==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-11 3S5Z . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.I.GUCE,N.E.CLARK,S.C.GARMAN . 780 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 12.7 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 48 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 6 2 0 6 0 0 0 4 0 6 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 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 0 PARALLEL BRIDGES PER LADDER . 6 0 0 0 5 5 2 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 . 2 0 0 0 2 0 0 2 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 32 A L 0 0 30 0, 0.0 2,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 125.5 21.8 58.7 9.2 2 33 A D + 0 0 148 188,-0.5 227,-0.1 1,-0.2 228,-0.0 -0.431 360.0 116.6 -90.0 64.2 19.3 61.0 7.4 3 34 A N S S- 0 0 39 -2,-1.7 -1,-0.2 2,-0.2 3,-0.1 0.200 88.4-107.0-111.7 13.6 17.3 58.4 5.5 4 35 A G S S+ 0 0 50 1,-0.3 3,-0.3 -3,-0.2 2,-0.2 0.462 85.1 113.9 74.4 2.4 14.0 58.9 7.2 5 36 A L + 0 0 30 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 -0.621 59.9 26.6-105.5 164.7 14.4 55.6 9.1 6 37 A A + 0 0 14 -2,-0.2 223,-3.1 1,-0.1 -1,-0.2 0.892 60.4 157.1 57.1 43.6 14.8 54.7 12.7 7 38 A R S S+ 0 0 121 -3,-0.3 -1,-0.1 221,-0.3 223,-0.1 0.754 80.7 25.7 -71.4 -24.9 13.0 57.8 13.9 8 39 A T S S- 0 0 47 220,-0.1 282,-0.1 221,-0.1 3,-0.1 -0.882 121.8 -72.3-121.3 161.6 12.5 55.7 17.0 9 40 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 252,-0.1 -0.256 58.8-104.2 -57.6 139.2 14.8 52.9 18.0 10 41 A T - 0 0 7 -4,-0.1 253,-1.9 183,-0.1 2,-0.4 -0.399 35.3-156.8 -65.4 137.0 14.4 49.8 15.7 11 42 A M E +a 263 0A 4 43,-0.3 46,-1.8 251,-0.2 45,-1.5 -0.950 34.4 101.5-118.1 139.0 12.4 46.9 17.1 12 43 A G E -ab 264 57A 0 251,-2.6 253,-2.8 -2,-0.4 2,-0.4 -0.957 61.1 -75.1 179.6-165.0 12.7 43.3 16.0 13 44 A W E -ab 265 58A 0 44,-2.9 46,-2.9 -2,-0.3 2,-0.4 -0.969 31.3-170.9-126.5 138.5 14.1 39.8 16.4 14 45 A L E - b 0 59A 11 251,-3.1 4,-0.4 -2,-0.4 3,-0.3 -0.999 16.5-147.3-135.8 131.3 17.7 38.7 15.7 15 46 A H S >>S+ 0 0 0 44,-1.3 4,-2.8 -2,-0.4 5,-0.7 0.728 71.7 90.8 -72.8 -20.9 18.8 35.0 15.7 16 47 A W H >5S+ 0 0 48 1,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.823 81.6 42.3 -58.7 -57.5 22.3 35.4 16.9 17 48 A E H 45S+ 0 0 1 -3,-0.3 703,-1.6 1,-0.2 -1,-0.2 0.910 125.8 33.1 -60.3 -42.6 22.4 35.1 20.7 18 49 A R H 45S+ 0 0 20 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.867 134.8 22.7 -80.8 -39.3 20.0 32.2 21.0 19 50 A F H ><5S+ 0 0 14 -4,-2.8 3,-0.9 701,-0.2 -3,-0.2 0.644 81.9 172.1-108.0 -18.3 20.7 30.2 17.7 20 51 A M T 3<< - 0 0 47 -4,-2.3 2,-0.4 -5,-0.7 -1,-0.1 -0.064 63.1 -25.4 48.8-136.2 24.3 31.3 16.8 21 52 A a T 3 S+ 0 0 48 11,-0.0 2,-1.0 -5,-0.0 -1,-0.2 -0.446 76.1 160.7-111.5 56.2 