2 0 4 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 2 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 M > 0 0 105 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 123.4 -13.7 -28.7 13.5 2 2 A R T >> + 0 0 201 1,-0.3 3,-2.0 2,-0.2 4,-0.7 0.719 360.0 72.7 -65.9 -26.0 -12.9 -25.1 12.6 3 3 A Y H 3> S+ 0 0 76 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.779 86.1 71.3 -58.3 -23.1 -13.2 -23.5 16.1 4 4 A R H <> S+ 0 0 50 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.736 85.7 65.0 -66.3 -21.8 -9.9 -25.3 17.0 5 5 A K H <> S+ 0 0 55 -3,-2.0 4,-1.7 -4,-0.2 -1,-0.2 0.952 105.6 43.1 -62.2 -48.8 -8.1 -22.9 14.7 6 6 A G H X S+ 0 0 36 -4,-0.7 4,-2.3 -3,-0.2 -2,-0.2 0.876 111.5 55.0 -62.2 -37.6 -9.0 -20.0 17.1 7 7 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.877 105.8 52.1 -66.2 -36.8 -8.2 -22.2 20.1 8 8 A R H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.873 107.7 52.2 -65.7 -38.0 -4.7 -22.9 18.7 9 9 A D H X S+ 0 0 21 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.941 110.9 47.7 -62.1 -45.4 -4.1 -19.1 18.3 10 10 A T H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.946 113.7 46.9 -57.6 -49.1 -5.1 -18.6 22.0 11 11 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.903 111.2 51.5 -64.0 -42.3 -2.9 -21.4 23.1 12 12 A F H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.929 108.4 51.7 -58.5 -45.7 0.1 -20.1 21.1 13 13 A L H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.880 110.5 49.4 -60.3 -38.1 -0.3 -16.6 22.5 14 14 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.947 112.5 45.4 -67.9 -46.9 -0.3 -18.1 26.0 15 15 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.891 112.5 53.0 -62.2 -40.4 2.9 -20.1 25.4 16 16 A Y H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.949 112.8 43.4 -60.3 -48.8 4.5 -17.1 23.7 17 17 A R H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.2 5,-0.4 0.870 112.1 53.5 -64.1 -37.6 3.8 -14.9 26.7 18 18 A W H X S+ 0 0 49 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 108.2 50.2 -63.6 -42.8 4.8 -17.6 29.2 19 19 A D H < S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.906 117.3 40.9 -62.5 -40.6 8.2 -18.0 27.4 20 20 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.817 129.8 23.7 -78.4 -32.5 8.7 -14.2 27.6 21 21 A R H < S- 0 0 9 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.716 81.3-143.9-111.4 -29.6 7.4 -13.5 31.1 22 22 A G < + 0 0 53 -4,-2.6 -4,-0.1 -5,-0.4 2,-0.1 0.764 51.6 138.1 69.7 26.3 7.8 -16.8 33.0 23 23 A E - 0 0 37 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.398 66.5 -58.6 -97.2 179.0 4.6 -16.1 35.0 24 24 A N >> - 0 0 55 1,-0.2 4,-2.2 -2,-0.1 3,-0.6 -0.359 41.9-144.8 -60.3 121.2 1.8 -18.6 36.0 25 25 A P H 3> S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.845 99.6 58.7 -57.4 -35.1 0.3 -20.1 32.8 26 26 A G H 3> S+ 0 0 46 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.879 109.6 43.3 -58.5 -42.0 -3.1 -20.1 34.4 27 27 A E H <> S+ 0 0 84 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.826 113.3 51.1 -71.9 -37.5 -2.9 -16.3 34.9 28 28 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.876 108.5 53.2 -66.1 -36.9 -1.5 -15.7 31.4 29 29 A F H X S+ 0 0 15 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.911 106.7 51.5 -64.1 -43.6 -4.4 -17.8 30.0 30 30 A K H X S+ 0 0 131 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.916 108.8 52.4 -59.6 -42.0 -6.9 -15.6 31.8 31 31 A E H X