==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAY-10 3MYM . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR V.S.DE SERRANO,E.L.D'ANTONIO,S.FRANZEN,E.F.BOWDEN . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 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 . 4 1.5 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 0.7 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 . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 1 1 0 0 2 3 0 0 0 0 2 0 3 0 0 2 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 . 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 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 G > 0 0 60 0, 0.0 4,-2.4 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0-165.0 -0.9 -30.4 -4.4 2 2 A F H > + 0 0 31 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.906 360.0 50.8 -58.1 -46.5 0.4 -28.6 -1.3 3 3 A K H > S+ 0 0 148 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.909 111.9 46.5 -61.4 -47.5 -3.0 -27.0 -0.5 4 4 A Q H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 106.8 58.8 -59.8 -40.2 -4.8 -30.3 -0.7 5 5 A D H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.872 102.0 54.5 -60.5 -39.8 -2.2 -32.0 1.4 6 6 A I H X S+ 0 0 4 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.918 110.8 46.1 -54.9 -44.5 -2.9 -29.5 4.2 7 7 A A H X S+ 0 0 49 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.899 111.3 51.8 -66.3 -41.9 -6.6 -30.5 4.0 8 8 A T H X S+ 0 0 21 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.953 114.5 42.6 -57.0 -50.0 -5.7 -34.2 3.9 9 9 A I H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 7,-0.3 0.951 115.0 49.3 -63.8 -49.5 -3.5 -33.8 7.1 10 10 A R H >< S+ 0 0 83 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.849 101.2 64.5 -59.9 -34.8 -6.1 -31.5 8.8 11 11 A G H 3< S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.784 124.8 14.8 -58.6 -30.5 -8.9 -34.0 8.1 12 12 A D T + 0 0 23 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.862 68.6 50.9 -60.6 -43.7 -4.8 -34.4 12.2 14 14 A R H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 113.7 45.3 -61.4 -42.4 -4.3 -36.6 15.3 15 15 A T H > S+ 0 0 58 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.938 117.5 41.9 -68.0 -48.4 -3.6 -39.7 13.3 16 16 A Y H X S+ 0 0 34 -4,-2.4 4,-2.8 -7,-0.3 5,-0.3 0.902 113.9 53.2 -65.8 -42.1 -1.2 -38.1 10.8 17 17 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 5,-0.2 0.936 112.3 44.1 -60.7 -45.6 0.5 -36.0 13.5 18 18 A Q H X S+ 0 0 20 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.943 115.4 48.4 -64.9 -45.0 1.2 -39.1 15.6 19 19 A D H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.903 115.6 42.5 -62.3 -44.0 2.4 -41.2 12.6 20 20 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.898 113.7 51.2 -70.7 -42.1 4.7 -38.6 11.3 21 21 A F H X S+ 0 0 8 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.928 112.1 47.7 -62.3 -42.3 6.1 -37.6 14.7 22 22 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.915 108.7 54.3 -62.1 -41.8 6.8 -41.3 15.4 23 23 A A H X S+ 0 0 27 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.888 110.3 48.3 -60.0 -37.4 8.4 -41.6 11.9 24 24 A F