==== 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 OXIDOREDUCTASE 07-JAN-10 3LB2 . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR V.S.DE SERRANO,S.FRANZEN,M.K.THOMPSON,M.F.DAVIS,F.P.NICOLETT . 266 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 72.2 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 . 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 0.8 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 55.6 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 1 0 2 1 2 0 0 0 0 0 2 0 4 0 0 1 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 64 0, 0.0 4,-2.4 0, 0.0 114,-0.3 0.000 360.0 360.0 360.0-162.0 14.9 -21.5 -13.3 2 2 A F H > + 0 0 21 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.892 360.0 51.1 -58.8 -45.6 13.6 -18.3 -11.8 3 3 A K H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 110.8 48.7 -60.9 -43.1 16.9 -17.4 -10.2 4 4 A Q H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.904 106.8 57.1 -63.1 -39.3 18.8 -17.8 -13.4 5 5 A D H X S+ 0 0 9 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.890 103.1 53.3 -58.7 -40.5 16.2 -15.7 -15.2 6 6 A I H < S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.930 111.0 47.5 -57.4 -44.4 16.9 -12.9 -12.8 7 7 A A H < S+ 0 0 57 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.901 111.4 50.4 -63.1 -42.8 20.6 -13.2 -13.7 8 8 A T H < 0 0 44 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.954 360.0 360.0 -59.2 -51.0 19.8 -13.3 -17.5 9 9 A I < 0 0 5 -4,-2.8 3,-1.0 2,-0.2 7,-0.3 0.939 360.0 360.0 -63.7 360.0 17.7 -10.2 -17.3 10 ! 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 11 11 A G 0 0 93 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -32.8 23.0 -9.1 -17.4 12 12 A D > + 0 0 81 -3,-1.0 4,-2.4 -4,-0.9 5,-0.3 -0.387 360.0 157.8-136.4 59.0 21.4 -7.0 -20.0 13 13 A L H > + 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.864 68.0 50.9 -58.0 -45.7 18.9 -5.1 -18.0 14 14 A R H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 112.6 46.8 -65.4 -38.2 18.3 -2.1 -20.2 15 15 A T H > S+ 0 0 59 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.947 116.4 42.9 -66.7 -49.5 17.6 -4.2 -23.3 16 16 A Y H X S+ 0 0 57 -4,-2.4 4,-2.8 -7,-0.3 5,-0.3 0.898 113.6 53.0 -61.7 -41.4 15.3 -6.6 -21.6 17 17 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.942 113.0 42.9 -60.2 -48.6 13.5 -3.7 -19.8 18 18 A Q H X S+ 0 0 24 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.921 115.5 48.8 -64.0 -43.6 12.9 -1.8 -23.0 19 19 A D H X S+ 0 0 53 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.904 114.5 44.1 -67.2 -39.7 11.8 -4.9 -24.9 20 20 A I H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.917 113.4 51.1 -71.1 -41.5 9.4 -6.2 -22.3 21 21 A F H X S+ 0 0 17 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.925 111.8 47.2 -60.8 -44.2 7.9 -2.7 -21.7 22 22 A L H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.893 109.3 54.0 -65.3 -37.7 7.4 -2.3 -25.4 23 23 A A H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 109.0 50.4 -59.3 -41.0 5.8 -5.7 -25.6 24 24 A F