==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 08-MAY-13 4KMV . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR C.WANG,L.LOVELACE,L.LEBIODA . 274 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 75.9 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 57.3 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 0 0 0 2 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 59 0, 0.0 4,-2.2 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0-164.8 15.2 21.6 13.5 2 2 A F H > + 0 0 21 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.863 360.0 51.1 -59.6 -46.2 13.8 18.5 11.9 3 3 A K H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.915 111.6 47.5 -59.8 -43.4 17.2 17.6 10.1 4 4 A Q H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 106.8 57.7 -65.1 -36.7 19.1 18.0 13.4 5 5 A D H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.894 103.0 53.5 -60.7 -39.2 16.5 15.8 15.2 6 6 A I H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.917 110.6 47.6 -56.9 -45.6 17.2 13.0 12.7 7 7 A A H X S+ 0 0 51 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.900 111.8 49.7 -63.5 -41.3 21.0 13.4 13.7 8 8 A T H X S+ 0 0 31 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.953 114.5 43.8 -62.0 -49.6 20.1 13.4 17.4 9 9 A I H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 7,-0.3 0.942 113.0 52.3 -64.0 -44.8 18.0 10.3 17.1 10 10 A R H >< S+ 0 0 97 -4,-2.8 3,-1.2 -5,-0.3 -1,-0.2 0.851 99.9 63.5 -59.7 -36.7 20.5 8.5 14.9 11 11 A G H 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.777 124.5 15.1 -59.4 -30.1 23.3 9.2 17.3 12 12 A D T + 0 0 21 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.876 68.7 48.9 -54.8 -49.0 19.1 5.2 17.8 14 14 A R H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 112.5 49.0 -64.1 -40.0 18.5 2.1 19.9 15 15 A T H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.954 116.2 40.8 -64.1 -48.2 17.9 4.1 23.1 16 16 A Y H X S+ 0 0 26 -4,-2.2 4,-2.7 -7,-0.3 5,-0.3 0.882 114.8 53.4 -62.4 -44.5 15.5 6.6 21.5 17 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.948 112.9 43.0 -61.6 -46.6 13.7 3.7 19.5 18 18 A Q H X S+ 0 0 23 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.928 116.0 47.9 -62.7 -47.9 13.2 1.7 22.7 19 19 A D H X S+ 0 0 48 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.878 115.0 44.0 -62.5 -41.0 12.1 4.6 24.8 20 20 A I H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.898 112.9 51.3 -71.0 -39.5 9.7 6.0 22.2 21 21 A F H X S+ 0 0 17 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.915 110.8 49.3 -62.8 -45.3 8.2 2.5 21.4 22 22 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.925 108.3 53.1 -60.4 -40.4 7.6 2.0 25.1 23 23 A A H X S+ 0 0 28 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 110.7 49.2 -58.9 -41.4 5.9 5.4 25.4 24 24 A F H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 113.3 43.7 -59.9 -54.4 3.7 4.3 22.5 25 25 A L H < S+ 0 0 1 -4,-2.6 7,-0.2 1,-0.2 -2,-0.2 0.836 115.5 48.8 -63.5 -36.4 2.7 0.9 24.1 26 26 A N H < S+ 0 0 85 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.867 114.5 44.9 -76.0 -30.1 2.2 2.4 27.5 27 27 A K H < S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.863 