H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.960 113.2 45.1 -64.2 -54.1 10.7 -38.7 13.0 25 25 A L H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 6,-0.2 0.851 115.6 47.7 -59.3 -38.8 11.6 -40.2 16.4 26 26 A N H < S+ 0 0 78 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.827 112.9 46.4 -75.8 -31.4 12.2 -43.7 14.9 27 27 A K H < S+ 0 0 80 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.832 128.2 28.2 -75.6 -33.1 14.4 -42.4 11.9 28 28 A Y S >< S+ 0 0 56 -4,-2.1 3,-2.2 -5,-0.2 4,-0.3 -0.707 72.0 174.8-128.2 74.5 16.4 -40.2 14.3 29 29 A P G > S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.750 74.0 68.2 -63.7 -22.7 16.3 -41.9 17.7 30 30 A D G > S+ 0 0 120 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.743 90.1 65.8 -68.6 -15.2 18.7 -39.4 19.3 31 31 A E G X S+ 0 0 8 -3,-2.2 3,-1.2 1,-0.2 -1,-0.3 0.701 84.4 73.5 -73.5 -19.3 15.9 -36.8 18.9 32 32 A R G X S+ 0 0 31 -3,-1.4 3,-2.2 -4,-0.3 6,-0.3 0.791 79.1 74.3 -65.7 -24.8 13.8 -38.7 21.4 33 33 A R G < S+ 0 0 164 -3,-0.8 -1,-0.2 -4,-0.4 3,-0.2 0.762 86.3 62.7 -59.9 -28.2 16.1 -37.5 24.3 34 34 A Y G < S+ 0 0 83 -3,-1.2 2,-0.6 1,-0.2 -1,-0.3 0.672 99.0 61.3 -67.1 -18.4 14.5 -34.0 24.0 35 35 A F X> - 0 0 48 -3,-2.2 3,-2.2 -4,-0.2 4,-0.7 -0.750 64.8-179.8-118.0 79.6 11.1 -35.7 25.0 36 36 A K G >4 S+ 0 0 183 -2,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.805 80.0 55.8 -48.1 -43.0 11.6 -37.2 28.5 37 37 A N G 34 S+ 0 0 89 1,-0.2 -1,-0.3 3,-0.0 15,-0.1 0.619 106.7 51.0 -69.6 -13.4 8.0 -38.5 28.7 38 38 A Y G X4 S+ 0 0 4 -3,-2.2 3,-1.1 -6,-0.3 -1,-0.2 0.537 79.9 116.3-104.9 -8.0 8.4 -40.5 25.4 39 39 A V T << S+ 0 0 80 -3,-0.8 3,-0.1 -4,-0.7 -6,-0.0 -0.337 81.2 13.6 -60.6 137.0 11.7 -42.3 26.3 40 40 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.737 98.9 122.6 70.9 26.4 11.4 -46.1 26.5 41 41 A K < - 0 0 71 -3,-1.1 -1,-0.2 4,-0.0 -3,-0.0 -0.970 55.0-133.8-126.6 134.7 8.0 -46.3 24.8 42 42 A S > - 0 0 56 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.213 36.5 -99.5 -72.0 171.3 6.8 -48.2 21.8 43 43 A D H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.940 124.4 47.6 -57.8 -49.0 4.7 -46.6 19.0 44 44 A Q H > S+ 0 0 130 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.837 108.3 54.2 -66.0 -35.0 1.5 -48.2 20.4 45 45 A E H > S+ 0 0 100 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.918 111.9 45.7 -62.9 -43.0 2.3 -47.2 24.0 46 46 A L H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 7,-0.3 0.919 109.6 53.3 -66.8 -42.8 2.7 -43.6 22.8 47 47 A K H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 104.2 58.2 -65.8 -22.4 -0.5 -43.7 20.8 48 48 A S H 3< S+ 0 0 94 -4,-1.3 2,-0.6 -3,-0.2 -1,-0.3 0.660 90.1 88.4 -76.1 -19.6 -2.4 -44.9 23.9 49 49 A M XX - 0 0 51 -3,-1.4 4,-1.9 -4,-0.5 3,-0.6 -0.748 66.2-153.9 -90.3 119.4 -1.4 -41.8 25.8 50 50 A A H 3> S+ 0 0 63 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.875 95.4 56.5 -54.6 -39.6 -3.7 -38.8 25.5 51 51 A K H 3> S+ 0 0 146 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.823 104.8 51.0 -66.1 -33.8 -0.8 -36.4 26.2 52 52 A F H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.3 5,-0.2 0.949 112.8 45.0 -68.7 -48.5 1.3 -37.7 23.3 