==== 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 4KMW . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR C.WANG,L.LOVELACE,L.LEBIODA . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 78.4 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 . 160 58.6 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 4 0 0 1 0 2 1 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,-2.4 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0-165.2 15.1 21.5 13.6 2 2 A F H > + 0 0 21 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.888 360.0 51.2 -52.7 -45.3 13.8 18.3 11.9 3 3 A K H > S+ 0 0 118 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 111.0 47.1 -65.8 -42.4 17.1 17.6 10.2 4 4 A Q H > S+ 0 0 111 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.885 107.2 58.2 -62.8 -39.4 19.1 17.9 13.5 5 5 A D H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.875 102.2 54.6 -57.3 -39.3 16.5 15.7 15.3 6 6 A I H X S+ 0 0 3 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.929 110.6 45.7 -59.6 -45.5 17.3 13.0 12.7 7 7 A A H X S+ 0 0 50 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.910 112.2 51.2 -64.1 -41.9 21.0 13.3 13.7 8 8 A T H X S+ 0 0 31 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.954 114.5 43.4 -58.5 -49.8 20.1 13.3 17.4 9 9 A I H >< S+ 0 0 1 -4,-3.0 3,-1.3 1,-0.2 7,-0.3 0.941 113.0 51.2 -65.1 -46.3 18.0 10.2 17.1 10 10 A R H >< S+ 0 0 93 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.822 100.0 65.1 -61.6 -31.5 20.5 8.4 14.8 11 11 A G H 3< S+ 0 0 70 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.807 124.1 14.1 -63.5 -27.0 23.3 9.1 17.3 12 12 A D T + 0 0 23 -3,-1.1 4,-2.8 1,-0.3 5,-0.2 0.844 67.4 49.6 -58.9 -45.0 19.2 5.1 17.8 14 14 A R H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.877 112.4 49.8 -65.8 -36.1 18.5 2.0 19.8 15 15 A T H > S+ 0 0 56 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.946 115.6 40.8 -67.8 -47.9 17.9 4.0 23.0 16 16 A Y H X S+ 0 0 27 -4,-2.2 4,-2.8 -7,-0.3 5,-0.3 0.909 114.8 53.8 -63.6 -43.2 15.5 6.4 21.3 17 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.939 112.4 43.7 -58.9 -47.3 13.8 3.6 19.4 18 18 A Q H X S+ 0 0 20 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.924 115.4 46.6 -61.7 -49.6 13.3 1.6 22.5 19 19 A D H X S+ 0 0 47 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.862 116.0 44.7 -65.5 -39.2 12.0 4.5 24.7 20 20 A I H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.909 113.7 49.1 -72.6 -41.4 9.6 5.8 22.0 21 21 A F H X S+ 0 0 15 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.932 111.7 49.7 -65.2 -41.1 8.3 2.4 21.1 22 22 A L H X S+ 0 0 6 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.900 109.2 52.5 -60.9 -40.3 7.7 1.7 24.8 23 23 A A H X S+ 0 0 24 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.905 110.5 48.8 -59.8 -44.3 5.9 5.0 25.1 24 24 A F H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.962 113.1 45.3 -58.2 -53.8 3.7 4.0 22.2 25 25 A L H < S+ 0 0 1 -4,-2.9 7,-0.4 1,-0.2 -2,-0.2 0.873 116.3 