S+ 0 0 33 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.927 111.4 44.8 -59.9 -47.0 -5.3 -12.5 30.3 32 32 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.909 110.5 53.8 -67.2 -40.8 -5.5 -13.8 26.7 33 33 A V H X>S+ 0 0 18 -4,-2.4 5,-2.1 1,-0.2 4,-0.5 0.917 111.6 46.1 -59.7 -43.2 -9.1 -15.0 27.1 34 34 A E H <5S+ 0 0 131 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.905 112.8 49.4 -67.6 -40.1 -10.1 -11.5 28.3 35 35 A E H <5S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 118.1 38.8 -67.7 -37.3 -8.2 -9.7 25.5 36 36 A K H <5S- 0 0 71 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.422 106.1-129.7 -89.7 -1.6 -9.7 -11.9 22.8 37 37 A N T <5 - 0 0 119 -4,-0.5 2,-0.3 -3,-0.4 -3,-0.2 0.928 31.0-168.3 49.3 51.6 -13.1 -12.0 24.5 38 38 A I < + 0 0 39 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.0 -0.580 21.6 157.9 -67.9 127.9 -13.3 -15.8 24.3 39 39 A K + 0 0 165 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.334 38.0 93.2-137.4 0.9 -16.9 -16.6 25.2 40 40 A N > - 0 0 89 1,-0.1 4,-2.3 0, 0.0 5,-0.3 -0.882 63.7-143.5-106.5 133.3 -17.6 -20.0 23.7 41 41 A K H > S+ 0 0 147 -2,-0.5 4,-2.5 1,-0.2 5,-0.3 0.857 97.4 59.8 -60.5 -35.7 -17.1 -23.2 25.7 42 42 A D H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.954 114.1 32.7 -59.4 -49.9 -15.8 -25.2 22.7 43 43 A A H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.818 118.6 53.6 -80.2 -33.5 -12.8 -22.9 22.0 44 44 A Y H X S+ 0 0 80 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.933 113.0 43.0 -64.2 -47.1 -12.2 -21.9 25.6 45 45 A E H X S+ 0 0 98 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.890 115.3 48.2 -71.5 -37.3 -12.0 -25.6 26.8 46 46 A Y H X S+ 0 0 17 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.930 112.5 48.9 -69.7 -44.0 -9.9 -26.7 23.8 47 47 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.903 110.5 51.9 -55.7 -44.2 -7.4 -23.8 24.3 48 48 A K H X S+ 0 0 88 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.895 110.2 48.7 -63.3 -38.5 -7.2 -24.6 28.0 49 49 A K H X S+ 0 0 85 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.894 110.3 50.2 -69.5 -40.9 -6.4 -28.3 27.2 50 50 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.938 114.9 44.1 -60.0 -48.7 -3.7 -27.4 24.6 51 51 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.937 113.6 49.7 -63.7 -46.6 -2.1 -25.0 27.1 52 52 A D H X S+ 0 0 84 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.882 112.8 48.5 -60.5 -36.6 -2.4 -27.5 30.0 53 53 A T H X S+ 0 0 3 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.934 112.4 45.9 -71.1 -48.2 -0.8 -30.2 27.9 54 54 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 7,-0.2 0.890 115.8 47.1 -61.0 -42.9 2.1 -28.2 26.6 55 55 A V H >< S+ 0 0 40 -4,-2.5 3,-1.2 -5,-0.2 4,-0.2 0.942 112.1 48.1 -67.7 -46.4 2.9 -26.9 30.1 56 56 A R H 3< S+ 0 0 157 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.747 123.2 34.0 -68.1 -24.4 2.7 -30.2 31.9 57 57 A H T 3X S+ 0 0 42 -4,-1.5 4,-2.7 -5,-0.1 3,-0.4 0.142 80.9 123.8-112.6 21.7 4.9 -31.9 29.2 58 58 A I H <> S+ 0 0 27 -3,-1.2 4,-2.4 1,-0.2 5,-0.2 0.832 71.4 50.3 -59.6 -39.0 7.2 -29.0 28.5 59 59 A E H > S+ 0 0 42 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 114.7 43.2 -66.4 -43.1 10.5 -30.7 29.3 60 60 A E H > S+ 0 0 31 -3,-0.4 4,-2.5 325,-0.3 -2,-0.2 0.884 112.8 53.8 -69.4 -37.0 9.8 -33.7 27.1 61 61 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.947 108.9 48.3 -61.8 -45.4 8.4 -31.5 24.3 62 62 A D H X S+ 0 0 17 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.880 111.8 50.2 -63.5 -38.3 11.6 -29.4 24.3 63 63 A S H X S+ 0 0 23 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.907 109.1 50.8 -65.3 -43.4 13.7 -32.6 24.2 64 64 A I H < S+ 0 0 34 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.929 112.9 46.6 -60.8 -43.5 11.6 -34.1 21.3 65 65 A I H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.946 110.9 51.6 -62.5 -47.6 12.1 -30.8 19.4 66 66 A E H ><>S+ 0 0 50 -4,-2.6 3,-2.1 1,-0.3 5,-0.6 0.845 96.9 67.2 -62.2 -34.9 15.9 -30.7 20.1 67 67 A K T 3<5S+ 0 0 172 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.754 108.4 40.5 -54.5 -23.8 16.4 -34.3 18.9 68 68 A H T < 5S+ 0 0 52 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.160 92.0 85.3-113.3 17.4 15.5 -32.9 15.4 69 69 A L T X 5S- 0 0 8 -3,-2.1 3,-1.5 3,-0.2 -1,-0.1 0.297 96.4-121.7-101.5 7.7 17.4 -29.6 15.6 70 70 A K T 3 5S- 0 0 197 1,-0.3 -3,-0.1 -3,-0.2 3,-0.1 0.864 77.4 -38.5 59.9 38.0 20.6 -31.2 14.4 71 71 A G T 3 - 0 0 49 1,-0.1 3,-1.9 -3,-0.1 4,-0.3 -0.600 25.1-117.0 -83.5 153.0 19.9 -25.8 21.6 74 74 A I G > S+ 0 0 16 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.751 110.3 73.4 -69.3 -19.3 16.2 -24.9 21.6 75 75 A D G 3 S+ 0 0 114 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.659 83.7 71.8 -66.1 -11.9 17.0 -21.4 22.8 76 76 A R G < S+ 0 0 142 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.802 81.0 90.0 -68.9 -32.5 18.3 -20.7 19.2 77 77 A L S < S- 0 0 9 -3,-1.2 -4,-0.0 -4,-0.3 -3,-0.0 -0.258 88.7-102.1 -65.0 153.0 14.8 -20.6 17.8 78 78 A G > - 0 0 3 1,-0.1 4,-2.6 41,-0.0 5,-0.2 -0.312 34.2-110.9 -60.8 158.2 12.8 -17.4 17.5 79 79 A Y H > S+ 0 0 30 211,-0.2 4,-1.6 2,-0.2 5,-0.2 0.866 119.9 50.3 -59.4 -37.8 10.1 -17.0 20.2 80 80 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.966 113.8 43.5 -65.9 -48.4 7.5 -17.5 17.6 81 81 A E H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 112.6 51.2 -65.2 -42.6 9.0 -20.7 16.1 82 82 A R H X S+ 0 0 11 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.927 115.1 41.5 -66.6 -41.2 9.8 -22.3 19.5 83 83 A N H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.841 112.4 53.0 -80.0 -27.2 6.3 -21.9 20.9 84 84 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.892 112.0 47.9 -68.4 -38.6 4.5 -22.8 17.6 85 85 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.879 109.1 52.7 -67.0 -39.0 6.6 -26.0 17.7 86 86 A R H X S+ 0 0 20 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.925 112.1 45.9 -63.2 -41.2 5.8 -26.7 21.3 87 87 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.916 111.4 51.6 -67.5 -43.8 2.1 -26.3 20.5 88 88 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.914 112.1 46.5 -59.8 -42.8 2.4 -28.5 17.4 89 89 A V H X>S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-1.3 0.923 109.1 54.6 -68.1 -42.7 4.1 -31.3 19.4 90 90 A A H <>S+ 0 0 0 -4,-2.3 5,-1.4 -5,-0.2 6,-0.2 0.914 116.9 36.9 -56.4 -44.1 1.6 -31.1 22.3 91 91 A E H <5S+ 0 0 0 -4,-2.2 6,-1.5 3,-0.2 -2,-0.2 0.928 120.5 43.1 -78.0 -44.7 -1.3 -31.6 19.9 92 92 A L H <5S+ 0 0 2 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.884 132.7 16.5 -69.2 -37.5 0.1 -34.1 17.4 93 93 A I T <5S+ 0 0 24 -4,-2.4 -3,-0.2 -5,-0.3 3,-0.1 0.889 128.9 39.3-106.0 -53.8 1.8 -36.3 20.0 94 94 A F T > + 0 0 25 1,-0.1 4,-1.4 2,-0.0 3,-1.0 -0.473 65.9 158.7-126.4 62.1 -6.5 -34.6 12.1 100 100 A P H 