==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 31-AUG-10 3OPC . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR K.MICHALSKA,G.CHHOR,J.BEARDEN,R.J.FENSKE,A.JOACHIMIAK,MIDWES . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 89.2 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 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 1 A X 0 0 167 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.3 61.7 44.7 26.8 2 2 A N > - 0 0 103 197,-0.0 4,-1.5 196,-0.0 5,-0.1 -0.654 360.0 -59.3-151.5-155.5 63.2 45.2 23.3 3 3 A S H > S+ 0 0 31 2,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.828 130.7 50.1 -75.6 -33.3 63.3 44.1 19.7 4 4 A A H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 110.2 52.2 -68.5 -36.2 64.3 40.5 20.6 5 5 A A H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.876 109.3 48.8 -63.9 -40.0 61.5 40.5 23.1 6 6 A L H X S+ 0 0 9 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.900 110.1 51.5 -70.6 -38.1 59.1 41.6 20.4 7 7 A K H X S+ 0 0 89 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.901 108.5 51.4 -60.8 -43.5 60.4 38.9 18.1 8 8 A S H X S+ 0 0 41 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.933 110.9 49.2 -57.3 -45.8 59.8 36.3 20.8 9 9 A C H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.946 111.5 47.1 -62.4 -49.3 56.3 37.5 21.2 10 10 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.925 110.6 53.8 -56.5 -47.6 55.5 37.4 17.5 11 11 A E H X S+ 0 0 100 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.901 112.5 43.6 -52.1 -46.3 57.0 33.9 17.2 12 12 A R H X S+ 0 0 101 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.874 112.5 51.1 -72.8 -39.7 54.8 32.6 20.0 13 13 A E H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.927 112.5 47.4 -58.6 -46.8 51.8 34.3 18.7 14 14 A N H X S+ 0 0 29 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.927 108.0 56.1 -62.5 -43.2 52.5 32.8 15.3 15 15 A A H X S+ 0 0 44 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.925 109.5 46.3 -53.2 -45.5 53.0 29.4 16.9 16 16 A L H X S+ 0 0 25 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.918 111.0 51.2 -66.6 -41.8 49.5 29.6 18.5 17 17 A V H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.935 111.0 49.0 -59.8 -43.2 47.9 30.7 15.3 18 18 A V H X S+ 0 0 44 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.902 111.8 48.3 -63.8 -39.0 49.5 27.8 13.5 19 19 A E H X S+ 0 0 95 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.897 111.1 51.6 -66.2 -38.7 48.3 25.4 16.2 20 20 A F H X S+ 0 0 24 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.922 105.5 55.0 -63.7 -45.6 44.9 27.0 15.8 21 21 A L H X S+ 0 0 10 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.919 109.2 47.5 -52.4 -41.4 45.0 26.4 12.1 22 22 A H H X S+ 0 0 92 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.883 110.5 51.3 -71.2 -36.4 45.6 22.7 12.8 23 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.904 109.5 51.2 -59.6 -42.8 42.8 22.7 15.3 24 24 A L H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.893 107.5 52.8 -58.8 -43.0 40.6 24.2 12.6 25 25 A E H X S+ 0 0 107 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.879 109.9 48.9 -59.1 -42.4 41.7 21.5 10.1 26 26 A A H X S+ 0 0 29 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.937 110.3 50.0 -64.1 -48.6 40.6 18.9 12.8 27 27 A E H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.943 111.6 48.9 -51.9 -51.7 37.2 20.6 13.2 28 28 A T H X S+ 0 0 26 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.927 109.6 52.7 -57.5 -43.4 36.7 20.6 9.4 29 29 A E H X S+ 0 0 108 -4,-2.5 4,-0.6 1,-0.2 3,-0.2 0.933 110.9 46.4 -58.4 -48.5 37.6 16.9 9.3 30 30 A A H >< S+ 0 0 7 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.889 