53 53 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -7,-0.3 -2,-0.2 0.905 113.8 51.5 -59.3 -40.6 -1.6 -37.3 20.9 54 54 A D H X S+ 0 0 58 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.911 111.2 47.0 -64.3 -42.1 -2.3 -33.8 22.3 55 55 A H H X S+ 0 0 64 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.956 114.1 45.7 -64.3 -48.2 1.3 -32.8 21.9 56 56 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.876 111.7 52.9 -66.2 -36.8 1.6 -34.0 18.3 57 57 A E H X S+ 0 0 74 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.903 109.5 48.6 -61.2 -43.3 -1.7 -32.5 17.4 58 58 A K H X S+ 0 0 159 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.897 113.3 47.6 -67.1 -39.0 -0.6 -29.1 18.7 59 59 A V H X S+ 0 0 48 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.930 116.0 42.5 -63.9 -48.9 2.7 -29.3 16.8 60 60 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.823 108.6 59.2 -77.0 -28.5 1.1 -30.3 13.6 61 61 A N H X S+ 0 0 72 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.962 111.0 42.5 -55.3 -51.5 -1.7 -27.8 13.9 62 62 A L H X S+ 0 0 40 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.919 111.8 53.7 -63.4 -43.7 0.9 -25.1 14.0 63 63 A M H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.931 110.0 48.8 -54.7 -44.4 2.9 -26.6 11.2 64 64 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.833 109.3 52.2 -65.1 -34.0 -0.3 -26.6 9.1 65 65 A E H X S+ 0 0 66 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.929 111.1 47.1 -65.9 -44.9 -0.9 -23.0 10.0 66 66 A V H X S+ 0 0 2 -4,-2.6 4,-1.0 1,-0.2 10,-0.3 0.892 114.5 48.0 -61.8 -40.7 2.6 -22.1 8.9 67 67 A A H < S+ 0 0 3 -4,-2.4 3,-0.4 -5,-0.2 6,-0.2 0.917 111.8 48.1 -66.4 -44.3 2.1 -24.1 5.7 68 68 A D H < S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.5 49.8 -67.1 -32.2 -1.3 -22.5 4.9 69 69 A R H < S+ 0 0 107 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.661 93.0 100.1 -80.8 -16.8 0.1 -19.0 5.5 70 70 A A < - 0 0 18 -4,-1.0 2,-0.5 -3,-0.4 3,-0.1 -0.176 68.4-136.1 -65.5 157.0 3.1 -19.6 3.2 71 71 A T B > S-A 74 0A 47 3,-1.9 3,-2.2 1,-0.2 141,-0.1 -0.993 85.4 -15.9-114.0 127.3 3.2 -18.3 -0.4 72 72 A D T 3 S- 0 0 95 -2,-0.5 -1,-0.2 1,-0.3 140,-0.1 0.877 130.0 -53.5 43.8 47.9 4.6 -20.9 -2.9 73 73 A C T 3 S+ 0 0 6 -6,-0.2 -1,-0.3 1,-0.2 53,-0.3 0.678 109.8 126.7 64.0 19.5 5.9 -23.0 0.0 74 74 A V B < -A 71 0A 24 -3,-2.2 -3,-1.9 -7,-0.1 -1,-0.2 -0.936 53.9-141.3-104.9 113.3 7.8 -19.9 1.4 75 75 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.325 21.5 -99.5 -75.8 158.1 6.9 -19.5 5.1 76 76 A L >> - 0 0 75 -10,-0.3 4,-1.9 1,-0.1 3,-0.7 -0.531 22.3-129.5 -73.0 141.0 6.4 -16.1 6.7 77 77 A A H 3> S+ 0 0 79 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.856 109.5 58.7 -56.1 -39.5 9.3 -14.7 8.8 78 78 A S H 3> S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.852 105.9 48.6 -60.4 -37.1 6.8 -14.0 11.7 79 79 A D H <> S+ 0 0 9 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.901 110.6 49.5 -69.6 -41.9 6.0 -17.7 11.8 80 80 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.898 109.2 54.1 -58.4 -41.0 9.6 -18.7 11.7 81 81 A N H X S+ 0 0 75 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.910 