3> + 0 0 35 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.846 68.7 59.2 -61.4 -36.2 -2.8 -34.0 11.9 101 101 A G H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.852 105.5 50.1 -61.7 -34.0 -2.9 -32.1 8.6 102 102 A R H <> S+ 0 0 148 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.851 107.4 54.0 -73.7 -33.1 -5.1 -29.5 10.1 103 103 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.951 110.1 47.4 -60.8 -48.8 -2.8 -29.1 13.0 104 104 A F H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.912 110.6 52.1 -57.5 -47.3 0.1 -28.4 10.6 105 105 A I H X S+ 0 0 102 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.944 113.6 42.1 -59.6 -48.7 -1.9 -26.0 8.6 106 106 A D H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.868 113.9 52.0 -68.0 -35.2 -2.9 -23.9 11.6 107 107 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.948 113.4 43.4 -66.3 -47.9 0.6 -24.0 13.2 108 108 A V H X S+ 0 0 19 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.862 110.1 56.9 -67.7 -35.6 2.3 -22.8 10.1 109 109 A D H X S+ 0 0 65 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.911 107.9 48.8 -57.2 -44.0 -0.4 -20.1 9.5 110 110 A L H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.898 111.4 48.4 -63.7 -42.9 0.4 -18.7 12.9 111 111 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.922 113.0 47.8 -65.0 -40.6 4.1 -18.7 12.2 112 112 A K H < S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.2 51.3 -68.3 -30.1 3.6 -17.0 8.9 113 113 A K H < S+ 0 0 92 -4,-1.9 206,-2.7 -5,-0.2 -2,-0.2 0.898 122.0 27.1 -76.2 -41.5 1.3 -14.5 10.5 114 114 A Y H < S+ 0 0 11 -4,-2.2 -2,-0.2 204,-0.2 -1,-0.2 0.567 137.7 15.5-101.8 -12.1 3.5 -13.3 13.4 115 115 A A S < S- 0 0 0 -4,-2.1 2,-0.2 -5,-0.3 204,-0.2 -0.102 97.4 -83.8-124.8-129.1 6.9 -14.1 11.8 116 116 A D > - 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0 0 126 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.923 31.2-169.7 54.5 47.8 2.4 -33.4 57.8 177 38 B I < + 0 0 36 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.0 -0.524 25.3 155.5 -66.9 130.1 1.9 -29.8 58.7 178 39 B K + 0 0 183 -2,-0.3 2,-0.3 5,-0.0 -1,-0.2 0.536 38.4 105.5-127.1 -25.3 -1.3 -29.3 60.7 179 40 B N > - 0 0 78 1,-0.1 4,-2.1 2,-0.1 5,-0.1 -0.457 60.5-151.3 -62.6 120.7 -0.6 -26.1 62.6 180 41 B K H > S+ 0 0 155 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.805 90.1 50.8 -72.3 -34.9 -2.6 -23.4 60.9 181 42 B D H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 113.1 47.0 -67.2 -41.0 -0.4 -20.4 61.7 182 43 B A H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.867 110.9 52.6 -68.7 -39.8 2.7 -22.2 60.3 183 44 B Y H X S+ 0 0 91 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.947 113.6 42.6 -57.8 -50.9 0.8 -23.3 57.2 184 45 B E H X S+ 0 0 112 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.872 113.1 50.4 -70.0 -38.4 -0.3 -19.8 56.4 185 46 B Y H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.925 110.3 50.9 -67.3 -40.6 3.0 -18.1 57.1 186 47 B A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.915 109.9 50.8 -59.2 -42.6 4.8 -20.6 55.0 187 48 B K H X S+ 0 0 92 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.913 109.8 49.4 -63.1 -41.6 2.4 -19.9 52.2 188 49 B K H X S+ 0 0 102 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.892 110.8 50.9 -65.3 -38.4 2.9 -16.1 52.5 189 50 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.961 113.9 43.2 -63.1 -50.4 6.7 -16.7 52.4 190 