==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-DEC-08 2ZX8 . COMPND 2 MOLECULE: ALPHA-L-FUCOSIDASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.-J.WU,T.-P.KO,C.-W.HO,C.-H.LIN,A.H.-J.WANG . 882 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 67 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 7 0 4 0 0 2 2 2 2 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 4 2 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 PARALLEL BRIDGES PER LADDER . 7 2 5 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 2 3 0 0 1 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 7 A R 0 0 238 0, 0.0 2,-0.4 0, 0.0 237,-0.0 0.000 360.0 360.0 360.0 158.8 25.6 9.5 33.7 2 8 A Y - 0 0 48 232,-0.3 7,-0.1 231,-0.1 236,-0.1 -0.780 360.0-140.9 -90.2 142.4 22.0 10.4 34.6 3 9 A K - 0 0 126 -2,-0.4 2,-1.9 2,-0.2 6,-0.2 -0.688 23.5-101.9-101.9 158.1 19.9 7.4 35.5 4 10 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 227,-0.2 -0.453 88.6 89.2 -79.1 63.7 16.3 6.8 34.6 5 11 A D S >> S- 0 0 56 -2,-1.9 4,-2.7 225,-0.2 3,-0.7 -0.968 82.1-115.6-154.6 150.5 14.7 7.7 37.9 6 12 A W H 3> S+ 0 0 29 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.810 111.8 57.7 -56.5 -32.8 13.5 11.0 39.4 7 13 A E H 34 S+ 0 0 43 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.841 112.6 39.5 -68.9 -36.4 16.0 11.0 42.2 8 14 A S H X4 S+ 0 0 5 -3,-0.7 3,-1.5 2,-0.2 -2,-0.2 0.898 112.7 54.7 -78.2 -42.7 19.0 10.9 39.8 9 15 A L H >< S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.3 -2,-0.2 0.818 93.1 72.9 -61.4 -29.1 17.3 13.3 37.3 10 16 A R T 3< S+ 0 0 17 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.806 82.9 71.7 -54.5 -31.7 16.9 15.8 40.2 11 17 A E T < S+ 0 0 31 -3,-1.5 2,-0.6 -4,-0.3 -1,-0.3 0.671 82.3 83.2 -57.1 -23.9 20.7 16.2 39.9 12 18 A H < + 0 0 4 -3,-2.5 2,-0.3 -4,-0.2 242,-0.2 -0.788 62.7 176.6 -88.7 123.9 20.2 18.1 36.6 13 19 A T - 0 0 74 -2,-0.6 242,-0.1 700,-0.2 3,-0.1 -0.769 43.6 -57.7-120.2 172.7 19.3 21.7 37.1 14 20 A V - 0 0 34 241,-0.5 -1,-0.1 -2,-0.3 230,-0.1 -0.162 63.2-114.1 -50.3 126.9 18.7 24.6 34.8 15 21 A P > - 0 0 4 0, 0.0 4,-1.8 0, 0.0 3,-0.3 -0.296 17.4-120.7 -65.6 151.1 21.7 25.2 32.6 16 22 A K H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.905 109.6 60.6 -60.2 -46.7 23.7 28.3 33.1 17 23 A W H > S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 107.7 46.6 -52.3 -39.0 23.2 29.5 29.5 18 24 A F H > S+ 0 0 0 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.912 109.3 51.7 -71.7 -42.6 19.4 29.5 30.1 19 25 A D H < S+ 0 0 59 