46.9 -63.7 -36.8 2.9 0.6 23.7 26 26 A N H < S+ 0 0 77 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.888 113.4 46.5 -73.8 -37.7 2.2 2.1 27.1 27 27 A K H < S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 125.9 32.0 -70.0 -32.6 0.1 4.9 25.8 28 28 A Y >X + 0 0 55 -4,-2.4 3,-1.8 -5,-0.2 4,-0.8 -0.717 68.5 177.1-126.5 77.4 -1.9 2.5 23.6 29 29 A P H >> S+ 0 0 84 0, 0.0 4,-0.7 0, 0.0 3,-0.6 0.792 77.4 64.3 -56.8 -29.3 -2.1 -0.9 25.3 30 30 A D H >4 S+ 0 0 115 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.837 94.1 61.8 -63.2 -31.7 -4.3 -2.5 22.6 31 31 A E H X4 S+ 0 0 21 -3,-1.8 3,-1.9 1,-0.2 4,-0.3 0.865 92.8 64.6 -63.2 -31.8 -1.4 -2.0 20.2 32 32 A R H X< S+ 0 0 35 -4,-0.8 3,-2.7 -3,-0.6 6,-0.3 0.856 87.7 69.6 -58.6 -35.0 0.8 -4.3 22.3 33 33 A R T << S+ 0 0 186 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.689 88.3 64.3 -56.7 -21.5 -1.6 -7.2 21.5 34 34 A N T < S+ 0 0 90 -3,-1.9 2,-0.6 -4,-0.3 -1,-0.3 0.583 96.9 61.8 -73.5 -13.2 -0.3 -7.1 17.9 35 35 A F X> - 0 0 67 -3,-2.7 3,-2.2 -4,-0.3 4,-0.5 -0.815 69.4-175.1-118.4 84.8 3.1 -8.1 19.3 36 36 A K G >4 S+ 0 0 175 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.779 79.8 55.0 -54.3 -37.1 2.5 -11.5 20.8 37 37 A N G 34 S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.0 -4,-0.1 0.536 104.6 53.4 -78.6 -8.0 6.0 -11.9 22.3 38 38 A Y G X4 S+ 0 0 15 -3,-2.2 3,-1.2 -6,-0.3 -1,-0.2 0.442 78.5 115.3-105.2 -4.8 5.8 -8.6 24.2 39 39 A V T << S+ 0 0 76 -3,-0.7 3,-0.1 -4,-0.5 -6,-0.0 -0.460 83.0 14.3 -66.2 134.6 2.6 -9.3 26.0 40 40 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.738 98.4 121.6 72.2 27.3 3.1 -9.6 29.8 41 41 A K < - 0 0 69 -3,-1.2 -1,-0.2 4,-0.0 -3,-0.0 -0.977 55.2-133.5-124.7 134.1 6.6 -8.0 29.8 42 42 A S > - 0 0 60 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.237 36.0 -99.8 -70.1 167.9 7.8 -4.9 31.7 43 43 A D H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.930 125.4 48.4 -57.3 -46.1 9.9 -2.3 30.0 44 44 A Q H 4 S+ 0 0 141 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.883 109.5 52.0 -68.9 -35.3 13.0 -3.7 31.5 45 45 A E H >4 S+ 0 0 90 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.911 109.9 49.6 -63.3 -42.4 12.2 -7.3 30.4 46 46 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 7,-0.3 0.931 103.2 60.1 -60.8 -44.5 11.6 -6.1 26.9 47 47 A K T 3< S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.561 103.9 53.0 -64.3 -5.9 14.9 -4.3 26.9 48 48 A S T < S+ 0 0 94 -3,-1.1 2,-0.6 -4,-0.3 -1,-0.3 0.438 87.2 95.3-103.3 -5.0 16.5 -7.7 27.5 49 49 A M S X> S- 0 0 55 -3,-2.2 4,-1.7 -4,-0.4 3,-0.9 -0.788 70.1-143.3 -91.4 123.3 14.9 -9.5 24.6 50 50 A A H 3> S+ 0 0 73 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.857 98.2 49.0 -55.6 -44.5 17.1 -9.6 21.5 51 51 A K H 3> S+ 0 0 133 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.793 105.8 59.5 -70.0 -25.2 14.3 -9.1 18.9 52 52 A F H <> S+ 0 0 0 -3,-0.9 4,-2.4 -6,-0.3 5,-0.3 0.961 111.7 37.9 -64.4 -53.9 12.9 -6.2 20.9 53 53 A G H X S+ 0 0 2 -4,-1.7 4,-2.3 -7,-0.3 -2,-0.2 0.912 120.9 47.3 -60.4 -45.2 16.1 -4.2 20.6 54 54 A D H X S+ 0 0 59 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.934 114.6 44.2 -62.4 -50.9 16.7 -5.4 17.1 55 55 A H H X S+ 0 0 86 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.911 114.1 48.7 -67.4 -42.5 13.2 -4.8 15.7 56 56 A T H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.934 112.5 49.3 -64.4 -43.5 12.8 -1.4 17.3 57 57 A E H X S+ 0 0 70 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.916 112.1 48.0 -58.6 -43.3 16.2 -0.3 16.0 58 58 A K H X S+ 0 0 133 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.898 111.9 50.6 -65.7 -38.8 15.3 -1.5 12.4 59 59 A V H X S+ 0 0 69 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.935 113.8 43.4 -60.3 -51.0 11.9 0.2 12.5 60 60 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.859 108.9 58.0 -70.0 -32.0 13.5 3.5 13.6 61 61 A N H X S+ 0 0 68 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.956 110.2 43.7 -57.0 -47.6 16.3 3.2 11.1 62 62 A L H X S+ 0 0 46 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.927 112.1 54.2 -66.4 -39.6 13.7 3.0 8.3 63 63 A M H X S+ 0 0 18 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.927 109.8 46.9 -54.7 -46.7 11.8 5.9 9.9 64 64 A M H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.867 109.7 53.2 -68.2 -35.2 14.9 8.0 9.9 65 65 A E H X S+ 0 0 73 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.939 112.5 44.7 -62.2 -45.4 15.7 7.1 6.3 66 66 A V H X S+ 0 0 3 -4,-2.6 4,-1.0 2,-0.2 10,-0.3 0.915 113.7 50.5 -64.3 -43.2 12.2 8.2 5.3 67 67 A A H >< S+ 0 0 0 -4,-2.9 3,-0.5 -5,-0.2 6,-0.2 0.929 112.0 47.4 -59.3 -44.2 12.5 11.3 7.4 68 68 A D H 3< S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 110.9 50.3 -69.4 -33.2 15.8 12.2 5.8 69 69 A R H 3< S+ 0 0 102 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.618 93.7 100.7 -78.3 -13.5 14.6 11.6 2.2 70 70 A A << - 0 0 11 -4,-1.0 2,-0.5 -3,-0.5 3,-0.1 -0.257 67.4-138.9 -66.8 155.7 11.5 13.8 2.9 71 71 A T B > S-A 74 0A 45 3,-2.3 3,-1.9 1,-0.1 -2,-0.1 -0.991 84.4 -13.9-113.6 125.5 11.3 17.4 1.7 72 72 A D T 3 S- 0 0 58 -2,-0.5 -1,-0.1 1,-0.3 140,-0.1 0.890 130.8 -53.7 49.4 44.3 9.8 19.9 4.2 73 73 A C T 3 S+ 0 0 6 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.654 111.4 125.3 65.8 18.9 8.5 16.9 6.3 74 74 A V B < -A 71 0A 23 -3,-1.9 -3,-2.3 136,-0.1 -1,-0.2 -0.947 54.5-141.7-106.8 115.7 6.8 15.5 3.2 75 75 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.340 24.8 -94.6 -74.5 157.2 7.9 11.9 2.6 76 76 A L > - 0 0 71 -10,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.443 24.2-129.5 -65.7 138.5 8.5 10.4 -0.8 77 77 A A H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.877 110.3 57.9 -53.1 -40.5 5.6 8.5 -2.4 78 78 A S H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 105.2 49.5 -61.8 -39.5 8.0 5.7 -3.1 79 79 A D H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 109.4 50.8 -64.9 -41.8 8.8 5.4 0.6 80 80 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.939 107.3 56.1 -58.0 -42.8 5.1 5.4 1.5 81 81 A N