51 B V H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.932 113.5 51.0 -62.3 -44.9 6.5 -18.8 49.2 191 52 B D H X S+ 0 0 60 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.889 111.2 49.0 -61.1 -39.3 4.0 -16.5 47.5 192 53 B T H X S+ 0 0 16 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.903 112.5 45.8 -66.6 -45.3 6.1 -13.4 48.2 193 54 B A H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 7,-0.2 0.909 114.8 48.2 -66.6 -41.7 9.4 -15.0 46.9 194 55 B V H >< S+ 0 0 35 -4,-2.5 3,-1.2 -5,-0.2 4,-0.2 0.947 112.7 47.7 -64.3 -46.8 7.7 -16.4 43.8 195 56 B R H 3< S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 3,-0.2 0.819 123.1 33.2 -64.0 -32.0 5.9 -13.1 42.9 196 57 B H T 3X S+ 0 0 49 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.3 0.146 81.8 122.4-109.3 21.6 9.1 -11.0 43.4 197 58 B I H <> S+ 0 0 18 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.835 73.0 49.3 -60.1 -38.4 11.6 -13.6 42.2 198 59 B E H > S+ 0 0 46 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 115.0 44.2 -66.9 -44.3 13.1 -11.5 39.4 199 60 B E H > S+ 0 0 34 106,-0.3 4,-2.4 -3,-0.2 -2,-0.2 0.901 112.8 53.0 -64.2 -39.9 13.6 -8.5 41.6 200 61 B I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.942 108.8 48.5 -62.6 -45.2 15.0 -10.8 44.4 201 62 B D H X S+ 0 0 27 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.906 110.0 52.7 -63.2 -40.6 17.5 -12.4 42.1 202 63 B S H X S+ 0 0 10 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.919 109.1 49.0 -60.1 -45.4 18.6 -8.9 40.9 203 64 B I H X S+ 0 0 15 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.938 112.6 48.3 -59.4 -46.1 19.2 -7.7 44.5 204 65 B I H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.940 109.2 52.2 -60.7 -48.9 21.2 -10.9 45.3 205 66 B E H >< S+ 0 0 105 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.820 99.9 64.7 -56.0 -35.8 23.4 -10.5 42.1 206 67 B K H 3< S+ 0 0 130 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.745 109.8 38.4 -57.9 -25.2 24.2 -6.9 43.1 207 68 B H T << S+ 0 0 54 -3,-1.7 2,-0.5 -4,-0.6 -1,-0.2 0.129 84.1 116.3-121.3 19.8 26.0 -8.2 46.2 208 69 B L < - 0 0 24 -3,-1.2 2,-0.6 -4,-0.1 5,-0.1 -0.800 47.8-155.7 -91.3 129.4 27.8 -11.4 45.1 209 70 B K S S- 0 0 186 -2,-0.5 3,-0.1 1,-0.1 -2,-0.0 -0.923 76.6 -14.3-103.6 114.6 31.6 -11.3 45.2 210 71 B G S S+ 0 0 81 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.520 120.8 83.4 78.8 5.6 33.3 -13.7 42.8 211 72 B W - 0 0 113 -6,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.994 65.3-141.1-140.3 144.1 30.1 -15.7 42.1 212 73 B S >> - 0 0 47 -2,-0.3 3,-1.2 1,-0.1 4,-0.6 -0.714 33.6-112.3 -98.6 160.6 27.1 -15.3 39.7 213 74 B I G >4 S+ 0 0 14 1,-0.3 3,-0.9 -2,-0.3 -1,-0.1 0.870 116.1 53.7 -66.7 -34.6 23.7 -16.3 41.0 214 75 B D G 34 S+ 0 0 114 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.711 105.0 56.6 -68.8 -20.3 23.4 -19.3 38.8 215 76 B R G <4 S+ 0 0 151 -3,-1.2 -1,-0.2 2,-0.0 -2,-0.2 0.573 85.6 100.6 -92.8 -6.2 26.7 -20.6 40.0 216 77 B L S << S- 0 0 7 -3,-0.9 -3,-0.0 -4,-0.6 2,-0.0 -0.315 86.3 -94.6 -66.2 157.1 25.6 -20.6 43.7 217 78 B G > - 0 0 3 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.325 32.4-114.4 -63.4 158.4 24.6 -23.9 45.2 218 79 B Y H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.873 117.3 50.7 -61.9 -38.4 20.8 -24.7 45.2 219 80 B V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.966 114.6 42.7 -64.6 -47.6 20.7 -24.5 49.0 220 81 B E