104.7 53.8 -62.4 -41.9 10.1 -16.2 14.6 82 82 A T H X S+ 0 0 67 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.926 109.2 48.9 -54.7 -46.5 7.3 -17.9 16.6 83 83 A L H < S+ 0 0 17 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.879 113.0 46.1 -65.1 -39.2 9.1 -21.3 16.2 84 84 A V H < S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 112.9 50.3 -67.9 -37.8 12.5 -19.9 17.3 85 85 A Q H < S+ 0 0 131 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.482 77.2 119.8 -87.4 -2.6 11.0 -18.0 20.3 86 86 A E >< - 0 0 58 -4,-0.8 3,-2.0 -3,-0.4 4,-0.2 -0.450 66.8-135.1 -61.6 127.3 9.1 -21.0 21.7 87 87 A K G > S+ 0 0 169 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.879 105.2 54.2 -55.7 -40.2 10.5 -21.6 25.2 88 88 A Q G 3 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.580 103.6 58.2 -73.9 -6.8 10.7 -25.3 24.6 89 89 A H G X S+ 0 0 48 -3,-2.0 3,-1.6 1,-0.1 -1,-0.3 0.318 73.2 107.0-100.3 8.3 12.8 -24.7 21.4 90 90 A S T < S+ 0 0 99 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.814 79.7 44.3 -58.9 -36.6 15.6 -22.7 23.2 91 91 A S T 3 S+ 0 0 109 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.349 95.6 109.8 -92.9 9.6 18.3 -25.4 23.0 92 92 A L < - 0 0 30 -3,-1.6 45,-0.5 -8,-0.1 2,-0.3 -0.522 48.1-160.4 -94.1 153.1 17.6 -26.3 19.4 93 93 A T >> - 0 0 64 -2,-0.2 3,-1.4 44,-0.2 4,-0.7 -0.747 40.3-101.3-116.9 169.9 19.5 -25.8 16.1 94 94 A T H 3> S+ 0 0 26 1,-0.3 4,-2.6 -2,-0.3 3,-0.3 0.768 114.5 73.7 -66.5 -24.4 18.1 -25.9 12.6 95 95 A G H 3> S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.814 91.1 57.4 -56.0 -34.9 19.4 -29.5 12.2 96 96 A N H <> S+ 0 0 12 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.917 110.6 42.8 -60.3 -44.1 16.6 -30.7 14.4 97 97 A F H X S+ 0 0 19 -4,-0.7 4,-2.1 -3,-0.3 -2,-0.2 0.877 110.0 56.1 -71.1 -38.4 14.1 -29.2 12.1 98 98 A E H X S+ 0 0 102 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.931 107.3 50.6 -56.9 -47.4 15.9 -30.4 9.0 99 99 A K H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 106.4 55.0 -58.9 -45.4 15.7 -34.0 10.3 100 100 A L H X S+ 0 0 19 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.920 109.9 45.6 -55.0 -47.3 11.9 -33.6 11.0 101 101 A F H X S+ 0 0 8 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.830 108.5 55.8 -70.9 -29.4 11.3 -32.7 7.4 102 102 A V H X S+ 0 0 70 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.953 112.7 43.2 -59.7 -49.7 13.5 -35.5 6.0 103 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.871 113.6 51.9 -63.0 -39.3 11.3 -37.9 8.0 104 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 111.4 45.4 -65.9 -45.0 8.1 -36.1 6.9 105 105 A V H X S+ 0 0 15 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.925 113.4 50.7 -64.0 -42.9 9.0 -36.3 3.2 106 106 A E H X S+ 0 0 98 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.899 109.3 51.7 -58.3 -44.1 10.0 -39.9 3.5 107 107 A Y H X S+ 0 0 50 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.925 109.8 48.7 -60.0 -48.2 6.7 -40.7 5.3 108 108 A M H < S+ 0 0 4 -4,-2.3 7,-0.4 1,-0.2 -2,-0.2 0.881 111.4 48.8 -60.7 -40.9 4.7 -39.1 2.5 109 109 A R H < S+ 0 0 171 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.5 