H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.947 112.1 44.9 -60.5 -51.9 3.4 -4.6 -22.8 25 25 A L H < S+ 0 0 1 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.836 113.0 52.2 -64.2 -32.4 2.5 -1.4 -24.7 26 26 A N H < S+ 0 0 45 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.874 114.1 41.7 -71.4 -36.7 2.1 -3.4 -27.9 27 27 A K H < S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.847 130.9 26.8 -75.4 -35.1 -0.3 -5.9 -26.3 28 28 A Y S >< S+ 0 0 56 -4,-2.5 3,-2.3 -5,-0.2 4,-0.3 -0.655 70.1 172.4-128.7 70.6 -2.2 -3.3 -24.3 29 29 A P G > S+ 0 0 23 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.782 73.5 68.2 -57.3 -27.6 -1.9 -0.1 -26.3 30 30 A D G > S+ 0 0 94 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.744 86.1 71.5 -62.9 -20.8 -4.4 1.7 -24.1 31 31 A E G X S+ 0 0 19 -3,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.680 76.9 78.5 -68.6 -18.8 -1.8 1.5 -21.3 32 32 A R G X S+ 0 0 24 -3,-1.7 3,-2.4 -4,-0.3 6,-0.3 0.768 74.0 79.5 -62.5 -21.6 0.4 4.1 -23.0 33 33 A R G < S+ 0 0 219 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.728 84.2 61.5 -58.3 -24.3 -2.0 6.8 -21.7 34 34 A Y G < S+ 0 0 113 -3,-1.6 2,-0.5 1,-0.2 -1,-0.3 0.580 99.3 58.3 -78.1 -8.4 -0.2 6.6 -18.3 35 35 A F X> + 0 0 62 -3,-2.4 3,-2.4 -4,-0.2 4,-0.7 -0.735 65.0 178.3-124.6 79.1 3.0 7.7 -20.0 36 36 A K T 34 S+ 0 0 164 -2,-0.5 3,-0.5 1,-0.3 -1,-0.1 0.761 79.6 56.7 -58.5 -29.4 2.2 11.1 -21.5 37 37 A N T 34 S+ 0 0 42 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.556 104.1 53.6 -77.4 -12.1 5.8 11.6 -22.8 38 38 A Y T X4 S+ 0 0 8 -3,-2.4 3,-1.3 -6,-0.3 -1,-0.2 0.531 79.8 114.6 -99.6 -12.1 5.7 8.3 -24.7 39 39 A V T 3< S+ 0 0 62 -4,-0.7 3,-0.1 -3,-0.5 -6,-0.0 -0.404 84.9 8.4 -64.3 132.2 2.5 9.1 -26.7 40 40 A G T 3 S+ 0 0 42 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.696 99.0 125.8 72.4 22.7 3.0 9.4 -30.5 41 41 A K < - 0 0 78 -3,-1.3 99,-0.3 2,-0.0 -1,-0.2 -0.951 55.8-132.4-117.8 130.7 6.6 8.3 -30.4 42 42 A S - 0 0 47 -2,-0.4 5,-0.2 97,-0.2 98,-0.1 -0.246 34.9-102.6 -66.7 166.0 8.1 5.4 -32.5 43 43 A D 0 0 24 1,-0.2 4,-2.3 3,-0.2 5,-0.1 0.899 360.0 360.0 -59.0 -42.7 10.3 2.9 -30.7 44 44 A Q 0 0 141 2,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.882 360.0 360.0 -68.5 360.0 13.5 4.4 -32.0 45 ! 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 46 46 A L > 0 0 5 0, 0.0 3,-2.0 0, 0.0 7,-0.3 0.000 360.0 360.0 360.0 -45.4 11.6 6.5 -27.4 47 47 A K T 3 + 0 0 78 -4,-2.3 -3,-0.1 1,-0.3 6,-0.1 0.706 360.0 57.7 -65.5 -17.0 15.1 5.0 -27.2 48 48 A S T 3 S+ 0 0 106 -4,-0.8 2,-0.6 -5,-0.1 -1,-0.3 0.445 88.5 91.1 -89.8 -2.5 16.5 8.5 -28.0 49 49 A M S X> S- 0 0 45 -3,-2.0 4,-1.4 1,-0.1 3,-0.8 -0.846 72.5-143.8-100.1 123.5 14.8 10.0 -24.9 50 50 A A H 3> S+ 0 0 74 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.864 98.1 51.5 -52.2 -45.2 16.9 9.9 -21.8 51 51 A K H 3> S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.778 102.2 60.8 -65.2 -33.6 13.9 9.2 -19.4 52 52 A F H <> S+ 0 0 0 -3,-0.8 4,-2.0 -6,-0.3 5,-0.3 0.979 113.1 34.8 -60.3 -54.4 12.7 6.2 -21.5 53 53 A G H X S+ 0 0 3 -4,-1.4 4,-2.1 -7,-0.3 -2,-0.2 0.927 122.1 47.6 -65.1 -43.4 15.9 4.2 -21.0 54 54 A D H X S+ 0 0 61 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.948 116.6 40.2 -66.3 -50.5 16.5 5.5 -17.5 55 55 A H H X S+ 0 0 97 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.912 114.9 51.8 -67.3 -42.8 13.0 5.0 -16.1 56 56 A T H X S+ 0 0 4 -4,-2.0 4,-2.1 -5,-0.5 -1,-0.2 0.913 111.3 48.3 -62.8 -41.1 12.4 1.6 -17.8 57 57 A E H X S+ 0 0 60 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.917 111.4 50.0 -62.7 -42.3 15.7 0.3 -16.5 58 58 A K H X S+ 0 0 141 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.881 108.3 52.8 -68.7 -35.0 14.8 1.5 -13.0 59 59 A V H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.960 113.9 42.3 -57.7 -52.7 11.4 -0.1 -13.1 60 60 A F H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.821 109.0 58.4 -72.4 -27.6 12.9 -3.5 -14.1 61 61 A N H X S+ 0 0 75 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.945 109.9 44.3 -59.7 -47.5 15.8 -3.1 -11.5 62 62 A L H X S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.921 110.9 54.3 -64.8 -40.6 13.1 -2.8 -8.8 63 63 A M H X S+ 0 0 17 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.918 109.8 47.7 -57.0 -43.3 11.2 -5.7 -10.3 64 64 A M H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.852 109.4 53.0 -67.6 -35.5 14.4 -7.8 -10.1 65 65 A E H X S+ 0 0 71 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.927 112.4 45.0 -60.2 -47.8 15.0 -6.7 -6.5 66 66 A V H X S+ 0 0 4 -4,-2.6 4,-0.9 1,-0.2 10,-0.3 0.919 113.9 49.6 -63.2 -44.9 11.5 -7.8 -5.6 67 67 A A H >< S+ 0 0 0 -4,-2.7 3,-0.6 -5,-0.2 6,-0.2 0.906 111.0 49.1 -60.1 -43.5 11.9 -11.1 -7.5 68 68 A D H 3< S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 110.2 51.0 -69.4 -30.3 15.2 -11.9 -5.9 69 69 A R H 3< S+ 0 0 110 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.622 92.4 100.9 -80.0 -14.5 13.8 -11.2 -2.4 70 70 A A << - 0 0 11 -4,-0.9 2,-0.5 -3,-0.6 3,-0.1 -0.267 67.5-138.7 -67.1 154.8 10.9 -13.5 -3.0 71 71 A T B > S-A 74 0A 108 3,-1.9 3,-2.1 1,-0.1 -2,-0.1 -0.992 85.2 -16.5-113.0 123.7 10.8 -17.1 -1.7 72 72 A D T 3 S- 0 0 138 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.870 130.1 -53.5 46.0 45.7 9.4 -19.6 -4.2 73 73 A C T 3 S+ 0 0 5 -6,-0.2 -1,-0.3 1,-0.2 52,-0.2 0.612 109.6 126.4 64.7 20.5 7.9 -16.7 -6.2 74 74 A V B < -A 71 0A 83 -3,-2.1 -3,-1.9 -7,-0.1 -1,-0.2 -0.920 52.3-145.4-105.3 111.6 6.1 -15.3 -3.2 75 75 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.333 22.4 -93.7 -76.9 159.5 7.1 -11.6 -2.8 76 76 A L > - 0 0 74 -10,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.487 24.2-132.9 -65.9 136.5 7.5 -9.7 0.4 77 77 A A H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.861 108.5 59.6 -55.5 -37.2 4.5 -7.8 1.6 78 78 A S H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.864 103.7 50.0 -61.8 -38.3 6.8 -4.8 2.2 79 79 A D H > S+ 0 0 12 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.908 109.6 50.6 -67.5 -42.2 7.8 -4.8 -1.5 80 80 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.931 109.7 51.4 -58.6 -44.0 4.1 -4.9 -2.6 81 81 A N H X S+ 0 0 66 