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 117.4 40.7 -61.1 -34.6 19.5 31.3 33.4 20 26 A K H < S+ 0 0 111 -4,-2.2 331,-2.4 1,-0.2 332,-0.3 0.688 99.1 73.6 -86.6 -23.1 21.6 34.0 31.8 21 27 A A H < - 0 0 8 -4,-1.6 2,-1.9 -5,-0.3 -1,-0.2 0.790 65.1-179.7 -61.8 -36.2 19.9 34.3 28.5 22 28 A K < + 0 0 2 -4,-0.8 293,-2.8 -3,-0.2 2,-0.4 0.024 56.4 55.6 60.6 -28.5 16.8 36.2 29.8 23 29 A F E +a 315 0A 0 -2,-1.9 91,-3.0 291,-0.2 92,-0.5 -0.989 56.1 163.3-144.9 131.1 14.9 36.5 26.5 24 30 A G E -ab 316 115A 0 291,-2.6 293,-2.2 -2,-0.4 2,-0.5 -0.901 31.9-118.0-138.1 165.7 13.8 34.1 23.9 25 31 A I E -ab 317 116A 0 90,-3.0 92,-2.8 -2,-0.3 2,-0.3 -0.933 18.2-158.1-112.9 128.2 11.4 34.0 21.0 26 32 A F E -ab 318 117A 2 291,-2.8 293,-2.4 -2,-0.5 2,-0.4 -0.740 8.5-160.6 -93.5 145.8 8.4 31.6 20.9 27 33 A I E -ab 319 118A 0 90,-2.4 92,-2.4 -2,-0.3 2,-0.8 -0.860 11.2-172.9-136.5 107.6 7.0 30.8 17.5 28 34 A H + 0 0 5 291,-1.4 258,-0.4 256,-0.4 2,-0.4 -0.870 28.2 153.5 -97.1 105.9 3.5 29.4 17.0 29 35 A W + 0 0 6 -2,-0.8 2,-0.3 90,-0.2 93,-0.1 -0.996 10.0 112.8-137.7 125.8 3.3 28.6 13.3 30 36 A G S > S- 0 0 2 -2,-0.4 3,-1.9 291,-0.2 4,-0.3 -0.931 79.5 -58.1-169.2-166.2 1.2 26.0 11.6 31 37 A I G > S+ 0 0 0 1,-0.3 3,-1.2 -2,-0.3 5,-0.2 0.741 123.9 67.8 -66.3 -18.6 -1.7 25.4 9.3 32 38 A Y G 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.652 86.0 71.4 -70.0 -18.8 -3.9 27.5 11.6 33 39 A S G <4 S+ 0 0 2 -3,-1.9 290,-0.8 2,-0.2 -1,-0.3 0.727 87.7 65.5 -68.8 -21.5 -1.8 30.4 10.5 34 40 A V T <4 S+ 0 0 23 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.991 111.9 29.2 -68.4 -59.3 -3.5 30.2 7.1 35 41 A P T 4 S- 0 0 0 0, 0.0 253,-0.2 0, 0.0 -2,-0.2 0.935 91.2-177.8 -65.5 -32.2 -7.0 31.1 8.3 36 42 A G < + 0 0 0 -4,-2.2 252,-3.1 -5,-0.2 2,-0.3 0.875 28.0 134.0 39.0 61.6 -5.2 33.1 10.9 37 43 A W + 0 0 33 -5,-0.3 2,-0.3 22,-0.3 -1,-0.1 -0.993 20.0 146.3-145.6 133.6 -8.3 34.3 12.7 38 44 A A - 0 0 2 -2,-0.3 251,-0.2 19,-0.1 21,-0.1 -0.989 51.3-100.7-156.2 160.7 -9.8 34.6 16.2 39 45 A T - 0 0 21 17,-0.7 2,-2.4 -2,-0.3 3,-0.3 -0.783 36.5-138.4 -83.2 116.0 -12.0 36.9 18.3 40 46 A P + 0 0 37 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.385 44.3 156.2 -77.9 64.5 -9.5 39.0 20.3 41 47 A T - 0 0 65 -2,-2.4 2,-0.3 14,-0.4 15,-0.1 0.795 50.6 -71.9 -60.5 -43.0 -11.5 38.7 23.5 42 48 A G - 0 0 15 -3,-0.3 2,-0.3 240,-0.1 -1,-0.2 -0.980 58.8 -45.6 166.4-176.2 -8.9 39.3 26.2 43 49 A E >> - 0 0 70 -2,-0.3 3,-2.7 1,-0.1 4,-0.9 -0.594 60.9-100.2 -84.0 140.6 -5.9 38.0 28.2 44 50 A L T 34 S+ 0 0 23 1,-0.3 218,-1.7 -2,-0.3 219,-0.3 -0.387 