47.1 -69.0 -33.1 6.6 -40.9 -0.3 110 110 A A H < S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.710 97.2 96.4 -78.1 -22.5 6.1 -44.3 1.5 111 111 A S S < S- 0 0 37 -4,-1.5 4,-0.1 -5,-0.2 -3,-0.0 -0.245 77.6-131.8 -68.8 153.0 2.4 -43.6 2.1 112 112 A G S S+ 0 0 90 2,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.627 82.9 98.7 -72.9 -17.3 -0.4 -44.8 -0.1 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59.2 -60.0 -40.3 11.9 6.6 -26.9 185 47 B K H 3< S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.633 109.1 44.6 -69.2 -10.5 15.2 4.7 -27.3 186 48 B S T << S+ 0 0 114 -3,-1.2 2,-0.6 -4,-0.6 -1,-0.3 0.363 89.7 105.0-107.5 1.8 17.1 7.9 -27.9 187 49 B M <> - 0 0 48 -3,-1.5 4,-2.3 -4,-0.4 5,-0.2 -0.731 63.6-148.8 -88.3 123.1 15.3 9.9 -25.1 188 50 B A H > S+ 0 0 76 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.888 97.0 51.0 -57.1 -42.1 17.6 10.3 -22.1 189 51 B K H > S+ 0 0 100 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.885 109.4 49.8 -64.8 -42.0 14.7 10.2 -19.7 190 52 B F H > S+ 0 0 0 2,-0.2 4,-2.5 -6,-0.2 5,-0.3 0.919 112.8 46.9 -64.6 -44.5 13.3 7.0 -21.1 191 53 B G H X S+ 0 0 0 -4,-2.3 4,-1.9 -7,-0.3 -2,-0.2 0.938 116.2 45.7 -59.4 -49.1 16.7 5.3 -20.9 192 54 B D H X S+ 0 0 109 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.921 116.2 45.1 -55.2 -54.3 17.2 6.6 -17.3 193 55 B H H X S+ 0 0 59 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.942 112.8 46.9 -62.6 -53.9 13.7 5.7 -16.2 194 56 B T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.875 112.7 53.0 -60.4 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13.5 -7.5 -6.0 205 67 B A H >< S+ 0 0 3 -4,-2.7 3,-0.6 1,-0.2 6,-0.2 0.898 112.1 51.2 -58.9 -42.7 13.7 -10.8 -8.1 206 68 B D H 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 109.5 49.5 -68.5 -33.9 17.2 -11.5 -6.7 207 69 B R H 3< S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.598 93.5 102.3 -81.4 -11.7 16.1 -11.1 -3.1 208 70 B A << - 0 0 18 -4,-0.8 2,-0.5 -3,-0.6 -3,-0.0 -0.246 65.1-141.3 -65.7 155.6 13.1 -13.4 -3.6 209 71 B T B > S-B 212 0B 63 3,-1.8 3,-2.1 1,-0.1 -135,-0.1 -0.997 86.1 -13.8-116.2 125.2 12.9 -17.0 -2.4 210 72 B D T 3 S- 0 0 72 -2,-0.5 -1,-0.1 1,-0.3 -136,-0.1 0.860 131.0 -53.8 51.1 40.4 11.2 -19.3 -4.9 211 73 B C T 3 S+ 0 0 17 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.617 109.5 127.0 70.1 16.8 9.8 -16.2 -6.7 212 74 B V B < -B 209 0B 23 -3,-2.1 -3,-1.8 -140,-0.1 -1,-0.2 -0.915 51.9-144.2-103.3 112.3 8.3 -14.8 -3.5 213 75 B P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.304 21.9 -95.6 -76.3 163.1 9.5 -11.2 -3.0 214 76 B L > - 0 0 78 -10,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.496 22.8-130.1 -72.4 142.1 10.3 -9.5 0.3 215 77 B A H > S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.862 109.5 58.4 -58.8 -37.0 7.6 -7.5 2.0 216 78 B S H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 106.0 49.3 -64.3 -34.8 10.1 -4.6 2.4 217 79 B D H > S+ 0 0 10 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.918 111.1 48.5 -68.7 -44.2 10.7 -4.6 -1.4 218 80 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.913 108.7 55.1 -59.1 -44.1 6.9 -4.5 -2.0 219 81 B N H X S+ 0 0 