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.897 104.1 56.5 -63.7 -39.4 3.4 -2.0 -0.3 82 82 A T H X S+ 0 0 72 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.942 110.0 46.9 -52.9 -47.9 6.3 0.1 -1.7 83 83 A L H < S+ 0 0 17 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.9 48.0 -64.2 -38.9 4.7 -0.4 -5.1 84 84 A V H < S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.2 47.8 -66.9 -40.0 1.2 0.6 -3.9 85 85 A Q H < S+ 0 0 131 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.604 80.1 115.6 -82.4 -16.9 2.4 3.7 -2.0 86 86 A M >< - 0 0 50 -4,-1.2 3,-2.0 -5,-0.2 4,-0.1 -0.378 66.0-138.6 -56.8 128.2 4.6 5.1 -4.9 87 87 A K G > S+ 0 0 181 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.847 103.7 62.5 -57.2 -34.4 3.1 8.5 -5.9 88 88 A Q G 3 S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.644 106.0 46.5 -66.0 -16.1 3.7 7.4 -9.6 89 89 A H G X S+ 0 0 39 -3,-2.0 3,-1.6 1,-0.1 -1,-0.3 0.248 76.6 114.4-107.2 10.5 1.3 4.5 -9.0 90 90 A S T < S+ 0 0 99 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.748 81.3 39.5 -60.0 -29.2 -1.5 6.5 -7.3 91 91 A S T 3 S+ 0 0 77 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.381 95.8 107.2-102.4 3.7 -4.1 6.0 -10.1 92 92 A L < - 0 0 34 -3,-1.6 2,-0.3 -8,-0.1 -3,-0.1 -0.373 50.0-158.0 -81.8 159.0 -3.2 2.3 -10.9 93 93 A T >> - 0 0 82 42,-0.1 3,-1.4 -2,-0.1 4,-0.9 -0.826 38.8 -98.7-125.1 168.8 -5.2 -0.8 -10.2 94 94 A T H 3> S+ 0 0 34 -2,-0.3 4,-2.5 1,-0.3 3,-0.2 0.806 118.5 69.6 -60.6 -27.1 -4.0 -4.4 -9.9 95 95 A G H 3> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.815 92.9 56.8 -58.1 -33.9 -5.3 -4.9 -13.5 96 96 A N H <> S+ 0 0 17 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.911 110.4 44.1 -62.5 -42.5 -2.4 -2.7 -14.8 97 97 A F H X S+ 0 0 19 -4,-0.9 4,-2.3 -3,-0.2 -2,-0.2 0.886 109.6 56.1 -69.4 -39.6 0.1 -5.1 -13.1 98 98 A E H X S+ 0 0 108 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.927 108.2 49.1 -55.3 -47.5 -1.8 -8.2 -14.3 99 99 A K H X S+ 0 0 70 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 107.6 53.7 -61.6 -44.1 -1.4 -6.9 -17.9 100 100 A L H X S+ 0 0 25 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.930 111.6 45.5 -56.9 -46.0 2.3 -6.2 -17.5 101 101 A F H X S+ 0 0 11 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.859 109.2 54.4 -70.3 -33.7 2.9 -9.8 -16.3 102 102 A V H X S+ 0 0 67 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.946 113.2 43.9 -59.8 -46.7 0.8 -11.3 -19.1 103 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 112.6 52.1 -65.4 -40.1 2.9 -9.4 -21.6 104 104 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.922 111.4 46.3 -62.0 -46.5 6.1 -10.3 -19.8 105 105 A V H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.905 112.2 50.9 -64.0 -41.6 5.2 -14.0 -19.8 106 106 A E H X S+ 0 0 92 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.918 109.9 50.7 -61.3 -43.6 4.2 -13.9 -23.5 107 107 A Y H X S+ 0 0 51 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.928 110.7 48.8 -58.3 -47.6 7.5 -12.2 -24.3 108 108 A M H < S+ 0 0 5 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.912 