==== 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 3MYN . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR E.F.BOWDEN,V.S.DE SERRANO,E.L.D'ANTONIO,S.FRANZEN . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14350.0 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 0 2 0 1 0 1 2 0 0 0 0 2 0 4 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 62 0, 0.0 4,-2.4 0, 0.0 115,-0.3 0.000 360.0 360.0 360.0-166.1 -1.5 -30.4 -4.7 2 2 A F H > + 0 0 32 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.904 360.0 49.7 -56.6 -48.1 -0.0 -28.6 -1.7 3 3 A K H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.892 111.4 48.7 -61.5 -41.5 -3.3 -26.9 -0.8 4 4 A Q H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 106.6 57.8 -63.7 -40.4 -5.3 -30.2 -1.0 5 5 A D H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.861 102.2 53.7 -57.8 -41.2 -2.6 -31.9 1.2 6 6 A I H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.918 110.6 47.7 -59.0 -42.9 -3.2 -29.3 3.9 7 7 A A H X S+ 0 0 49 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.891 112.5 48.8 -61.1 -45.8 -7.0 -30.3 3.7 8 8 A T H X S+ 0 0 22 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.917 114.1 45.6 -59.1 -48.1 -6.2 -34.0 3.8 9 9 A I H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 7,-0.3 0.927 114.1 47.9 -64.3 -44.1 -3.9 -33.5 6.8 10 10 A R H >< S+ 0 0 83 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.868 102.1 65.3 -64.0 -38.1 -6.4 -31.3 8.7 11 11 A G H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 123.7 15.5 -54.7 -32.0 -9.2 -33.8 8.0 12 12 A D T + 0 0 24 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 0.867 69.9 46.7 -59.4 -46.4 -5.0 -34.2 12.0 14 14 A R H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 113.1 49.9 -63.5 -41.4 -4.3 -36.4 15.1 15 15 A T H > S+ 0 0 60 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.936 118.0 38.2 -66.3 -48.2 -3.8 -39.6 13.0 16 16 A Y H X S+ 0 0 39 -4,-2.4 4,-2.4 -7,-0.3 5,-0.3 0.897 115.6 53.5 -67.5 -40.1 -1.4 -37.9 10.5 17 17 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.960 113.0 42.7 -61.9 -49.4 0.3 -35.9 13.2 18 18 A Q H X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.892 115.3 49.2 -63.9 -44.4 1.0 -39.0 15.4 19 19 A D H X S+ 0 0 49 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.875 115.3 42.3 -64.0 -39.8 2.1 -41.1 12.4 20 20 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.904 113.3 51.4 -77.0 -41.2 4.5 -38.6 11.0 21 21 A F H X S+ 0 0 8 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.903 112.2 48.4 -61.3 -39.0 6.0 -37.6 14.3 22 22 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.868 108.4 52.6 -65.6 -40.4 6.5 -41.3 15.1 23 23 A A H X S+ 0 0 29 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.887 110.2 51.9 -62.5 -35.9 8.2 -41.8 11.7 24 24 A F H X S+ 0 0 10 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.961 111.2 42.8 -65.3 -52.8 10.4 -38.9 12.6 25 25 A L H < S+ 0 0 1 -4,-2.5 7,-0.3 1,-0.2 6,-0.2 0.896 116.2 49.3 -63.0 -38.9 11.5 -40.2 16.0 26 26 A N H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.2 45.2 -70.7 -33.0 12.1 -43.8 14.7 27 27 A K H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 