114.8 33.1 -57.9 131.5 -5.8 34.5 29.6 45 51 A G T 34 S+ 0 0 46 2,-0.4 -1,-0.3 217,-0.1 4,-0.1 0.124 114.2 62.3 106.0 -17.8 -6.7 34.8 33.3 46 52 A K T <4 S+ 0 0 145 -3,-2.7 -2,-0.2 2,-0.1 -3,-0.0 0.533 85.0 79.6-112.5 -16.1 -9.1 37.8 32.6 47 53 A V S < S- 0 0 14 -4,-0.9 -2,-0.4 -5,-0.1 5,-0.1 -0.824 91.1-110.0 -95.7 126.6 -11.6 36.0 30.4 48 54 A P >> - 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-1.9 -0.313 20.5-132.9 -56.3 130.8 -14.2 33.9 32.3 49 55 A M T 34 S+ 0 0 68 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.556 102.6 69.6 -64.2 -2.8 -13.6 30.2 31.6 50 56 A D T 34 S+ 0 0 118 131,-0.1 -1,-0.3 1,-0.1 4,-0.0 0.603 113.6 27.2 -88.3 -13.4 -17.3 29.7 30.9 51 57 A A T X> S+ 0 0 37 -3,-2.3 3,-1.3 2,-0.1 4,-1.2 0.685 97.8 91.0-116.6 -30.3 -16.9 31.8 27.7 52 58 A W G >< S+ 0 0 6 -4,-1.9 3,-0.6 1,-0.3 -3,-0.1 0.773 87.8 43.7 -37.9 -57.8 -13.3 31.3 26.7 53 59 A F G >4 S+ 0 0 7 127,-0.4 3,-0.5 -4,-0.4 -1,-0.3 0.756 113.7 54.4 -69.4 -21.0 -13.5 28.3 24.4 54 60 A F G <4 S+ 0 0 53 -3,-1.3 19,-0.2 1,-0.2 -1,-0.2 0.708 125.1 22.5 -81.8 -22.1 -16.5 29.8 22.7 55 61 A Q G << S- 0 0 81 -4,-1.2 -14,-0.4 -3,-0.6 -1,-0.2 -0.427 88.2-178.6-140.5 54.4 -14.7 33.1 21.9 56 62 A N < - 0 0 1 -3,-0.5 -17,-0.7 1,-0.1 -3,-0.1 -0.433 21.7-161.7 -66.2 121.0 -11.2 31.9 22.0 57 63 A P + 0 0 0 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.542 68.7 96.0 -78.4 -6.1 -8.6 34.7 21.4 58 64 A Y > - 0 0 10 1,-0.2 3,-2.5 225,-0.2 225,-0.1 -0.744 60.3-163.9 -88.9 100.6 -5.9 32.0 20.6 59 65 A A G > S+ 0 0 0 -2,-1.0 3,-1.7 226,-0.5 -22,-0.3 0.825 85.1 68.9 -54.5 -30.4 -5.9 31.7 16.8 60 66 A E G 3 S+ 0 0 2 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.643 88.6 64.6 -68.8 -8.4 -4.1 28.5 17.0 61 67 A W G <> + 0 0 9 -3,-2.5 4,-2.6 1,-0.2 3,-0.5 0.207 67.1 121.3 -94.3 17.4 -7.2 26.9 18.6 62 68 A Y H <> + 0 0 2 -3,-1.7 4,-3.6 1,-0.3 5,-0.2 0.881 70.0 52.1 -48.1 -48.7 -9.0 27.5 15.3 63 69 A E H > S+ 0 0 6 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.913 110.6 46.2 -58.5 -43.6 -9.8 23.8 14.8 64 70 A N H > S+ 0 0 0 -3,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.925 115.5 47.4 -64.1 -43.6 -11.3 23.4 18.3 65 71 A S H >< S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.2 9,-0.3 0.925 109.0 55.2 -62.3 -43.5 -13.4 26.6 17.8 66 72 A L H 3< S+ 0 0 22 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.844 102.3 56.5 -59.2 -36.1 -14.4 25.4 14.3 67 73 A R H 3< S+ 0 0 45 -4,-1.9 2,-1.0 -5,-0.2 -1,-0.3 0.663 90.9 79.7 -71.0 -17.0 -15.8 22.2 15.8 68 74 A I S << S- 0 0 5 -3,-1.3 6,-0.4 -4,-0.6 3,-0.2 -0.828 87.7-137.5 -91.7 103.6 -18.1 24.2 18.1 69 75 A K S S+ 0 0 125 -2,-1.0 -2,-0.1 1,-0.2 4,-0.1 -0.188 83.8 22.3 -58.5 146.5 -20.9 25.1 15.7 70 76 A E S S+ 0 0 149 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.995 88.4 135.2 56.2 51.3 -22.2 28.6 15.9 71 77 A S S > S- 0 0 2 -3,-0.2 4,-2.0 -5,-0.1 3,-0.2 -0.875 75.3-107.7-119.0 155.0 -18.9 29.8 17.5 72 78 A P H > S+ 0 0 39 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.887 123.0 55.0 -51.9 -37.2 -17.7 33.0 15.8 73 79 A T H > S+ 0 0 6 -19,-0.2 4,-3.0 2,-0.2 5,-0.2 0.893 103.7 52.5 -61.8 -45.8 -15.0 30.9 14.2 74 80 A W H > S+ 0 0 39 -6,-0.4 4,-2.5 -9,-0.3 5,-0.2 0.946 112.0 46.7 -56.9 -48.8 -17.6 28.5 12.7 75 81 A E H X S+ 0 0 86 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.942 113.1 47.9 -57.9 -54.2 -19.4 31.5 11.1 76 82 A Y H X S+ 0 0 52 -4,-2.7 4,-1.5 1,-0.2 5,-0.2 0.920 113.4 48.9 -52.7 -47.3 -16.3 33.1 9.8 77 83 A H H X>S+ 0 0 4 -4,-3.0 4,-3.3 1,-0.2 5,-1.9 0.899 108.3 51.0 -60.6 -48.1 -15.1 29.8 8.3 78 84 A V H <5S+ 0 0 42 -4,-2.5 5,-0.3 1,-0.2 -1,-0.2 0.904 114.9 43.6 -61.9 -38.9 -18.4 28.9 6.6 79 85 A K H <5S+ 0 0 187 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.766 123.9 36.3 -77.0 -24.1 -18.5 32.4 4.9 80 86 A T H <5S+ 0 0 65 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.880 137.5 8.2 -97.0 -45.7 -14.8 32.3 4.0 81 87 A Y T <5S- 0 0 66 -4,-3.3 -3,-0.2 -5,-0.2 3,-0.1 0.693 106.3-111.6-111.3 -22.7 -13.9 28.8 3.1 82 88 A G > < - 0 0 23 -5,-1.9 3,-1.9 1,-0.1 -3,-0.1 0.029 25.7 -85.1 102.4 149.7 -17.2 27.1 3.0 83 89 A E T 3 S+ 0 0 128 -5,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.763 124.6 56.2 -61.1 -22.1 -19.0 24.4 5.1 84 90 A N T 3 S+ 0 0 153 -6,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.315 79.6 102.2 -95.0 10.0 -17.3 21.7 3.0 85 91 A F < - 0 0 27 -3,-1.9 2,-0.1 -8,-0.1 -4,-0.1 -0.818 63.6-152.3 -97.8 98.9 -13.8 22.8 3.8 86 92 A E > - 0 0 100 -2,-0.9 3,-1.4 1,-0.1 4,-0.3 -0.428 22.7-117.5 -67.4 148.1 -12.3 20.5 6.5 87 93 A Y G > S+ 0 0 5 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.848 111.7 64.1 -54.4 -43.5 -9.7 22.0 8.7 88 94 A E G > S+ 0 0 71 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.816 87.9 72.4 -52.5 -30.7 -7.0 19.4 7.6 89 95 A K G X> S+ 0 0 77 -3,-1.4 3,-1.9 1,-0.3 4,-0.7 0.747 78.3 75.0 -61.0 -24.6 -7.3 21.0 4.1 90 96 A F H X> S+ 0 0 0 -3,-2.4 4,-1.5 -4,-0.3 3,-0.7 0.792 80.6 71.6 -59.4 -25.2 -5.5 24.0 5.4 91 97 A A H <4 S+ 0 0 0 -3,-2.2 -1,-0.3 -4,-0.3 51,-0.2 0.797 96.3 51.9 -60.1 -26.1 -2.3 21.8 5.3 92 98 A D H <4 S+ 0 0 80 