112.2 50.9 -60.9 -40.1 35.1 16.1 12.0 31 31 A L H 3< S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 115.2 42.7 -67.6 -28.5 32.4 18.2 10.2 32 32 A X H 3< S+ 0 0 115 -4,-1.9 2,-0.7 -3,-0.2 -1,-0.2 0.399 83.6 118.3 -98.0 -1.3 33.0 16.5 6.9 33 33 A D << + 0 0 20 -3,-0.7 3,-0.2 -4,-0.6 4,-0.2 -0.564 29.9 167.0 -73.4 108.3 33.3 12.9 8.4 34 34 A R > + 0 0 89 -2,-0.7 4,-2.9 1,-0.1 5,-0.2 0.205 38.7 111.6-109.8 16.3 30.4 11.0 6.8 35 35 A R H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 81.9 46.2 -55.8 -46.6 31.5 7.4 7.9 36 36 A A H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 113.5 50.4 -64.8 -37.7 28.6 7.0 10.3 37 37 A H H > S+ 0 0 68 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.905 111.7 46.1 -67.4 -44.0 26.2 8.3 7.6 38 38 A E H X S+ 0 0 131 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.925 111.5 52.1 -66.9 -43.3 27.5 6.0 4.9 39 39 A S H X S+ 0 0 59 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.935 111.8 47.3 -54.3 -46.1 27.4 3.0 7.3 40 40 A L H X S+ 0 0 28 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.948 112.1 49.1 -63.5 -49.6 23.8 3.9 8.1 41 41 A Q H X S+ 0 0 65 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.913 111.3 50.0 -55.1 -44.2 22.8 4.3 4.4 42 42 A A H X S+ 0 0 55 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.920 113.1 45.5 -64.5 -42.6 24.4 1.0 3.5 43 43 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.921 112.2 51.2 -67.5 -43.2 22.6 -0.9 6.3 44 44 A V H X S+ 0 0 39 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.906 109.7 51.1 -56.9 -44.2 19.3 0.8 5.5 45 45 A Q H X S+ 0 0 116 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.908 109.6 49.0 -63.6 -41.7 19.7 -0.2 1.8 46 46 A R H X S+ 0 0 112 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.937 110.4 53.0 -56.7 -47.8 20.4 -3.8 2.8 47 47 A K H X S+ 0 0 25 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.901 107.9 49.1 -57.3 -48.2 17.3 -3.7 4.9 48 48 A E H X S+ 0 0 118 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.868 112.7 48.0 -55.1 -45.4 15.1 -2.4 2.1 49 49 A T H X S+ 0 0 81 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.959 114.8 45.0 -64.6 -51.9 16.4 -5.2 -0.3 50 50 A L H X S+ 0 0 12 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.842 110.6 54.7 -57.8 -36.6 15.9 -7.9 2.3 51 51 A A H X S+ 0 0 45 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.910 111.1 45.7 -66.3 -42.0 12.4 -6.5 3.2 52 52 A D H X S+ 0 0 115 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.949 112.3 50.5 -63.5 -50.9 11.4 -6.7 -0.5 53 53 A D H X S+ 0 0 76 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.900 110.6 50.4 -55.7 -41.1 12.9 -10.2 -0.8 54 54 A L H X S+ 0 0 37 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.873 106.4 53.5 -65.7 -37.6 10.9 -11.3 2.3 55 55 A A H X S+ 0 0 70 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.888 109.5 50.5 -63.4 -34.5 7.6 -9.9 1.0 56 56 A Q H X S+ 0 0 125 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.923 112.4 45.1 -69.0 -43.1 8.2 -12.0 -2.1 57 57 A L H X S+ 0 0 18 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.836 108.6 57.4 -69.0 -35.0 8.9 -15.1 -0.0 58 58 A G H X S+ 0 0 17 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.943 107.9 47.6 -56.7 -46.9 5.8 -14.3 2.1 59 59 A A H X S+ 0 0 52 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.890 110.0 53.4 -62.7 -37.3 3.8 -14.4 -1.2 60 60 A E H X S+ 0 0 55 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.966 109.3 47.5 -61.3 -52.3 5.4 -17.7 -2.1 61 61 A R H X S+ 0 0 25 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.928 113.1 48.8 -53.7 -48.3 4.4 -19.2 1.3 62 62 A D H X S+ 0 0 55 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.845 