56 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.922 104.1 54.6 -56.3 -42.6 6.6 -1.7 0.6 220 82 B T H X S+ 0 0 55 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.930 109.2 46.9 -55.7 -49.1 9.2 0.3 -1.4 221 83 B L H < S+ 0 0 22 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.873 112.8 49.6 -62.6 -38.6 7.1 0.0 -4.6 222 84 B V H < S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 113.4 46.5 -64.5 -40.7 3.9 1.0 -2.8 223 85 B Q H < S+ 0 0 133 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.551 77.4 121.0 -85.1 -8.2 5.6 4.0 -1.2 224 86 B E >< - 0 0 80 -4,-1.1 3,-2.5 -3,-0.3 4,-0.2 -0.373 67.2-133.1 -55.4 124.6 7.3 5.4 -4.3 225 87 B K G > S+ 0 0 182 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.869 105.3 54.8 -50.0 -41.8 5.8 8.9 -4.7 226 88 B Q G 3 S+ 0 0 176 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.510 103.1 58.1 -75.4 -2.3 5.2 8.4 -8.4 227 89 B H G X S+ 0 0 49 -3,-2.5 3,-1.4 1,-0.1 -1,-0.3 0.269 71.0 109.0-105.8 9.6 3.2 5.2 -7.6 228 90 B S T < S+ 0 0 102 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.815 80.8 43.4 -60.9 -32.0 0.6 7.0 -5.3 229 91 B S T 3 S+ 0 0 100 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.485 93.8 111.6 -92.6 -0.7 -2.3 6.6 -7.8 230 92 B L < - 0 0 28 -3,-1.4 45,-0.5 -8,-0.1 2,-0.3 -0.319 47.4-160.3 -79.7 152.7 -1.6 3.0 -8.8 231 93 B T >> - 0 0 65 44,-0.2 3,-1.4 43,-0.1 4,-0.7 -0.804 39.8-100.5-117.1 169.0 -3.6 -0.1 -8.2 232 94 B T H 3> S+ 0 0 25 -2,-0.3 4,-1.8 1,-0.3 3,-0.5 0.765 114.6 73.2 -62.3 -24.3 -2.3 -3.7 -8.4 233 95 B G H 3> S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.842 90.1 57.3 -56.6 -37.3 -3.9 -4.1 -11.8 234 96 B N H <> S+ 0 0 13 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.872 108.1 47.3 -63.4 -38.7 -1.2 -1.9 -13.4 235 97 B F H X S+ 0 0 21 -4,-0.7 4,-2.2 -3,-0.5 -1,-0.2 0.851 107.5 55.3 -70.9 -38.3 1.5 -4.2 -12.1 236 98 B E H X S+ 0 0 105 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.909 107.5 51.5 -57.3 -44.5 -0.4 -7.3 -13.4 237 99 B K H X S+ 0 0 84 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.921 106.7 53.1 -62.8 -43.9 -0.4 -5.8 -16.8 238 100 B L H X S+ 0 0 20 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.932 111.6 45.8 -55.7 -45.1 3.3 -5.1 -16.7 239 101 B F H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.870 107.7 55.6 -73.9 -31.4 4.0 -8.8 -15.9 240 102 B V H X S+ 0 0 55 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.941 112.3 44.4 -57.7 -47.2 1.6 -10.1 -18.5 241 103 B A H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.856 113.5 50.8 -65.1 -39.0 3.6 -8.0 -21.1 242 104 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.939 111.3 46.7 -63.4 -49.6 7.0 -9.2 -19.6 243 105 B V H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.896 112.4 50.2 -63.5 -40.8 6.0 -12.8 -19.7 244 106 B E H X S+ 0 0 92 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.916 108.8 52.6 -64.1 -42.1 4.8 -12.6 -23.3 245 107 B Y H X S+ 0 0 50 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.927 109.2 49.6 -56.2 -46.9 8.0 -10.9 -24.3 246 108 B M H < S+ 0 0 3 -4,-2.4 7,-0.4 1,-0.2 -2,-0.2 0.911 111.1 49.0 -61.1 -42.6 10.1 -13.7 -22.8 247 109 B