127.9 29.5 -76.9 -31.0 14.1 -42.6 11.6 28 28 A Y S >< S+ 0 0 49 -4,-1.9 3,-2.1 -5,-0.2 4,-0.4 -0.691 70.1 176.6-131.5 78.5 16.2 -40.3 13.8 29 29 A P G > S+ 0 0 94 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.699 75.4 68.5 -62.9 -24.9 16.3 -41.8 17.3 30 30 A D G > S+ 0 0 88 1,-0.2 3,-0.9 2,-0.2 4,-0.1 0.788 91.5 62.4 -59.0 -30.0 18.6 -39.1 18.6 31 31 A E G X S+ 0 0 9 -3,-2.1 3,-1.5 1,-0.2 4,-0.3 0.741 86.8 74.4 -73.1 -19.7 15.7 -36.6 18.2 32 32 A R G X S+ 0 0 35 -3,-1.0 3,-1.9 -4,-0.4 6,-0.3 0.792 82.1 68.0 -58.5 -32.4 13.7 -38.6 20.8 33 33 A R G < S+ 0 0 151 -3,-0.9 3,-0.3 -4,-0.4 -1,-0.2 0.568 86.0 68.3 -74.8 -4.5 15.9 -37.3 23.7 34 34 A Y G < S+ 0 0 99 -3,-1.5 2,-0.5 1,-0.2 -1,-0.3 0.672 100.4 53.4 -76.6 -18.5 14.4 -33.8 23.1 35 35 A F X - 0 0 50 -3,-1.9 3,-2.4 -4,-0.3 4,-0.4 -0.752 69.9-179.0-122.2 82.8 11.1 -35.2 24.4 36 36 A K G > S+ 0 0 176 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.744 79.3 59.4 -59.2 -32.8 11.9 -36.9 27.8 37 37 A N G 3 S+ 0 0 82 1,-0.2 -1,-0.3 3,-0.0 15,-0.1 0.629 104.1 54.4 -72.3 -10.4 8.4 -38.1 28.4 38 38 A Y G X S+ 0 0 6 -3,-2.4 3,-1.3 -6,-0.3 -1,-0.2 0.504 79.6 115.4 -99.0 -7.3 8.6 -40.1 25.1 39 39 A V T < S+ 0 0 78 -3,-0.8 3,-0.1 -4,-0.4 -6,-0.0 -0.376 81.5 12.0 -60.7 138.0 11.9 -42.0 26.0 40 40 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.597 97.7 121.5 73.7 13.5 11.4 -45.8 26.3 41 41 A K < - 0 0 77 -3,-1.3 -1,-0.2 2,-0.0 2,-0.1 -0.903 54.8-134.3-112.8 140.6 7.9 -46.0 24.8 42 42 A S > - 0 0 61 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.303 38.5 -93.8 -77.3 169.4 6.8 -48.0 21.8 43 43 A D H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.866 125.8 43.0 -52.1 -45.7 4.6 -46.6 19.0 44 44 A Q H > S+ 0 0 134 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.783 109.6 57.1 -79.6 -27.1 1.3 -47.8 20.6 45 45 A E H 4 S+ 0 0 97 2,-0.2 3,-0.4 1,-0.2 4,-0.3 0.893 109.5 46.5 -66.0 -39.0 2.4 -46.8 24.1 46 46 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 7,-0.3 0.914 108.7 54.8 -68.2 -42.4 2.9 -43.2 22.8 47 47 A K H 3< S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.629 105.7 53.6 -65.0 -16.4 -0.5 -43.4 21.0 48 48 A S T 3< S+ 0 0 91 -4,-0.7 2,-0.5 -3,-0.4 -1,-0.3 0.496 89.7 95.7 -94.7 -6.9 -2.1 -44.3 24.3 49 49 A M <> - 0 0 49 -3,-1.6 4,-1.9 -4,-0.3 3,-0.5 -0.768 65.7-152.7 -86.7 123.2 -0.6 -41.2 26.0 50 50 A A H > S+ 0 0 71 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.910 95.4 52.5 -59.8 -45.4 -2.9 -38.2 26.1 51 51 A K H > S+ 0 0 154 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.734 105.5 54.8 -65.5 -26.4 -0.0 -35.7 26.1 52 52 A F H > S+ 0 0 0 -3,-0.5 4,-2.7 -6,-0.3 5,-0.3 0.936 109.6 47.3 -71.3 -49.7 1.6 -37.3 23.0 53 53 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -7,-0.3 -2,-0.2 0.943 116.0 44.4 -51.9 -50.6 -1.7 -36.9 21.1 54 54 A D H X S+ 0 0 70 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.914 113.9 48.2 -69.9 -40.9 -2.1 -33.3 22.2 55 55 A H H X S+ 0 0 58 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.954 114.2 46.4 -60.2 -49.0 1.6 -32.3 21.6 56 56 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.883 111.6 52.4 -64.5 -37.4 1.6 -33.8 18.1 57 57 A E H X S+ 0 0 66 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.927 110.5 47.4 -58.1 -48.2 -1.8 -32.2 17.3 58 58 A K H X S+ 0 0 154 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.853 111.9 50.3 -67.1 -33.5 -0.5 -28.8 18.3 59 59 A V H X S+ 0 0 47 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.918 115.7 40.2 -69.9 -46.6 2.7 -29.2 16.3 60 60 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.809 111.0 58.4 -79.1 -28.1 1.0 -30.2 13.1 61 61 A N H X S+ 0 0 71 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.949 111.1 42.9 -56.9 -48.0 -1.7 -27.7 13.6 62 62 A L H X S+ 0 0 64 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.906 111.5 54.0 -67.0 -41.1 0.9 -25.0 13.6 63 63 A M H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.907 108.6 49.6 -59.9 -42.7 2.8 -26.5 10.7 64 64 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.885 108.9 52.8 -63.4 -37.7 -0.4 -26.4 8.7 65 65 A E H X S+ 0 0 64 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.877 111.3 45.9 -59.5 -44.1 -1.0 -22.7 9.6 66 66 A V H X S+ 0 0 4 -4,-2.2 4,-0.9 2,-0.2 10,-0.3 0.923 113.4 50.0 -66.8 -44.7 2.5 -21.9 8.4 67 67 A A H < S+ 0 0 2 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.859 111.3 48.9 -60.5 -37.6 1.9 -24.0 5.2 68 68 A D H < S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.779 111.5 48.6 -75.1 -26.2 -1.4 -22.1 4.7 69 69 A R H < S+ 0 0 103 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.604 93.3 104.9 -84.7 -14.3 0.2 -18.7 5.1 70 70 A A < - 0 0 20 -4,-0.9 2,-0.5 -3,-0.2 3,-0.1 -0.262 65.0-140.1 -69.4 151.6 3.0 -19.6 2.7 71 71 A T B > S-A 74 0A 45 3,-2.3 3,-1.6 1,-0.2 -2,-0.1 -0.986 83.5 -17.6-115.0 117.0 3.1 -18.3 -0.8 72 72 A D T 3 S- 0 0 47 -2,-0.5 -1,-0.2 1,-0.3 140,-0.1 0.896 130.0 -51.8 55.1 45.5 4.3 -20.8 -3.4 73 73 A C T 3 S+ 0 0 6 -6,-0.2 -1,-0.3 1,-0.2 53,-0.3 0.570 112.9 119.8 65.3 14.8 5.7 -23.0 -0.6 74 74 A V B < -A 71 0A 20 -3,-1.6 -3,-2.3 136,-0.1 -1,-0.2 -0.946 57.3-141.2-106.5 117.7 7.7 -20.2 0.9 75 75 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -8,-0.1 -0.247 27.6 -87.4 -76.5 166.0 6.6 -19.5 4.6 76 76 A L > - 0 0 76 -10,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.459 28.1-129.9 -74.6 143.8 6.3 -16.0 6.2 77 77 A A H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.882 111.4 52.7 -62.8 -35.6 9.5 -14.6 7.7 78 78 A S H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.830 106.2 52.7 -70.3 -30.8 7.4 -13.9 10.9 79 79 A D H > S+ 0 0 13 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.954 111.5 46.5 -65.9 -48.2 6.2 -17.5 11.0 80 80 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.898 111.0 52.6 -55.5 -43.5 9.9 -18.7 10.8 81 81 A N H < S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 102.3 59.6 -62.6 -40.2 10.8 -16.1 13.5 82 82 A T H < S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 108.6 44.2 -49.7 -49.5 8.1 -17.5 15.7 83 83 A L H < 0 0 20 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 360.0 360.0 -68.0 -35.6 9.8 -20.9 15.6 84 84 A V < 0 0 36 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.883 360.0 360.0 -72.9 360.0 13.3 -19.4 16.1 85 ! 