108.4 53.7 -60.9 -34.5 0.9 -17.9 0.9 63 63 A A H X S+ 0 0 67 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.938 111.8 44.7 -67.4 -44.3 0.7 -19.3 -2.7 64 64 A L H X S+ 0 0 38 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.904 114.7 49.5 -61.1 -43.6 1.7 -22.8 -1.4 65 65 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.2 3,-0.7 0.956 113.9 44.0 -60.8 -51.4 -0.7 -22.5 1.5 66 66 A S H ><5S+ 0 0 83 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.915 108.8 58.5 -60.6 -44.9 -3.6 -21.4 -0.8 67 67 A G H 3<5S+ 0 0 37 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.806 105.7 50.1 -49.5 -34.6 -2.6 -24.1 -3.2 68 68 A A T <<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.7 64,-0.2 0.205 121.7-106.8 -91.1 13.1 -3.1 -26.7 -0.4 69 69 A G T < 5S+ 0 0 70 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.688 79.5 129.0 71.2 21.2 -6.6 -25.3 0.5 70 70 A L < - 0 0 58 -5,-2.4 -1,-0.2 -6,-0.2 6,-0.1 -0.589 65.5 -91.8-107.6 164.0 -5.3 -23.7 3.7 71 71 A A - 0 0 58 -2,-0.2 -1,-0.2 4,-0.1 2,-0.1 -0.211 44.9-115.8 -65.3 160.2 -5.5 -20.2 5.1 72 72 A S S > S+ 0 0 74 4,-0.1 4,-1.5 -7,-0.1 3,-0.4 -0.388 71.8 17.5 -90.3 175.6 -2.7 -17.7 4.3 73 73 A G H > S- 0 0 15 -15,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.060 120.4 -24.1 64.8-160.2 -0.3 -16.1 6.7 74 74 A P H > S+ 0 0 82 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.856 135.1 54.7 -55.7 -41.8 0.5 -17.3 10.2 75 75 A A H > S+ 0 0 66 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.941 111.6 43.7 -63.8 -46.8 -2.8 -19.2 10.7 76 76 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.875 114.3 50.0 -61.6 -40.3 -2.4 -21.2 7.6 77 77 A T H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.864 106.9 54.9 -70.7 -36.9 1.2 -21.9 8.4 78 78 A D H X S+ 0 0 81 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.921 110.0 47.8 -56.1 -43.4 0.3 -23.0 11.9 79 79 A A H X S+ 0 0 43 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.852 110.2 51.3 -70.0 -34.8 -2.1 -25.5 10.3 80 80 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.909 109.2 51.1 -66.0 -38.2 0.6 -26.7 7.9 81 81 A A H < S+ 0 0 14 -4,-2.5 7,-0.3 2,-0.2 6,-0.2 0.855 108.9 50.9 -70.9 -32.4 2.9 -27.2 10.9 82 82 A A H < S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.1 42.4 -65.6 -46.5 0.3 -29.3 12.7 83 83 A A H < S+ 0 0 71 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.812 129.8 29.2 -68.9 -29.7 -0.2 -31.5 9.6 84 84 A H >< + 0 0 41 -4,-2.4 3,-2.5 -5,-0.2 4,-0.3 -0.660 69.5 177.1-131.8 80.0 3.5 -31.7 9.0 85 85 A P G > S+ 0 0 87 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.674 71.9 77.8 -70.1 -13.8 5.2 -31.4 12.3 86 86 A E G 3 S+ 0 0 121 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.707 95.9 52.2 -56.9 -20.8 8.7 -31.8 10.8 87 87 A L G <> S+ 0 0 5 -3,-2.5 4,-2.4 -6,-0.2 -1,-0.3 0.549 84.2 92.1 -91.8 -11.5 8.2 -28.2 9.8 88 88 A G H <> S+ 0 0 14 -3,-1.4 4,-2.6 -7,-0.3 5,-0.2 0.896 83.4 48.7 -50.5 -51.6 7.4 -27.0 13.3 89 89 A P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 112.5 48.0 -61.9 -37.7 10.9 -26.1 14.4 90 90 A L H > S+ 0 0 31 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.943 113.1 48.0 -67.7 -46.2 11.6 -24.0 11.3 91 91 A W H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.883 111.9 50.6 -59.8 -40.9 8.3 -22.2 11.6 92 92 A Q H X S+ 0 0 105 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.884 111.1 47.7 -66.0 -39.0 9.0 -21.5 15.2 93 93 A A H X S+ 0 0 37 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.917 111.0 50.7 -69.0 -44.9 12.5 -20.1 14.5 94 94 A L H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.946 112.6 47.3 -54.7 -48.1 11.2 -17.9 11.7 95 95 A Q H X S+ 0 0 64 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.926 