127.8 29.4 -73.5 -37.1 0.0 5.3 26.1 28 28 A Y S >< S+ 0 0 50 -4,-2.3 3,-2.2 -5,-0.2 4,-0.3 -0.704 70.9 173.8-125.5 71.4 -2.0 2.9 23.9 29 29 A P G > S+ 0 0 83 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.819 73.6 67.3 -60.5 -27.2 -1.9 -0.4 25.7 30 30 A D G > S+ 0 0 122 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.780 89.7 67.6 -63.0 -22.0 -4.3 -2.1 23.2 31 31 A E G X S+ 0 0 13 -3,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.701 80.1 76.2 -71.3 -18.9 -1.6 -1.8 20.6 32 32 A R G X S+ 0 0 38 -3,-1.9 3,-2.7 -4,-0.3 6,-0.3 0.802 77.0 78.4 -62.6 -21.5 0.6 -4.3 22.5 33 33 A R G < S+ 0 0 153 -3,-1.1 -1,-0.2 -4,-0.4 3,-0.2 0.732 84.5 60.9 -59.2 -25.3 -1.8 -7.0 21.0 34 34 A Y G < S+ 0 0 69 -3,-1.4 2,-0.4 1,-0.2 -1,-0.3 0.517 101.3 56.2 -75.7 -10.0 0.0 -6.8 17.7 35 35 A F X + 0 0 44 -3,-2.7 3,-2.7 1,-0.1 4,-0.5 -0.744 66.8 177.7-125.3 76.8 3.3 -7.8 19.4 36 36 A K G > S+ 0 0 188 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.785 76.6 59.1 -64.6 -27.1 2.4 -11.1 21.0 37 37 A N G 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.509 101.6 56.2 -74.2 -9.9 5.9 -11.7 22.3 38 38 A Y G X S+ 0 0 6 -3,-2.7 3,-1.2 -6,-0.3 -1,-0.2 0.460 76.9 117.5-102.2 -6.9 5.8 -8.5 24.4 39 39 A V T < S+ 0 0 84 -3,-0.8 3,-0.1 -4,-0.5 -3,-0.0 -0.414 79.7 15.0 -62.6 131.8 2.7 -9.3 26.3 40 40 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.713 97.7 120.4 74.1 27.2 3.3 -9.5 30.0 41 41 A K < - 0 0 71 -3,-1.2 -1,-0.2 4,-0.0 -3,-0.0 -0.965 53.9-135.8-123.2 135.3 6.7 -7.8 30.1 42 42 A S > - 0 0 58 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.250 36.7 -96.6 -75.3 171.4 7.8 -4.6 31.9 43 43 A D H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.913 126.3 44.3 -49.8 -53.0 10.0 -1.9 30.3 44 44 A Q H 4 S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.861 110.3 55.1 -73.8 -32.2 13.1 -3.3 31.8 45 45 A E H 4 S+ 0 0 98 1,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.899 106.8 50.2 -63.5 -39.6 12.2 -6.9 30.8 46 46 A L H >< S+ 0 0 0 -4,-2.2 2,-2.4 1,-0.2 3,-1.9 0.912 94.7 74.5 -67.6 -37.3 11.7 -6.0 27.2 47 47 A K T 3< S+ 0 0 61 -4,-1.7 -1,-0.2 1,-0.2 3,-0.1 -0.494 100.1 43.5 -72.6 72.5 15.1 -4.3 27.2 48 48 A S T 3 S+ 0 0 111 -2,-2.4 2,-0.5 1,-0.4 -1,-0.2 0.188 82.8 102.1 164.5 -10.2 16.8 -7.8 27.2 49 49 A M S X> S- 0 0 48 -3,-1.9 3,-1.6 -4,-0.2 4,-1.3 -0.835 70.5-137.4 -87.7 128.4 14.8 -9.8 24.6 50 50 A A H 3> S+ 0 0 70 -2,-0.5 4,-2.0 1,-0.3 5,-0.2 0.865 100.5 51.9 -54.8 -46.4 16.9 -9.9 21.4 51 51 A K H 3> S+ 0 0 160 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.729 103.1 62.3 -64.4 -24.1 14.1 -9.2 19.1 52 52 A F H <> S+ 0 0 0 -3,-1.6 4,-2.4 -6,-0.2 5,-0.2 0.957 110.1 35.1 -68.2 -55.0 13.0 -6.2 21.1 53 53 A G H X S+ 0 0 3 -4,-1.3 4,-2.4 -7,-0.3 5,-0.2 0.922 121.8 48.2 -61.6 -40.8 16.1 -4.0 20.7 54 54 A D H X S+ 0 0 71 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.942 113.0 48.7 -70.7 -39.9 16.7 -5.3 17.2 55 55 A H H X S+ 0 0 63 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.938 113.3 46.3 -54.4 -57.3 13.0 -4.7 16.1 56 56 A T H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.915 111.8 50.6 -63.3 -41.0 12.9 -1.2 17.5 57 57 A E H X S+ 0 0 74 