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 86 86 A D > 0 0 65 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 130.3 10.4 -19.9 20.9 87 87 A K G > + 0 0 176 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.866 360.0 54.1 -43.9 -47.1 11.8 -21.0 24.2 88 88 A Q G 3 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.735 115.6 38.1 -66.9 -26.8 11.1 -24.7 23.3 89 89 A H G X S+ 0 0 52 -3,-1.2 3,-1.0 -6,-0.2 -1,-0.3 0.166 85.3 103.4-111.6 16.2 13.1 -24.4 20.0 90 90 A S T < S+ 0 0 85 -3,-1.2 -2,-0.1 -4,-0.3 -1,-0.1 0.860 82.1 46.6 -68.0 -37.8 15.9 -22.1 21.2 91 91 A S T 3 S+ 0 0 98 -4,-0.4 -1,-0.2 -3,-0.2 2,-0.2 0.128 94.5 105.3 -95.0 18.8 18.5 -24.9 21.5 92 92 A L < - 0 0 24 -3,-1.0 45,-0.4 -8,-0.1 2,-0.3 -0.566 55.9-148.0 -92.4 159.7 17.8 -26.4 18.0 93 93 A T >> - 0 0 68 -2,-0.2 3,-1.3 44,-0.2 4,-0.7 -0.796 36.2-103.7-116.1 168.3 19.7 -26.2 14.8 94 94 A T H >> S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.3 3,-0.6 0.798 115.5 74.5 -62.8 -28.0 18.1 -26.2 11.3 95 95 A G H 3> S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.797 89.3 55.7 -49.8 -39.0 19.2 -29.8 11.1 96 96 A N H <> S+ 0 0 11 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.887 111.2 44.2 -61.4 -41.9 16.5 -31.0 13.5 97 97 A F H > + 0 0 51 -115,-0.3 4,-1.4 1,-0.2 3,-0.5 -0.656 40.7 173.3 -87.2 78.0 2.3 -33.7 -3.4 117 117 A S H 3> S+ 0 0 21 -2,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.818 71.6 56.7 -63.7 -34.9 5.6 -34.8 -1.9 118 118 A Q H 3> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.865 104.9 52.5 -64.8 -38.3 7.8 -32.6 -4.0 119 119 A S H <> S+ 0 0 14 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.866 110.4 48.3 -64.0 -37.6 5.9 -29.5 -2.8 120 120 A W H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.863 109.1 53.2 -69.6 -37.4 6.4 -30.6 0.9 121 121 A D H X S+ 0 0 47 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.964 112.4 44.3 -55.7 -53.8 10.1 -31.1 0.1 122 122 A R H X S+ 0 0 66 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.926 113.3 51.8 -56.6 -48.3 10.3 -27.5 -1.3 123 123 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.933 110.4 48.0 -54.7 -50.7 8.3 -26.3 1.7 124 124 A G H X S+ 0 0 3 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.932 113.6 47.3 -54.1 -48.4 10.7 -28.0 4.2 125 125 A K H X S+ 0 0 120 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 113.3 47.6 -62.9 -43.2 13.8 -26.6 2.4 126 126 A N H X S+ 0 0 17 -4,-2.9 4,-2.0 -53,-0.3 -1,-0.2 0.825 111.5 51.1 -68.4 -35.3 12.3 -23.0 2.3 127 127 A L H X S+ 0 0 7 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.922 109.8 49.7 -64.4 -47.1 11.3 -23.2 5.9 128 128 A V H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.928 112.0 47.9 -56.7 -47.4 14.8 -24.3 6.8 129 129 A S H X S+ 0 0 60 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.879 111.1 50.8 -61.5 -39.5 16.3 -21.4 4.8 130 130 A A H X S+ 0 0 21 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.816 108.7 52.8 -66.8 -31.4 13.8 -19.0 6.5 131 131 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -2,-0.2 0.920 109.8 48.1 -68.1 -45.3 14.9 -20.4 9.9 132 132 A S H ><5S+ 0 0 71 -4,-2.3 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