H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 3,-0.4 0.947 105.9 50.6 -55.1 -49.1 4.8 2.6 -1.1 82 82 A T H X S+ 0 0 64 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.911 108.9 49.8 -55.2 -47.9 7.4 0.5 0.7 83 83 A L H < S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 114.4 45.2 -66.4 -30.4 5.7 0.8 4.1 84 84 A V H < S+ 0 0 32 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.901 114.6 48.2 -74.0 -41.6 2.4 -0.2 2.6 85 85 A Q H < S+ 0 0 139 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.678 80.7 115.1 -78.4 -22.5 3.8 -3.1 0.6 86 86 A M >< - 0 0 60 -4,-1.9 3,-2.2 -5,-0.2 4,-0.2 -0.300 66.3-138.2 -51.4 125.9 5.9 -4.7 3.5 87 87 A K G > S+ 0 0 88 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.861 105.3 62.9 -51.2 -40.2 4.6 -8.2 4.3 88 88 A Q G 3 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.688 104.6 48.8 -56.4 -23.9 5.1 -7.2 8.0 89 89 A H G X S+ 0 0 39 -3,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.277 72.1 105.7-106.3 8.6 2.5 -4.5 7.5 90 90 A S T < S+ 0 0 109 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.772 81.4 54.0 -63.0 -26.4 -0.4 -6.3 5.8 91 91 A S T 3 S+ 0 0 91 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.609 94.3 102.3 -76.0 -13.3 -2.4 -6.2 9.1 92 92 A L < - 0 0 33 -3,-1.4 45,-0.5 -8,-0.1 2,-0.3 -0.288 47.7-166.1 -88.7 156.6 -2.2 -2.4 9.5 93 93 A T >> - 0 0 58 43,-0.1 3,-1.1 -2,-0.1 4,-0.7 -0.806 43.5-102.1-121.0 171.2 -4.3 0.7 9.1 94 94 A T H 3> S+ 0 0 25 43,-2.3 4,-2.3 -2,-0.3 3,-0.4 0.773 116.4 70.9 -65.7 -24.9 -3.1 4.3 9.1 95 95 A G H 3> S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.840 91.0 58.9 -59.4 -34.0 -4.5 4.6 12.6 96 96 A N H <> S+ 0 0 27 -3,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.893 109.8 43.1 -60.3 -40.6 -1.6 2.4 13.9 97 97 A F H X S+ 0 0 21 -4,-0.7 4,-2.4 -3,-0.4 -2,-0.2 0.880 109.1 56.0 -74.3 -41.8 0.9 4.9 12.5 98 98 A E H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 108.4 49.9 -52.9 -50.2 -1.0 8.0 13.7 99 99 A K H X S+ 0 0 70 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.896 107.6 52.4 -57.0 -44.6 -0.8 6.5 17.2 100 100 A L H X S+ 0 0 20 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.937 112.4 46.3 -58.0 -43.9 3.0 5.8 16.9 101 101 A F H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.862 107.7 55.7 -70.8 -34.5 3.5 9.5 15.9 102 102 A V H X S+ 0 0 63 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.947 111.4 44.9 -58.9 -46.3 1.3 10.8 18.7 103 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.898 112.8 52.0 -64.5 -39.3 3.5 8.9 21.2 104 104 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.942 111.4 45.3 -62.0 -46.5 6.6 10.1 19.4 105 105 A V H X S+ 0 0 6 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.911 112.6 50.9 -65.4 -41.7 5.6 13.8 19.5 106 106 A E H X S+ 0 0 85 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.923 110.0 51.6 -64.4 -39.6 4.4 13.5 23.2 107 107 A Y H X S+ 0 0 50 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.936 109.9 49.1 -58.8 -44.9 7.8 12.0 24.0 108 108 A M H < S+ 0 0 3 -4,-2.3 