114.6 45.7 -59.1 -45.4 8.5 -16.6 14.0 96 96 A A H X S+ 0 0 62 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 114.5 47.5 -68.1 -44.1 10.9 -16.0 16.8 97 97 A N H X S+ 0 0 36 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.888 111.3 51.6 -63.4 -39.3 13.5 -14.3 14.5 98 98 A A H X S+ 0 0 25 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.894 108.5 51.0 -64.9 -39.5 10.8 -12.1 13.0 99 99 A A H X S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.945 111.8 46.9 -67.6 -42.6 9.6 -10.9 16.4 100 100 A Q H X S+ 0 0 89 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.931 112.3 51.2 -60.4 -47.0 13.2 -10.0 17.4 101 101 A A H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.916 110.2 48.5 -55.8 -46.6 13.7 -8.3 14.0 102 102 A R H X S+ 0 0 162 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.903 113.7 46.4 -62.3 -42.3 10.5 -6.2 14.5 103 103 A E H X S+ 0 0 119 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.934 115.7 45.4 -62.4 -46.2 11.5 -5.2 18.0 104 104 A H H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.885 112.4 52.4 -66.9 -40.8 15.0 -4.3 17.0 105 105 A N H X S+ 0 0 58 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.899 109.6 47.3 -63.8 -43.3 13.7 -2.4 14.0 106 106 A Q H X S+ 0 0 150 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.894 110.7 53.7 -66.7 -38.9 11.3 -0.3 16.0 107 107 A R H X S+ 0 0 127 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.911 108.3 48.6 -59.7 -44.7 14.1 0.4 18.4 108 108 A N H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.849 105.7 58.9 -63.4 -35.5 16.4 1.6 15.6 109 109 A G H X S+ 0 0 36 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.857 112.1 39.7 -62.6 -37.9 13.6 3.8 14.3 110 110 A T H >X S+ 0 0 88 -4,-1.6 4,-1.8 -3,-0.2 3,-0.8 0.901 111.8 57.8 -70.9 -43.8 13.4 5.6 17.6 111 111 A L H 3X S+ 0 0 30 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.841 97.5 60.9 -61.9 -35.1 17.2 5.6 17.9 112 112 A I H 3X S+ 0 0 38 -4,-2.6 4,-2.6 2,-0.2 -1,-0.3 0.905 105.9 48.1 -50.9 -45.1 17.6 7.5 14.6 113 113 A A H < S+ 0 0 6 -4,-2.7 3,-0.7 1,-0.2 4,-0.4 0.877 111.9 53.5 -67.0 -39.9 26.0 21.5 17.0 124 124 A D H >< S+ 0 0 94 -4,-2.5 3,-0.9 -5,-0.3 -1,-0.2 0.797 101.7 60.2 -68.9 -26.6 23.5 24.1 18.4 125 125 A A H >< S+ 0 0 81 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.758 99.1 57.5 -69.3 -25.0 25.7 24.5 21.5 126 126 A L T << S+ 0 0 44 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.622 81.6 98.1 -74.9 -9.6 28.6 25.6 19.2 127 127 A R T < 0 0 132 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.545 360.0 360.0 -62.7 -17.4 26.3 28.5 17.8 128 128 A Q < 0 0 144 -3,-0.5 -3,-0.1 -4,-0.1 -1,-0.1 -0.187 360.0 360.0-176.6 360.0 27.6 31.4 20.0 129 !* 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 0.0 130 -1 B N 0 0 180 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.9 -5.0 -30.4 -3.0 131 0 B A - 0 0 92 1,-0.1 2,-0.1 -62,-0.0 -62,-0.1 -0.708 360.0-102.5 -95.0 143.6 -2.3 -31.8 -0.8 132 1 B X - 0 0 29 -2,-0.3 2,-1.2 -64,-0.2 3,-0.1 -0.432 23.4-135.6 -62.4 130.1 0.4 -29.7 1.0 133 2 B N > - 0 0 85 -69,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.803 25.0-174.9 -81.7 91.8 3.8 -29.8 -0.7 134 3 B S H > S+ 0 0 28 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.849 80.2 52.6 -62.0 -38.4 5.8 -30.2 2.5 135 4 B A H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 108.6 50.0 -62.7 -42.7 9.1 -30.0 0.7 136 5 B A H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.899 111.7 48.4 -66.7 -37.0 8.1 -26.8 -1.0 137 6 B L H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.934 109.2 51.7 -72.0 -41.6 7.0 -25.3 2.3 138 7 B K H X S+ 0 0 98 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.938 110.4 50.4 -55.0 -49.0 10.2 -26.3 4.1 139 8 B S H X S+ 0 0 42 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.900 112.4 46.0 -56.3 -45.3 12.3 -24.7 1.4 140 9 B C H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.954 112.7 48.9 -66.3 -49.0 10.3 -21.5 1.6 141 10 B L H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.867 110.8 52.1 -61.7 -36.7 10.5 -21.3 5.4 142 11 B E H X S+ 0 0 79 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.943 111.8 45.1 -62.3 -47.8 14.3 -22.0 5.3 143 12 B R H X S+ 0 0 95 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.878 113.6 50.6 -65.6 -36.4 14.9 -19.1 2.8 144 13 B E H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.945 111.0 47.9 -64.2 -47.2 12.6 -16.8 4.8 145 14 B N H X S+ 0 0 28 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.839 109.7 52.7 -65.2 -35.3 14.4 -17.5 8.0 146 15 B A H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.874 110.8 48.3 -66.4 -36.2 17.8 -17.0 6.4 147 16 B L H X S+ 0 0 24 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.902 109.2 51.9 -69.0 -40.5 16.6 -13.6 5.1 148 17 B V H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.947 110.1 50.4 -61.3 -42.4 15.3 -12.6 8.5 149 18 B V H X S+ 0 0 49 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.903 110.0 48.4 -60.3 -43.6 18.7 -13.6 10.0 150 19 B E H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.892 110.1 54.5 -63.2 -35.1 20.4 -11.4 7.4 151 20 B F H X S+ 0 0 22 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.873 104.8 51.8 -65.8 -37.3 17.9 -8.7 8.3 152 21 B L H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.908 109.4 51.2 -64.2 -38.7 19.0 -9.0 12.0 153 22 B H H X S+ 0 0 102 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.925 109.9 48.6 -63.7 -42.6 22.6 -8.6 10.9 154 23 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.862 109.4 53.7 -63.2 -37.8 21.7 -5.5 8.9 155 24 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.904 106.7 51.0 -62.9 -41.5 19.8 -4.2 12.0 156 25 B E H X S+ 0 0 90 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.915 110.3 49.9 -61.0 -42.9 23.0 -4.7 14.1 157 26 B A H X S+ 0 0 22 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.886 109.6 51.8 -61.0 -41.5 24.9 -2.7 11.5 158 27 B E H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 110.5 47.1 -60.3 -45.8 22.3 0.0 11.6 159 28 B T H X S+ 0 0 35 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.945 111.1 52.6 -61.1 -45.9 22.5 0.3 15.5 160 29 B E H X S+ 0 0 143 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.910 110.6 47.0 -57.2 -44.6 26.3 0.4 15.2 161 30 B A H >< S+ 0 0 5 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.895 111.5 50.7 -63.4 -41.3 26.1 3.2 12.7 162 31 B L H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.755 112.4 47.3 -69.8 -25.1 23.6 5.1 14.9 163 32 B X H 3< S+ 0 0 81 -4,-1.9 2,-0.9 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111.3 49.9 -67.0 -43.3 38.2 17.9 21.0 174 43 B A H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.918 112.0 49.0 -57.0 -45.6 38.9 20.3 18.1 175 44 B V H X S+ 0 0 26 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.891 111.0 48.1 -67.1 -39.7 36.6 22.9 19.6 176 45 B Q H X S+ 0 0 121 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.872 111.3 52.0 -66.2 -37.3 38.1 22.6 23.1 177 46 B R H X S+ 0 0 117 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.908 109.1 49.8 -62.8 -45.6 41.6 22.9 21.5 178 47 B K H X S+ 0 0 23 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.890 108.1 54.4 -60.3 -43.6 40.6 26.1 19.6 179 48 B E H X S+ 0 0 120 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.933 110.2 43.7 -58.2 -48.6 39.2 27.6 22.7 180 49 B T H X S+ 0 0 81 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.926 