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.737 111.2 46.6 -82.4 -19.1 -2.6 22.1 1.4 93 99 A L H << S+ 0 0 76 -4,-0.7 2,-1.6 -3,-0.7 -2,-0.2 0.641 88.2 93.1 -93.3 -14.7 -2.8 25.9 1.6 94 100 A F < + 0 0 0 -4,-1.5 -1,-0.1 1,-0.2 230,-0.1 -0.598 45.4 145.3 -78.9 90.4 0.1 26.2 4.1 95 101 A T - 0 0 51 -2,-1.6 -1,-0.2 47,-0.2 229,-0.2 0.632 43.3-150.3-107.7 -12.9 2.8 26.7 1.6 96 102 A A > + 0 0 7 227,-1.8 3,-1.4 -3,-0.2 228,-0.2 0.890 32.5 165.6 43.4 45.4 5.3 29.1 3.3 97 103 A E T 3 S+ 0 0 163 1,-0.3 228,-0.1 226,-0.1 -1,-0.1 0.830 71.2 40.6 -62.6 -31.8 6.1 30.4 -0.2 98 104 A K T 3 S+ 0 0 137 226,-1.9 2,-0.3 2,-0.0 -1,-0.3 0.051 85.3 137.7-105.4 26.9 7.9 33.5 1.1 99 105 A W < + 0 0 17 -3,-1.4 227,-0.1 -4,-0.1 226,-0.1 -0.533 23.5 173.3 -81.4 134.6 9.8 31.8 4.0 100 106 A D >> - 0 0 68 225,-0.5 4,-1.9 -2,-0.3 3,-1.0 -0.801 11.5-169.1-137.3 92.7 13.4 32.7 4.7 101 107 A P H 3> S+ 0 0 13 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.863 88.1 54.0 -53.4 -36.3 14.7 31.1 7.9 102 108 A Q H 3> S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.829 106.0 54.0 -70.6 -25.7 17.9 33.2 8.0 103 109 A E H <> S+ 0 0 124 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.894 110.1 46.7 -72.2 -38.9 15.8 36.3 7.7 104 110 A W H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.970 113.2 49.9 -64.1 -49.6 13.8 35.1 10.8 105 111 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.922 109.9 49.0 -56.2 -47.2 17.0 34.3 12.7 106 112 A D H X S+ 0 0 73 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.922 111.2 50.6 -61.2 -40.9 18.6 37.6 11.9 107 113 A L H X S+ 0 0 14 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.922 111.1 48.5 -63.9 -39.5 15.4 39.4 13.1 108 114 A F H <>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 4,-0.2 0.872 113.4 47.1 -69.2 -33.7 15.4 37.4 16.3 109 115 A K H ><5S+ 0 0 109 -4,-2.5 3,-2.4 -5,-0.2 -2,-0.2 0.957 112.8 48.4 -68.3 -50.3 19.1 38.2 16.9 110 116 A K H 3<5S+ 0 0 92 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.819 105.3 60.8 -60.4 -28.5 18.6 41.8 16.2 111 117 A A T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.589 120.0-109.7 -76.5 -6.7 15.6 41.8 18.5 112 118 A G T < 5 + 0 0 9 -3,-2.4 -3,-0.2 1,-0.3 2,-0.2 0.492 68.1 145.4 94.7 4.1 17.9 40.8 21.4 113 119 A A < - 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0 0 4 -3,-0.5 -17,-0.7 1,-0.1 -3,-0.1 -0.436 21.4-161.2 -68.2 120.9 33.5 -3.3 61.9 499 63 B P S S+ 0 0 0 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.598 70.5 94.5 -77.9 -7.1 35.6 -0.1 62.4 500 64 B Y > - 0 0 