7,-0.4 1,-0.2 3,-0.3 0.908 110.7 49.3 -65.3 -42.9 9.7 14.8 22.3 109 109 A R H < S+ 0 0 160 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 112.6 48.5 -60.7 -37.9 7.6 17.5 24.1 110 110 A A H < S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.672 94.8 92.8 -75.0 -19.5 8.3 15.8 27.5 111 111 A S S < S- 0 0 27 -4,-1.2 4,-0.1 -3,-0.3 -3,-0.0 -0.338 83.9-121.7 -80.3 161.7 12.0 15.5 26.9 112 112 A G S S+ 0 0 89 2,-0.1 -1,-0.1 -2,-0.0 2,-0.1 0.656 82.8 97.9 -69.7 -11.5 14.5 18.1 28.1 113 113 A Q S S- 0 0 91 -5,-0.1 2,-1.8 1,-0.1 -2,-0.1 -0.422 83.4-114.2 -96.1 156.8 15.7 18.5 24.5 114 114 A S + 0 0 121 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.346 51.0 162.0 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1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.715 102.6 51.1 -57.2 -25.9 7.7 22.7 -24.8 227 89 B H G X S+ 0 0 39 -3,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.169 70.8 115.9-104.9 17.8 10.4 22.5 -22.0 228 90 B S T < S+ 0 0 109 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.777 81.2 39.9 -65.9 -30.6 13.1 20.5 -23.8 229 91 B S T 3 S+ 0 0 100 -3,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.318 95.0 109.5-101.0 12.1 15.7 23.2 -23.7 230 92 B L < - 0 0 45 -3,-1.5 45,-0.4 -8,-0.1 2,-0.3 -0.454 47.6-160.1 -84.3 157.4 15.0 24.5 -20.1 231 93 B T >> - 0 0 58 -2,-0.1 3,-1.0 43,-0.1 4,-0.8 -0.825 35.9-105.1-124.5 169.7 17.1 24.2 -17.0 232 94 B T H 3> S+ 0 0 24 43,-2.3 4,-2.5 -2,-0.3 3,-0.4 0.782 115.7 69.0 -66.1 -27.5 16.2 24.5 -13.4 233 95 B G H 3> S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.823 92.7 58.7 -59.7 -33.9 17.9 27.9 -13.3 234 96 B N H <> S+ 0 0 29 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.894 110.7 42.2 -60.3 -39.8 15.1 29.2 -15.5 235 97 B F H X S+ 0 0 21 -4,-0.8 4,-2.3 -3,-0.4 -2,-0.2 0.880 109.7 56.6 -76.3 -41.0 12.5 28.2 -12.9 236 98 B E H X S+ 0 0 106 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0.924 112.2 49.3 -61.0 -43.6 13.3 23.1 -8.5 267 129 B S H X S+ 0 0 55 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.914 112.7 47.4 -59.7 -42.1 14.4 20.2 -6.4 268 130 B A H X S+ 0 0 22 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.866 110.9 51.2 -68.0 -37.9 11.6 18.0 -7.8 269 131 B L H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 -1,-0.2 0.911 111.0 48.0 -66.8 -41.5 12.5 19.0 -11.3 270 132 B S H ><5S+ 0 0 68 -4,-2.5 3,-2.1 3,-0.2 -2,-0.2 0.962 110.6 51.9 -60.4 -49.4 16.2 18.1 -10.8 271 133 B S H 3<5S+ 0 0 106 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.836 108.2 52.2 -54.1 -33.7 15.1 14.7 -9.3 272 134 B A T 3<5S- 0 0 25 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.380 130.6 -95.8 -89.9 1.4 12.9 14.1 -12.4 273 135 B G T < 5 + 0 0 54 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.526 69.7 148.4 107.9 8.9 16.0 14.8 -14.5 274 136 B M < 0 0 16 -5,-2.7 -1,-0.3 -6,-0.1 -43,-0.1 -0.567 360.0 360.0 -72.3 138.6 16.0 18.5 -15.6 275 137 B K 0 0 131 -45,-0.4 -43,-2.3 -2,-0.3 -42,-0.2 -0.065 360.0 360.0 -80.9 360.0 19.5 19.8 -16.0