R H < S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.5 46.2 -64.5 -39.1 8.0 -16.4 -24.6 248 110 B A H < S+ 0 0 90 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.708 96.9 96.3 -75.4 -21.4 8.3 -14.6 -27.9 249 111 B S S < S- 0 0 26 -4,-1.6 4,-0.1 -5,-0.2 -3,-0.0 -0.270 81.4-125.4 -69.7 153.9 12.1 -14.0 -27.5 250 112 B G S S+ 0 0 84 2,-0.1 2,-0.1 -2,-0.0 -1,-0.1 0.606 83.8 100.1 -77.1 -0.5 14.7 -16.3 -29.0 251 113 B Q S S- 0 0 85 -5,-0.1 2,-1.6 1,-0.1 -2,-0.1 -0.447 83.2-117.2 -85.3 153.3 16.1 -16.7 -25.4 252 114 B S + 0 0 121 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.355 51.2 165.1 -82.8 56.8 15.6 -19.6 -22.9 253 115 B F - 0 0 20 -2,-1.6 2,-1.5 -7,-0.4 3,-0.2 -0.428 46.3-124.5 -73.6 149.9 13.7 -17.6 -20.2 254 116 B D >> + 0 0 55 -115,-0.2 4,-1.5 1,-0.2 3,-0.8 -0.631 40.2 172.6 -89.8 76.8 11.8 -19.4 -17.5 255 117 B S H 3> + 0 0 9 -2,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.833 69.8 59.0 -61.8 -34.6 8.6 -17.4 -18.4 256 118 B Q H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.858 104.1 52.0 -64.6 -33.6 6.4 -19.4 -16.0 257 119 B S H <4 S+ 0 0 30 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.878 107.7 51.6 -68.4 -36.2 8.6 -18.4 -13.1 258 120 B W H < 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.878 360.0 360.0 -67.8 -33.8 8.2 -14.7 -14.1 259 121 B D < 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.947 360.0 360.0 -61.4 360.0 4.5 -15.3 -14.2 260 ! 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 0.0 261 123 B F > 0 0 5 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -45.8 6.9 -13.8 -9.5 262 124 B G H > + 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.900 360.0 48.7 -60.5 -41.4 4.5 -11.2 -10.9 263 125 B K H > S+ 0 0 138 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.919 113.6 46.7 -65.3 -42.5 1.5 -12.8 -9.2 264 126 B N H > S+ 0 0 20 -53,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.829 110.5 52.5 -69.8 -32.1 3.4 -12.9 -5.9 265 127 B L H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 109.3 49.7 -67.6 -43.8 4.6 -9.4 -6.3 266 128 B V H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 110.6 50.2 -58.5 -45.8 0.9 -8.3 -6.8 267 129 B S H X S+ 0 0 67 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.906 112.7 47.0 -58.1 -43.3 -0.1 -10.2 -3.7 268 130 B A H X S+ 0 0 13 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.870 108.8 53.6 -73.1 -33.3 2.7 -8.5 -1.7 269 131 B L H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.2 0.912 109.5 50.2 -62.7 -43.3 1.8 -5.0 -3.0 270 132 B S H ><5S+ 0 0 69 -4,-2.4 3,-1.8 3,-0.2 -2,-0.2 0.940 109.8 48.7 -59.5 -49.1 -1.8 -5.7 -1.8 271 133 B S H 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.4 56.8 -62.3 -29.4 -0.6 -6.7 1.6 272 134 B A T 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.448 132.4 -91.7 -83.4 -0.8 1.6 -3.6 1.8 273 135 B G T < 5S+ 0 0 52 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.500 75.9 143.3 109.6 7.6 -1.6 -1.5 1.2 274 136 B M < 0 0 11 -5,-2.6 -1,-0.3 1,-0.1 -43,-0.1 -0.610 360.0 360.0 -71.9 134.6 -1.9 -1.0 -2.6 275 137 B K 0 0 200 -45,-0.5 -44,-0.2 -2,-0.3 -1,-0.1 0.506 360.0 360.0 -81.3 360.0 -5.6 -1.1 -3.7