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.915 111.3 48.1 -61.5 -46.0 16.2 -0.3 15.9 58 58 A K H X S+ 0 0 146 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 111.5 50.4 -63.9 -39.0 15.1 -1.5 12.5 59 59 A V H X S+ 0 0 50 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.945 114.2 43.6 -61.9 -50.8 11.8 0.3 12.8 60 60 A F H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.840 108.1 58.4 -71.6 -29.6 13.5 3.6 13.7 61 61 A N H X S+ 0 0 73 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.952 110.5 43.6 -57.7 -50.0 16.2 3.1 11.1 62 62 A L H X S+ 0 0 37 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.891 112.0 53.2 -60.1 -47.7 13.4 3.0 8.4 63 63 A M H X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.919 109.8 48.6 -55.8 -43.3 11.6 5.9 10.0 64 64 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.841 109.6 51.8 -63.4 -39.0 14.8 8.0 9.9 65 65 A E H X S+ 0 0 65 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.914 112.0 46.8 -63.5 -44.5 15.4 7.0 6.2 66 66 A V H X S+ 0 0 5 -4,-2.5 4,-1.0 1,-0.2 10,-0.3 0.939 114.3 47.8 -63.4 -41.9 11.8 8.1 5.4 67 67 A A H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 6,-0.2 0.901 111.8 49.4 -65.4 -43.4 12.3 11.4 7.4 68 68 A D H < S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.3 49.3 -67.1 -33.5 15.6 12.1 5.7 69 69 A R H < S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.603 93.3 100.2 -79.1 -15.1 14.2 11.5 2.2 70 70 A A < - 0 0 11 -4,-1.0 2,-0.5 -3,-0.5 3,-0.1 -0.279 67.8-137.1 -66.7 158.8 11.2 13.8 2.8 71 71 A T B > S-A 74 0A 53 3,-2.2 3,-2.2 1,-0.2 141,-0.1 -0.995 83.9 -16.4-117.6 124.7 11.1 17.4 1.6 72 72 A D T 3 S- 0 0 65 -2,-0.5 -1,-0.2 1,-0.3 140,-0.1 0.882 130.2 -53.0 47.3 40.4 9.7 19.9 4.1 73 73 A C T 3 S+ 0 0 7 1,-0.2 -1,-0.3 -6,-0.2 53,-0.2 0.634 110.5 124.3 72.1 17.7 8.3 17.0 6.2 74 74 A V B < -A 71 0A 25 -3,-2.2 -3,-2.2 136,-0.1 -1,-0.2 -0.926 54.5-140.7-107.5 117.3 6.4 15.6 3.2 75 75 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.371 23.1 -96.7 -76.0 156.6 7.4 11.9 2.7 76 76 A L > - 0 0 72 -10,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.393 24.1-129.8 -70.3 143.7 7.9 10.3 -0.7 77 77 A A H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.884 109.3 59.6 -60.9 -35.3 5.0 8.4 -2.0 78 78 A S H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 104.0 51.0 -61.5 -37.5 7.3 5.4 -2.7 79 79 A D H > S+ 0 0 12 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.901 108.3 50.5 -68.9 -39.3 8.2 5.3 1.1 80 80 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.929 107.8 54.7 -63.0 -41.1 4.5 5.3 2.1 81 81 A N H X S+ 0 0 65 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.933 105.5 52.8 -57.8 -44.3 3.9 2.4 -0.4 82 82 A T H X S+ 0 0 65 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.922 108.8 50.4 -57.9 -48.8 6.7 0.3 1.3 83 83 A L H < S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.3 45.1 -60.5 -37.7 5.0 0.9 4.6 84 84 A V H < S+ 0 0 30 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 113.4 50.5 -70.1 -36.6 1.6 -0.3 3.4 85 85 A Q H < S+ 0 0 139 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.676 78.5 114.0 -81.1 -23.8 2.9 -3.3 1.5 86 86 A M >< - 0 0 43 -4,-1.6 3,-2.2 -5,-0.2 