26.0 29.5 13.9 22 53 A N < + 0 0 33 -3,-0.9 11,-2.9 -2,-0.4 -2,-0.0 -0.694 5.6 163.6 -84.8 103.5 24.2 26.2 14.0 23 54 A L + 0 0 79 -2,-1.0 2,-1.4 9,-0.2 -1,-0.2 0.389 42.7 103.6 -98.1 1.4 24.8 24.5 10.6 24 55 A D > + 0 0 71 1,-0.2 4,-2.1 2,-0.1 7,-0.2 -0.599 31.1 159.4 -94.6 82.5 23.7 21.0 11.5 25 56 A b T 4 S+ 0 0 45 -2,-1.4 -1,-0.2 2,-0.2 7,-0.1 0.603 70.4 63.2 -80.8 -7.4 20.3 20.5 10.1 26 57 A Q T 4 S+ 0 0 169 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.966 117.2 24.3 -74.8 -56.2 20.6 16.7 10.2 27 58 A E T 4 S+ 0 0 98 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.838 139.4 27.0 -76.3 -36.5 20.9 16.4 14.0 28 59 A E >X + 0 0 39 -4,-2.1 3,-1.3 1,-0.1 4,-1.3 -0.518 65.8 157.5-131.1 64.8 19.1 19.7 14.9 29 60 A P T 34 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.803 74.7 53.7 -60.9 -32.2 16.6 20.5 12.1 30 61 A D T 34 S+ 0 0 89 1,-0.2 -5,-0.1 6,-0.0 4,-0.1 0.546 119.0 31.4 -85.3 -6.8 14.4 22.7 14.3 31 62 A S T <4 S+ 0 0 31 -3,-1.3 -9,-0.2 -7,-0.2 -1,-0.2 0.393 88.3 110.0-130.1 2.3 17.2 25.0 15.5 32 63 A b S < S- 0 0 2 -4,-1.3 2,-1.1 -8,-0.1 5,-0.2 -0.419 85.2 -93.8 -74.7 155.7 19.8 25.1 12.7 33 64 A I S S+ 0 0 0 -11,-2.9 2,-0.3 -14,-0.1 -1,-0.1 -0.604 76.7 131.2 -76.4 101.8 20.1 28.5 10.8 34 65 A S S > S- 0 0 10 -2,-1.1 4,-1.4 -4,-0.1 3,-0.4 -0.906 73.6 -97.7-148.3 168.1 17.6 27.9 7.9 35 66 A E H > S+ 0 0 26 46,-2.6 4,-2.3 -2,-0.3 5,-0.2 0.831 119.7 59.3 -62.9 -31.9 14.7 29.4 6.0 36 67 A K H > S+ 0 0 105 45,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.882 100.5 54.9 -65.8 -38.6 12.3 27.3 8.1 37 68 A L H > S+ 0 0 3 -3,-0.4 4,-2.2 -5,-0.2 -1,-0.2 0.949 113.0 42.3 -56.4 -49.1 13.5 28.8 11.4 38 69 A F H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.863 111.7 53.1 -70.4 -37.6 12.8 32.3 10.1 39 70 A M H X S+ 0 0 61 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 111.1 47.7 -63.5 -41.5 9.5 31.5 8.5 40 71 A E H X S+ 0 0 51 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 112.2 49.0 -64.6 -45.6 8.3 30.0 11.8 41 72 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.913 108.9 53.6 -59.5 -42.3 9.5 33.0 13.7 42 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.900 108.1 50.2 -60.9 -42.1 7.7 35.4 11.3 43 74 A E H X S+ 0 0 91 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.921 112.8 46.4 -59.9 -46.1 4.4 33.5 11.8 44 75 A L H X S+ 0 0 38 -4,-2.1 4,-2.5 1,-0.2 6,-0.5 0.819 102.1 63.8 -69.3 -33.0 4.8 33.8 15.6 45 76 A M H <>S+ 0 0 0 -4,-2.5 6,-2.6 1,-0.2 5,-0.5 0.878 114.3 35.3 -58.0 -34.6 5.7 37.5 15.4 46 77 A V H ><5S+ 0 0 53 -4,-1.2 3,-0.9 -3,-0.4 -2,-0.2 0.929 121.5 43.0 -82.2 -50.7 2.2 38.0 14.0 47 78 A S H 3<5S+ 0 0 80 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.752 114.2 49.5 -73.1 -25.7 0.1 35.4 15.9 48 79 A E T 3<5S- 0 0 75 