117.5 46.6 -65.3 -44.2 42.4 27.2 24.8 181 50 B L H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.920 111.7 50.0 -62.3 -47.8 44.5 28.4 21.9 182 51 B A H X S+ 0 0 39 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.911 113.0 48.6 -56.6 -46.6 42.2 31.4 21.1 183 52 B D H X S+ 0 0 87 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.886 113.3 45.5 -59.3 -47.2 42.4 32.3 24.9 184 53 B D H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.882 113.6 51.1 -64.3 -38.9 46.2 32.1 25.0 185 54 B L H X S+ 0 0 48 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.959 109.6 48.1 -64.2 -50.3 46.5 34.0 21.8 186 55 B A H < S+ 0 0 75 -4,-2.7 4,-0.4 1,-0.2 3,-0.4 0.876 114.6 47.3 -59.5 -36.9 44.3 36.9 23.0 187 56 B Q H >X S+ 0 0 147 -4,-1.8 3,-1.7 1,-0.2 4,-0.5 0.884 103.2 60.2 -74.1 -32.9 46.2 37.0 26.2 188 57 B L H >X S+ 0 0 21 -4,-2.3 4,-1.5 1,-0.3 3,-0.6 0.719 91.2 72.3 -68.5 -18.1 49.6 37.0 24.4 189 58 B G H 3X S+ 0 0 18 -4,-1.0 4,-2.6 -3,-0.4 -1,-0.3 0.827 87.5 62.8 -63.0 -29.8 48.4 40.2 22.8 190 59 B A H <> S+ 0 0 66 -3,-1.7 4,-2.5 -4,-0.4 -1,-0.2 0.850 100.0 52.4 -63.9 -33.3 48.9 41.9 26.1 191 60 B E H S+ 0 0 3 -4,-2.8 5,-3.2 1,-0.2 -2,-0.2 0.879 112.5 51.1 -62.7 -38.9 54.8 48.5 22.1 197 66 B S H ><5S+ 0 0 90 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.2 0.879 108.3 51.6 -66.9 -38.6 53.6 50.7 25.0 198 67 B G H 3<5S+ 0 0 59 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.9 49.6 -67.0 -38.0 57.0 50.7 26.7 199 68 B A T 3<5S- 0 0 76 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.329 121.0-110.4 -81.1 5.8 58.8 51.7 23.5 200 69 B G T < 5S+ 0 0 66 -3,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.782 73.5 133.7 71.2 29.4 56.2 54.6 23.1 201 70 B L < - 0 0 62 -5,-3.2 -1,-0.2 -6,-0.2 6,-0.1 -0.725 62.3 -93.0-106.6 159.9 54.4 53.1 20.0 202 71 B A - 0 0 62 -2,-0.2 -1,-0.1 1,-0.1 8,-0.1 -0.243 47.2-111.2 -62.8 156.5 50.7 52.7 19.3 203 72 B S S >> S+ 0 0 80 4,-0.1 4,-1.4 3,-0.1 3,-0.5 -0.190 74.0 16.5 -81.2 177.0 49.1 49.4 20.3 204 73 B G H 3> S- 0 0 18 1,-0.2 4,-1.8 -15,-0.2 3,-0.3 -0.012 122.1 -20.4 58.6-160.4 47.8 46.7 18.0 205 74 B P H 3> S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.781 132.9 58.0 -53.6 -36.9 48.6 46.4 14.3 206 75 B A H <> S+ 0 0 64 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.947 109.1 41.8 -61.9 -55.2 49.7 50.1 13.9 207 76 B G H X S+ 0 0 2 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.851 114.4 52.8 -59.1 -35.9 52.4 50.0 16.5 208 77 B T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.834 106.2 53.2 -72.8 -34.9 53.6 46.6 15.3 209 78 B D H X S+ 0 0 83 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 111.1 47.5 -58.9 -47.5 53.9 48.0 11.7 210 79 B A H X S+ 0 0 43 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.903 112.1 49.4 -60.3 -45.6 56.0 50.8 13.0 211 80 B A H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.891 110.6 49.1 -62.6 -40.5 58.1 48.4 15.0 212 81 B A H < S+ 0 0 14 -4,-2.3 6,-0.3 2,-0.2 7,-0.3 0.849 111.3 51.3 -68.6 -34.1 58.6 46.0 11.9 213 82 B A H < S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.1 41.2 -63.6 -46.0 59.6 49.1 9.8 214 83 B A H < S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.726 126.0 35.2 -76.9 -26.1 62.2 50.2 12.4 215 84 B H S >< S- 0 0 72 -4,-1.9 3,-2.6 -5,-0.2 -1,-0.3 -0.697 73.8-174.9-127.3 77.6 63.5 46.6 13.1 216 85 B P G > S+ 0 0 90 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.606 73.8 76.1 -55.9 -21.3 63.3 44.9 9.6 217 86 B E G 3 S+ 0 0 104 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.595 92.3 56.5 -65.7 -12.2 64.3 41.5 11.0 218 87 B L G <> S+ 0 0 0 -3,-2.6 4,-2.2 -6,-0.3 -1,-0.3 0.423 83.1 92.5 -91.8 0.7 60.7 41.3 12.3 219 88 B G H <> S+ 0 0 18 -3,-1.9 