4,-0.2 -0.278 67.9-136.8 -53.0 125.9 5.0 -4.8 4.4 87 87 A K G > S+ 0 0 186 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.845 104.6 62.7 -54.0 -34.9 3.5 -8.1 5.4 88 88 A Q G 3 S+ 0 0 158 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.706 105.6 45.6 -65.4 -15.2 4.0 -7.1 9.0 89 89 A H G X S+ 0 0 48 -3,-2.2 3,-1.4 1,-0.1 -1,-0.2 0.165 77.5 112.0-111.1 13.7 1.6 -4.1 8.5 90 90 A S T < S+ 0 0 99 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.767 79.4 44.8 -63.8 -29.2 -1.1 -6.0 6.7 91 91 A S T 3 S+ 0 0 80 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.386 95.7 109.7 -95.4 7.2 -3.7 -5.7 9.5 92 92 A L < - 0 0 30 -3,-1.4 45,-0.5 -8,-0.1 2,-0.3 -0.439 46.6-164.2 -91.9 155.2 -3.0 -2.0 10.2 93 93 A T >> - 0 0 62 -2,-0.1 3,-1.4 43,-0.1 4,-0.9 -0.796 41.9 -98.1-123.5 170.4 -5.0 1.1 9.6 94 94 A T H 3> S+ 0 0 25 43,-2.5 4,-2.4 1,-0.3 3,-0.4 0.831 118.3 69.3 -62.4 -26.1 -4.0 4.8 9.5 95 95 A G H 3> S+ 0 0 15 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.816 92.5 57.9 -63.2 -31.8 -5.2 5.1 13.1 96 96 A N H <> S+ 0 0 14 -3,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.918 110.2 43.6 -60.5 -45.0 -2.3 2.9 14.3 97 97 A F H X S+ 0 0 20 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.868 108.7 57.4 -70.2 -36.9 0.2 5.3 12.7 98 98 A E H X S+ 0 0 105 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.925 108.6 47.6 -54.9 -48.1 -1.8 8.3 14.1 99 99 A K H X S+ 0 0 74 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.905 108.0 55.9 -59.8 -45.2 -1.3 6.8 17.6 100 100 A F H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.937 110.9 43.5 -51.2 -53.1 2.4 6.2 16.9 101 101 A F H X S+ 0 0 13 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.857 108.5 56.6 -70.3 -29.9 2.9 9.9 16.1 102 102 A V H X S+ 0 0 69 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.944 111.4 45.1 -63.6 -45.8 0.9 11.2 19.0 103 103 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.891 113.1 49.8 -62.1 -43.1 3.2 9.2 21.3 104 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.929 112.0 46.9 -61.8 -44.7 6.3 10.3 19.5 105 105 A V H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.919 112.2 50.8 -65.9 -41.3 5.3 14.0 19.6 106 106 A E H X S+ 0 0 91 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.920 110.0 51.1 -61.2 -44.7 4.4 13.7 23.3 107 107 A Y H X S+ 0 0 51 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.932 110.2 48.4 -55.2 -47.2 7.7 12.1 24.1 108 108 A M H < S+ 0 0 2 -4,-2.3 7,-0.3 1,-0.2 -2,-0.2 0.899 110.8 50.5 -66.1 -37.2 9.6 14.9 22.3 109 109 A R H < S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.8 47.8 -65.8 -36.7 7.7 17.6 24.1 110 110 A A H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.707 93.5 98.5 -76.4 -23.2 8.4 16.0 27.5 111 111 A S S < S- 0 0 29 -4,-1.6 4,-0.1 -5,-0.2 -3,-0.0 -0.324 80.9-126.3 -58.0 147.0 12.1 15.6 26.7 112 112 A G S S+ 0 0 90 2,-0.1 -1,-0.1 -2,-0.0 2,-0.1 0.699 83.4 97.4 -65.2 -10.4 14.6 18.1 28.1 113 113 A Q S S- 0 0 88 1,-0.1 2,-1.7 -5,-0.1 -2,-0.1 -0.419 85.2-113.0 -95.3 161.1 15.8 18.5 24.5 114 114 A S + 0 0 117 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.319 49.9 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