12 225,-0.2 3,-2.4 1,-0.2 225,-0.1 -0.768 59.9-166.3 -84.9 101.1 32.4 1.9 63.3 501 65 B A G > S+ 0 0 0 -2,-1.0 3,-1.8 226,-0.5 -22,-0.3 0.789 85.7 68.4 -62.0 -27.6 32.3 1.7 67.1 502 66 B E G 3 S+ 0 0 3 1,-0.3 -1,-0.3 225,-0.1 3,-0.3 0.536 89.8 65.5 -67.7 -3.1 28.7 2.9 67.0 503 67 B W G <> + 0 0 15 -3,-2.4 4,-2.7 1,-0.2 3,-0.5 0.240 67.4 119.2 -98.9 12.6 27.9 -0.5 65.4 504 68 B Y H <> + 0 0 1 -3,-1.8 4,-3.7 1,-0.2 5,-0.2 0.870 69.5 51.3 -44.8 -52.7 28.9 -2.2 68.7 505 69 B E H > S+ 0 0 5 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.918 111.3 46.9 -57.5 -44.0 25.5 -3.8 69.2 506 70 B N H > S+ 0 0 0 -3,-0.5 4,-0.7 2,-0.2 -1,-0.2 0.958 115.3 47.0 -63.0 -46.3 25.4 -5.3 65.7 507 71 B S H >< S+ 0 0 4 -4,-2.7 3,-1.4 1,-0.2 9,-0.4 0.926 109.5 54.8 -59.7 -41.2 29.0 -6.6 66.3 508 72 B L H 3< S+ 0 0 22 -4,-3.7 -1,-0.2 -5,-0.3 -2,-0.2 0.909 102.0 58.0 -60.9 -36.9 28.0 -7.9 69.7 509 73 B R H 3< S+ 0 0 61 -4,-2.3 2,-1.0 -5,-0.2 -1,-0.3 0.691 89.6 79.7 -68.2 -15.9 25.2 -9.9 68.2 510 74 B I S << S- 0 0 5 -3,-1.4 6,-0.4 -4,-0.7 -1,-0.1 -0.814 89.1-131.3 -94.0 102.7 27.7 -11.8 65.9 511 75 B K S S+ 0 0 121 -2,-1.0 -2,-0.1 1,-0.2 4,-0.1 -0.154 84.3 13.2 -54.3 141.7 29.2 -14.4 68.3 512 76 B E S S+ 0 0 139 1,-0.2 -1,-0.2 -4,-0.1 3,-0.1 0.988 89.7 136.2 50.5 64.7 32.9 -14.7 68.3 513 77 B S S > S- 0 0 6 -3,-0.1 4,-2.0 -5,-0.1 5,-0.3 -0.869 77.1 -99.0-126.3 158.4 33.4 -11.4 66.5 514 78 B P H > S+ 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.930 126.6 52.7 -51.0 -38.1 36.2 -9.3 68.0 515 79 B T H > S+ 0 0 6 -19,-0.2 4,-3.3 2,-0.2 5,-0.2 0.916 104.8 52.8 -61.9 -44.2 33.4 -7.3 69.7 516 80 B W H > S+ 0 0 43 -6,-0.4 4,-3.0 -9,-0.4 5,-0.2 0.948 113.3 44.3 -57.5 -48.9 31.8 -10.4 71.3 517 81 B E H X S+ 0 0 102 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.938 114.3 48.9 -62.2 -49.2 35.1 -11.5 72.8 518 82 B Y H X S+ 0 0 51 -4,-2.9 4,-1.9 -5,-0.3 5,-0.3 0.951 114.8 46.1 -55.0 -47.2 36.0 -8.1 73.9 519 83 B H H X>S+ 0 0 4 -4,-3.3 4,-3.5 -5,-0.2 5,-1.6 0.930 109.6 51.5 -61.9 -50.0 32.6 -7.6 75.5 520 84 B V H <5S+ 0 0 43 -4,-3.0 5,-0.3 1,-0.2 -1,-0.2 0.825 115.3 43.5 -57.7 -36.0 32.4 -11.0 77.2 521 85 B K H <5S+ 0 0 174 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.781 122.1 36.9 -80.5 -31.7 35.8 -10.5 78.9 522 86 B T H <5S+ 0 0 66 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.871 138.8 8.5 -88.8 -40.8 35.2 -6.8 79.9 523 87 B Y T <5S- 0 0 64 -4,-3.5 -3,-0.2 -5,-0.3 3,-0.1 0.665 101.9-120.5-114.3 -28.2 31.5 -6.9 80.8 524 88 B G > < - 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