4,-3.1 -7,-0.3 5,-0.2 0.951 85.6 41.3 -64.1 -57.8 59.2 41.8 8.9 220 89 B P H > S+ 0 0 102 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.874 116.4 51.1 -58.0 -39.9 58.7 38.2 7.6 221 90 B L H > S+ 0 0 35 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.923 113.5 43.8 -64.4 -43.9 57.5 37.1 11.1 222 91 B W H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.915 114.0 49.9 -71.8 -42.0 54.9 39.9 11.3 223 92 B Q H X S+ 0 0 125 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.952 113.0 47.4 -59.8 -48.7 53.8 39.4 7.8 224 93 B A H X S+ 0 0 36 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.888 110.2 52.2 -57.3 -44.6 53.4 35.6 8.4 225 94 B L H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.940 112.4 45.0 -62.1 -45.9 51.5 36.1 11.7 226 95 B Q H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.893 116.4 46.0 -63.4 -42.7 49.0 38.5 10.0 227 96 B A H X S+ 0 0 58 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 114.1 47.7 -66.0 -47.5 48.6 36.2 7.0 228 97 B N H X S+ 0 0 32 -4,-3.3 4,-2.4 -5,-0.2 -2,-0.2 0.910 113.6 49.4 -57.9 -42.2 48.3 33.1 9.2 229 98 B A H X S+ 0 0 18 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.882 110.2 48.5 -67.3 -43.0 45.7 34.9 11.4 230 99 B A H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.880 111.3 52.0 -60.5 -41.3 43.6 36.1 8.5 231 100 B Q H X S+ 0 0 95 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 109.4 49.8 -61.9 -42.9 43.7 32.5 7.2 232 101 B A H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.884 108.8 52.1 -64.2 -40.3 42.5 31.3 10.6 233 102 B R H X S+ 0 0 164 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.926 111.6 45.9 -64.4 -44.2 39.7 33.8 10.7 234 103 B E H X S+ 0 0 129 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.908 114.5 47.8 -62.1 -43.9 38.4 32.7 7.2 235 104 B H H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.929 110.1 52.2 -66.5 -43.8 38.7 29.0 8.1 236 105 B N H X S+ 0 0 63 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.917 110.6 48.5 -57.7 -41.6 36.9 29.6 11.4 237 106 B Q H X S+ 0 0 146 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.941 109.4 52.5 -63.6 -47.0 34.1 31.3 9.5 238 107 B R H X S+ 0 0 130 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.907 109.7 49.4 -55.2 -42.8 34.0 28.4 6.9 239 108 B N H X S+ 0 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-4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.897 111.4 52.5 -56.7 -41.5 20.6 18.6 7.3 250 119 B T H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.951 111.8 45.1 -62.0 -49.3 19.9 17.3 10.9 251 120 B Q H X S+ 0 0 78 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.895 113.3 49.9 -60.1 -45.0 16.6 19.4 11.2 252 121 B E H X S+ 0 0 111 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.939 110.4 50.7 -57.9 -45.7 15.5 18.3 7.7 253 122 B S H X S+ 0 0 31 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.914 112.0 47.2 -60.2 -41.7 16.2 14.7 8.7 254 123 B L H X S+ 0 0 23 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.894 108.8 54.1 -63.0 -44.0 14.1 15.2 11.9 255 124 B D H X S+ 0 0 50 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.834 105.3 56.1 -56.4 -35.3 11.4 16.8 9.8 256 125 B A H X S+ 0 0 59 -4,-2.0 4,-2.3 2,-0.2 3,-0.3 0.913 108.4 44.8 -67.1 -43.3 11.4 13.7 7.6 257 126 B L H < S+ 0 0 65 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 106.2 59.9 -65.1 -41.5 10.8 11.3 10.6 258 127 B R H < S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 111.7 43.6 -57.6 -29.2 8.1 13.5 12.0 259 128 B Q H < 0 0 144 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.971 360.0 360.0 -77.4 -63.9 6.3 12.9 8.6 260 129 B A < 0 0 128 -4,-2.3 -3,-0.2 0, 0.0 -2,-0.1 0.985 360.0 360.0 -58.8 360.0 6.8 9.1 8.1