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 0.233 115.6-105.5-102.6 13.2 1.7 36.0 19.3 49 80 A G T <>5S+ 0 0 22 -3,-0.9 4,-1.7 -5,-0.1 6,-0.1 0.485 82.8 123.6 87.1 5.0 1.3 39.8 19.3 50 81 A W H >XS+ 0 0 2 -6,-0.5 5,-2.4 -5,-0.5 4,-0.9 0.905 76.7 47.3 -67.9 -43.8 5.0 40.8 18.7 51 82 A K H >45S+ 0 0 79 -6,-2.6 3,-0.7 3,-0.2 -1,-0.2 0.913 110.6 53.4 -60.4 -45.4 4.2 42.9 15.6 52 83 A D H 345S+ 0 0 139 -7,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 106.3 52.1 -58.0 -37.8 1.4 44.6 17.4 53 84 A A H 3<5S- 0 0 29 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.713 132.2 -93.8 -73.1 -20.6 3.7 45.6 20.3 54 85 A G T <<5S+ 0 0 27 -4,-0.9 2,-0.9 -3,-0.7 -43,-0.3 0.285 81.7 133.3 128.4 -5.1 6.1 47.1 17.7 55 86 A Y < + 0 0 0 -5,-2.4 -43,-0.3 1,-0.2 -1,-0.2 -0.637 19.2 147.9 -77.5 104.4 8.6 44.3 16.8 56 87 A E + 0 0 75 -45,-1.5 43,-3.0 -2,-0.9 2,-0.6 0.576 38.4 84.9-117.3 -16.3 8.6 44.5 13.0 57 88 A Y E -bc 12 99A 14 -46,-1.8 -44,-2.9 41,-0.2 2,-0.6 -0.837 51.7-166.9 -96.7 119.9 12.2 43.5 11.8 58 89 A L E -bc 13 100A 0 41,-3.3 43,-2.9 -2,-0.6 2,-0.4 -0.936 23.2-163.2-100.1 115.3 12.9 39.8 11.5 59 90 A C E -bc 14 101A 2 -46,-2.9 -44,-1.3 -2,-0.6 2,-0.5 -0.883 19.7-150.8-118.9 131.7 16.7 39.7 11.1 60 91 A I - 0 0 1 41,-2.4 77,-0.2 -2,-0.4 3,-0.1 -0.827 20.5-166.3 -95.8 126.1 19.1 37.1 9.9 61 92 A D - 0 0 5 -2,-0.5 42,-0.4 1,-0.3 3,-0.3 -0.037 42.5 -35.8 -93.9-157.9 22.5 37.3 11.5 62 93 A D S S+ 0 0 3 1,-0.2 -1,-0.3 40,-0.1 42,-0.0 -0.028 111.8 48.7 -60.7 164.3 25.8 35.5 10.4 63 94 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 -42,-0.1 -30,-0.1 0.746 72.2 108.2 72.9 29.8 25.9 32.0 8.9 64 95 A W + 0 0 0 -3,-0.3 14,-2.5 39,-0.1 18,-0.1 0.592 61.9 91.4 -95.4 -17.4 23.2 32.4 6.3 65 96 A M B S-I 77 0B 0 12,-0.2 12,-0.3 1,-0.1 4,-0.1 -0.346 76.9-118.9 -85.5 155.8 25.7 32.4 3.4 66 97 A A - 0 0 4 10,-2.8 10,-0.2 2,-0.2 12,-0.1 -0.523 39.3-107.1 -77.0 159.4 27.2 29.7 1.2 67 98 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.706 98.8 38.4 -65.1 -20.9 31.0 29.4 1.5 68 99 A Q S S- 0 0 143 46,-0.1 8,-0.3 47,-0.1 -2,-0.2 -0.904 82.3-112.7-128.7 155.6 31.6 31.0 -1.9 69 100 A R - 0 0 39 -2,-0.3 6,-0.2 6,-0.1 4,-0.0 -0.500 43.5-105.0 -75.7 156.3 30.2 33.8 -4.1 70 101 A D > - 0 0 37 4,-2.8 3,-2.4 -2,-0.2 -1,-0.1 -0.161 40.3 -88.8 -76.2 177.5 28.4 32.8 -7.3 71 102 A S T 3 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.688 129.2 57.4 -67.9 -18.4 29.9 33.1 -10.8 72 103 A E T 3 S- 0 0 129 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.211 122.0-107.9 -89.8 14.0 28.5 36.7 -11.0 73 104 A G S < S+ 0 0 17 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.703 74.4 138.4 70.9 21.0 30.4 37.6 -7.8 74 105 A R - 0 0 109 1,-0.1 -4,-2.8 53,-0.0 -1,-0.2 -0.754 59.0-110.1 -99.3 146.3 27.3 37.7 -5.6 75 