111.4 48.8 -61.4 -42.9 9.5 -14.9 -22.4 109 109 A R H < S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.9 47.9 -66.9 -32.8 7.6 -17.7 -24.2 110 110 A A H < S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.671 93.3 96.8 -80.5 -19.7 8.2 -16.1 -27.6 111 111 A S < 0 0 40 -4,-1.4 -3,-0.0 -3,-0.3 -4,-0.0 -0.327 360.0 360.0 -69.1 151.3 11.9 -15.6 -26.9 112 112 A G 0 0 129 -2,-0.0 -1,-0.1 0, 0.0 -3,-0.1 0.460 360.0 360.0 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4,-2.6 -5,-0.2 5,-0.2 0.936 112.6 43.4 -59.6 -49.0 0.0 -2.7 -49.2 154 18 B Q H X S+ 0 0 22 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.918 114.2 50.1 -64.7 -42.4 -0.9 -5.6 -51.5 155 19 B D H X S+ 0 0 48 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.911 114.0 44.1 -67.1 -37.1 -2.3 -7.7 -48.7 156 20 B I H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.917 114.5 49.0 -71.5 -42.3 -4.5 -4.9 -47.3 157 21 B F H X S+ 0 0 20 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.918 111.8 49.4 -63.9 -41.4 -5.7 -3.8 -50.8 158 22 B L H X S+ 0 0 8 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.907 108.7 53.1 -62.1 -40.5 -6.5 -7.5 -51.6 159 23 B A H X S+ 0 0 32 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.910 110.8 48.3 -59.4 -42.0 -8.4 -7.8 -48.3 160 24 B F H X S+ 0 0 11 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.948 113.0 45.7 -60.6 -52.8 -10.4 -4.7 -49.3 161 25 B L H < S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.2 7,-0.2 0.855 114.3 48.7 -62.6 -36.0 -11.2 -5.9 -52.8 162 26 B N H < S+ 0 0 97 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.864 113.9 45.1 -73.7 -34.6 -12.2 -9.4 -51.5 163 27 B K H < S+ 0 0 93 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 129.9 26.1 -72.2 -34.5 -14.4 -8.0 -48.8 164 28 B Y >< + 0 0 38 -4,-2.5 3,-2.2 -5,-0.2 4,-0.3 -0.624 69.0 169.6-129.7 69.8 -16.0 -5.5 -51.3 165 29 B P G > S+ 0 0 63 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.789 73.9 66.6 -58.6 -28.5 -15.7 -6.9 -54.8 166 30 B D G > S+ 0 0 77 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.702 84.4 75.0 -64.1 -20.5 -18.0 -4.3 -56.3 167 31 B E G X S+ 0 0 5 -3,-2.2 3,-1.7 1,-0.3 -1,-0.3 0.675 74.6 80.7 -65.8 -15.6 -15.3 -1.7 -55.5 168 32 B R G X S+ 0 0 67 -3,-1.8 3,-1.8 1,-0.3 6,-0.3 0.722 73.2 77.4 -62.1 -18.6 -13.3 -3.1 -58.4 169 33 B R G < S+ 0 0 154 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.677 85.2 61.0 -68.2 -15.5 -15.5 -1.0 -60.7 170 34 B Y G < S+ 0 0 75 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.2 0.578 106.2 58.3 -81.6 -10.5 -13.4 2.1 -59.7 171 35 B F S < S- 0 0 80 -3,-1.8 2,-0.4 -4,-0.2 4,-0.1 -0.585 82.2-116.7-116.2 173.0 -10.4 0.4 -61.2 172 36 B K S S- 0 0 157 -2,-0.2 -3,-0.1 1,-0.1 -2,-0.0 -0.942 84.1 -1.9-117.5 137.1 -9.3 -1.0 -64.6 173 37 B N S S+ 0 0 114 -2,-0.4 -1,-0.1 1,-0.1 -5,-0.0 0.698 93.9 109.1 64.6 24.6 -8.5 -4.6 -65.4 174 38 B Y > + 0 0 7 -6,-0.3 3,-0.8 -3,-0.1 -1,-0.1 0.711 50.4 95.5 -98.9 -24.7 -8.9 -6.0 -61.9 175 39 B V T 3 S+ 0 0 94 1,-0.2 3,-0.1 -7,-0.2 -3,-0.0 -0.297 83.0 25.7 -64.6 148.9 -12.2 -8.0 -62.4 176 40 B G T 3 S+ 0 0 71 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.653 97.8 113.4 76.1 19.6 -12.0 -11.8 -63.2 177 41 B K < - 0 0 70 -3,-0.8 -1,-0.2 4,-0.0 2,-0.1 -0.962 58.5-135.1-129.7 138.9 -8.6 -12.3 -61.5 178 42 B S > - 0 0 61 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.354 41.4 -95.4 -77.5 169.6 -7.4 -14.2 -58.4 179 43 B D H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 125.4 49.0 -51.2 -47.9 -5.0 -12.6 -55.9 180 44 B Q H > S+ 0 0 133 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.874 109.6 51.7 -68.9 -34.8 -1.9 -14.2 -57.5 181 45 B E H >4 S+ 0 0 111 2,-0.2 3,-0.5 1,-0.2 4,-0.4 0.926 110.8 48.5 -64.3 -43.2 -3.0 -13.0 -61.0 182 46 B L H >< S+ 0 0 6 -4,-2.5 3,-1.8 1,-0.2 6,-0.3 0.942 108.0 54.7 -59.5 -46.3 -3.4 -9.4 -59.6 183 47 B K H 3< S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 6,-0.2 0.714 106.9 51.8 -62.8 -22.6 0.0 -9.6 -57.9 184 48 B S T << S+ 0 0 109 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.438 84.2 112.4 -94.2 -2.7 1.6 -10.5 -61.3 185 49 B M S <> S- 0 0 41 -3,-1.8 4,-0.5 -4,-0.4 3,-0.1 -0.373 78.3-117.7 -66.2 151.8 0.1 -7.6 -63.2 186 50 B A T 4 S+ 0 0 102 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.876 106.5 23.1 -55.9 -41.8 2.5 -5.0 -64.4 187 51 B K T > S+ 0 0 58 2,-0.1 4,-3.0 3,-0.1 5,-0.3 0.441 96.2 90.5-107.2 -17.9 1.0 -2.1 -62.3 188 52 B F H > S+ 0 0 0 -6,-0.3 4,-2.4 1,-0.2 5,-0.2 0.966 95.9 35.9 -56.4 -57.4 -0.9 -3.7 -59.4 189 53 B G H X S+ 0 0 3 -4,-0.5 4,-2.6 -7,-0.3 -1,-0.2 0.916 118.7 51.2 -62.7 -43.2 2.0 -3.7 -56.9 190 54 B D H > S+ 0 0 44 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.916 112.8 44.5 -63.8 -43.8 3.4 -0.4 -58.0 191 55 B H H X S+ 0 0 84 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.928 113.8 50.4 -65.2 -44.5 0.1 1.4 -57.8 192 56 B T H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.892 109.4 52.1 -61.4 -40.2 -0.7 -0.1 -54.4 193 57 B E H < S+ 0 0 79 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.923 107.9 50.4 -62.1 -43.9 2.7 0.9 -53.1 194 58 B K H < S+ 0 0 156 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.910 110.9 50.1 -63.9 -37.3 2.2 4.5 -54.2 195 59 B V H < 0 0 83 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.956 360.0 360.0 -60.8 -50.5 -1.2 4.5 -52.4 196 60 B F < 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.819 360.0 360.0 -73.6 360.0 0.2 3.1 -49.2 197 ! 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 0.0 198 62 B L > 0 0 57 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -41.8 1.1 8.3 -49.3 199 63 B M H > + 0 0 18 -4,-2.7 4,-2.5 1,-0.2 -3,-0.2 0.917 360.0 48.8 -56.6 -41.9 -1.2 6.8 -46.7 200 64 B M H > S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.862 109.7 51.8 -67.9 -35.0 1.8 6.3 -44.4 201 65 B E H > S+ 0 0 90 2,-0.2 4,-2.2 -5,-0.2 -1,-0.2 0.910 110.4 48.5 -63.6 -42.8 2.9 9.9 -44.9 202 66 B V H X S+ 0 0 3 -4,-2.6 4,-0.8 1,-0.2 10,-0.3 0.928 113.6 47.3 -63.0 -44.0 -0.6 11.1 -44.0 203 67 B A H >< S+ 0 0 1 -4,-2.5 3,-0.6 -5,-0.2 6,-0.2 0.899 112.2 50.0 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