H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.891 113.3 50.3 -68.0 -43.4 22.5 -21.2 49.1 221 82 B R H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.920 115.6 42.5 -63.7 -41.5 20.6 -19.5 46.3 222 83 B N H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.834 111.2 53.4 -81.4 -28.1 17.2 -20.5 47.7 223 84 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.888 111.6 48.4 -65.1 -41.2 18.0 -19.6 51.3 224 85 B L H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.926 109.0 52.3 -64.4 -44.2 19.1 -16.2 50.0 225 86 B R H X S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 112.8 45.4 -57.4 -43.6 15.9 -15.8 48.0 226 87 B L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.901 112.4 50.1 -67.5 -41.9 13.8 -16.6 51.1 227 88 B G H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.914 112.9 46.7 -63.1 -42.0 15.8 -14.3 53.4 228 89 B V H X>S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-1.2 0.947 109.4 54.6 -66.3 -45.4 15.4 -11.4 50.9 229 90 B A H <>S+ 0 0 0 -4,-2.5 5,-1.0 -5,-0.2 6,-0.2 0.879 116.8 36.8 -52.5 -43.2 11.7 -12.1 50.5 230 91 B E H <5S+ 0 0 0 -4,-2.0 6,-1.6 3,-0.2 4,-0.2 0.917 120.5 42.5 -80.8 -45.6 11.1 -11.8 54.2 231 92 B L H <5S+ 0 0 2 -4,-2.6 -3,-0.2 4,-0.2 -2,-0.2 0.906 131.9 19.2 -68.1 -43.2 13.6 -9.1 55.2 232 93 B I T <5S+ 0 0 24 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.927 129.5 37.6 -96.0 -55.5 12.8 -6.8 52.3 233 94 B F T > + 0 0 33 1,-0.1 4,-1.2 2,-0.0 3,-0.9 -0.389 64.7 156.0-131.4 55.9 12.4 -9.2 63.6 239 100 B P H 3> + 0 0 36 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.812 67.7 60.0 -58.0 -36.7 15.4 -9.3 61.2 240 101 B G H 3> S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 104.8 49.7 -59.4 -39.1 17.8 -11.0 63.6 241 102 B R H <> S+ 0 0 145 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.818 107.3 54.7 -71.1 -30.3 15.5 -14.0 63.9 242 103 B V H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.969 108.4 48.0 -65.6 -51.9 15.2 -14.3 60.1 243 104 B F H X S+ 0 0 30 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.899 111.5 51.7 -52.2 -47.2 19.0 -14.4 59.7 244 105 B I H X S+ 0 0 103 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.939 113.5 42.2 -57.2 -49.1 19.2 -17.0 62.5 245 106 B D H X S+ 0 0 13 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.867 115.0 50.3 -70.5 -34.8 16.7 -19.3 60.9 246 107 B I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.932 113.9 43.8 -68.2 -45.3 18.0 -18.8 57.3 247 108 B V H X S+ 0 0 19 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.873 110.1 56.9 -70.8 -34.2 21.6 -19.6 58.3 248 109 B D H X S+ 0 0 68 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.901 106.9 50.4 -57.5 -43.7 20.4 -22.6 60.4 249 110 B L H X S+ 0 0 12 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.911 110.2 48.5 -62.4 -44.1 18.8 -24.0 57.3 250 111 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.937 113.2 46.8 -64.2 -44.2 22.0 -23.6 55.2 251 112 B K H < S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 112.7 52.8 -66.9 -27.8 24.1 -25.2 57.9 252 113 B K H < S+ 0 0 94 -4,-1.8 147,-2.7 -5,-0.2 -2,-0.2 0.897 122.0 25.1 -73.8 -41.2 21.5 -28.0 58.2 253 114 B Y H < S+ 0 0 11 -4,-2.1 -2,-0.2 145,-0.2 -3,-0.2 0.560 138.3 15.1-105.4 -12.1 21.3 -29.0 54.5 254 115 B A S < S- 0 0 0 -4,-2.3 2,-0.2 -5,-0.3 145,-0.2 -0.159 96.9 -81.8-126.7-133.3 24.8 -27.8 53.4 255 116 B D > - 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