106 A L - 0 0 3 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.1 -0.400 38.5-156.5 -59.6 144.7 26.7 36.4 -2.1 76 107 A Q - 0 0 72 -8,-0.3 -10,-2.8 -10,-0.2 2,-0.1 -0.980 16.6-116.2-130.3 145.3 24.4 33.4 -2.1 77 108 A A B -I 65 0B 15 -2,-0.4 -12,-0.2 -12,-0.3 -13,-0.1 -0.453 53.8 -84.9 -67.8 148.8 22.2 31.9 0.6 78 109 A D > - 0 0 17 -14,-2.5 4,-2.9 1,-0.1 7,-0.2 -0.403 38.1-140.8 -60.0 126.5 23.3 28.4 1.7 79 110 A P T 4 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.830 97.1 41.6 -63.8 -33.5 21.6 26.1 -0.9 80 111 A Q T 4 S+ 0 0 155 2,-0.1 -2,-0.1 1,-0.1 -46,-0.0 0.851 123.4 36.2 -80.4 -36.5 20.7 23.4 1.6 81 112 A R T 4 S+ 0 0 16 1,-0.2 -46,-2.6 -17,-0.1 -45,-0.4 0.808 132.1 28.1 -90.2 -30.5 19.5 25.6 4.5 82 113 A F S >< S+ 0 0 4 -4,-2.9 3,-1.7 -48,-0.2 -1,-0.2 -0.545 72.0 158.2-122.8 65.2 17.9 28.3 2.3 83 114 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.831 76.5 48.5 -60.8 -32.9 16.9 26.3 -0.8 84 115 A H T 3> S- 0 0 110 1,-0.2 4,-0.6 -3,-0.1 5,-0.1 0.426 111.4-129.1 -86.8 -1.3 14.2 28.8 -1.8 85 116 A G H <> - 0 0 23 -3,-1.7 4,-1.3 -7,-0.2 -1,-0.2 0.204 23.8 -74.1 76.7 166.1 16.6 31.8 -1.4 86 117 A I H > S+ 0 0 2 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.839 121.8 61.4 -70.0 -36.3 16.4 35.1 0.4 87 118 A R H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 106.5 45.8 -57.5 -47.4 14.0 36.8 -2.1 88 119 A Q H X S+ 0 0 116 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.834 113.6 49.3 -67.2 -34.7 11.3 34.3 -1.4 89 120 A L H X S+ 0 0 5 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.926 110.9 50.8 -65.8 -45.2 11.9 34.6 2.4 90 121 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.912 111.0 48.4 -58.5 -43.2 11.7 38.4 2.1 91 122 A N H X S+ 0 0 88 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.893 111.6 49.5 -63.8 -40.8 8.4 38.1 0.2 92 123 A Y H X S+ 0 0 52 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.944 113.1 46.7 -62.9 -47.1 7.1 35.7 2.8 93 124 A V H ><>S+ 0 0 0 -4,-3.0 5,-1.9 1,-0.2 3,-1.2 0.944 112.5 49.6 -60.3 -48.3 8.1 38.1 5.6 94 125 A H H ><5S+ 0 0 63 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.824 103.2 61.3 -59.5 -34.3 6.7 41.1 3.8 95 126 A S H 3<5S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.729 102.3 52.4 -66.7 -22.5 3.4 39.2 3.3 96 127 A K T <<5S- 0 0 60 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.419 124.4-104.7 -88.6 -1.6 3.0 39.1 7.1 97 128 A G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.657 83.6 121.5 85.6 18.6 3.5 42.9 7.4 98 129 A L < - 0 0 4 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.3 -0.546 57.6-126.2-108.9 171.7 7.1 42.5 8.6 99 130 A K E -c 57 0A 75 -43,-3.0 -41,-3.3 -2,-0.2 2,-0.4 -0.907 20.2-129.6-120.1 150.0 10.5 43.7 7.4 100 131 A L E -c 58 0A 0 32,-0.4 34,-3.0 -2,-0.3 35,-1.2 -0.860 17.1-166.3-107.3 132.7 13.6 41.5 6.8 101 132 A G E -cd 59 135A 0 -43,-2.9 -41,-2.4 -2,-0.4 2,-0.3 -0.829 7.4-175.4-109.7 153.0 17.1 42.1 8.1 102 133 A I E - d 0 136A 2 33,-1.8 35,-2.6 -2,-0.3 2,-0.3 -0.906 16.4-124.6-142.9 167.8 20.3 40.5 6.9 103 134 A Y E + d 0 137A 1 -42,-0.4 2,-0.3 -2,-0.3 35,-0.2 -0.896 29.1 155.4-121.9 144.8 24.0 40.4 7.9 104 135 A A E - d 0 138A 0 33,-2.3 35,-2.7 -2,-0.3 2,-0.4 -0.919 30.0-122.1-153.5 178.2 27.2 41.1 6.1 105 136 A D E - d 0 139A 0 -2,-0.3 12,-3.0 33,-0.3 13,-0.3 -0.988 8.1-140.8-137.3 139.0 30.7 42.2 7.0 106 137 A V S S+ 0 0 0 33,-2.9 34,-0.1 -2,-0.4 15,-0.1 0.662 85.3 59.4 -69.9 -19.8 32.9 45.2 5.9 107 138 A G S S- 0 0 1 34,-0.6 11,-2.2 2,-0.3 36,-0.2 -0.014 108.6 -74.5 -97.2-158.3 36.1 43.0 5.7 108 139 A N S S+ 0 0 100 34,-2.4 8,-2.4 9,-0.2 2,-0.3 0.730 110.6 16.2 -75.3 -25.0 37.2 40.0 3.8 109 140 A K B S-J 115 0C 88 32,-0.3 -2,-0.3 6,-0.3 8,-0.1 -0.971 79.2-105.7-144.8 156.9 35.1 37.5 5.9 110 141 A T > - 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0 0 0 4,-2.4 3,-1.8 -2,-0.3 6,-0.1 -0.357 47.5-101.0 -71.9 164.6 31.6 37.9 65.6 502 142 B h T 3 S+ 0 0 47 1,-0.3 -1,-0.1 2,-0.1 31,-0.1 0.841 127.0 52.3 -61.9 -30.5 32.1 38.9 61.9 503 143 B A T 3 S- 0 0 44 1,-0.0 -1,-0.3 0, 0.0 -91,-0.0 0.499 127.0-101.1 -81.5 -4.9 29.3 41.5 62.3 504 144 B G S < S+ 0 0 35 -3,-1.8 -2,-0.1 1,-0.3 3,-0.1 0.472 77.8 128.9 104.6 4.8 31.1 42.9 65.4 505 145 B F S S- 0 0 29 1,-0.2 -4,-2.4 -5,-0.0 -1,-0.3 -0.231 71.9 -53.6 -83.2 176.7 29.1 41.4 68.4 506 146 B P B -A 500 0I 20 0, 0.0 -6,-0.3 0, 0.0 -10,-0.2 -0.300 54.8-147.1 -62.3 131.1 30.8 39.6 71.3 507 147 B G - 0 0 5 -8,-2.3 -10,-0.2 -12,-0.1 -8,-0.2 -0.416 16.2-124.6 -87.6 167.3 33.1 36.7 70.5 508 148 B S > + 0 0 0 -12,-3.0 3,-2.9 -10,-0.2 4,-0.2 0.423 63.4 128.9 -95.9 -1.0 33.6 33.6 72.6 509 149 B F T 3 S+ 0 0 81 -11,-2.3 -11,-0.1 1,-0.3 -2,-0.1 -0.372 84.9 13.8 -56.8 128.4 37.4 33.8 72.9 510 150 B G T 3 S+ 0 0 60 -2,-0.1 -1,-0.3 33,-0.0 4,-0.1 0.381 124.9 67.0 81.1 -0.7 38.1 33.5 76.7 511 151 B Y <> + 0 0 92 -3,-2.9 4,-3.2 2,-0.1 5,-0.3 0.086 55.1 124.7-136.1 24.2 34.5 32.3 77.2 512 152 B Y H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 80.1 41.2 -60.2 -50.8 34.4 28.9 75.5 513 153 B D H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 117.1 49.3 -62.8 -45.3 33.2 26.8 78.5 514 154 B I H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 114.1 45.1 -60.1 -45.0 30.7 29.5 79.6 515 155 B D H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.913 112.4 50.8 -68.4 -41.8 29.3 29.9 76.1 516 156 B A H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.928 113.1 47.2 -58.5 -43.6 29.0 26.1 75.6 517 157 B Q H X S+ 0 0 117 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.890 110.1 51.8 -66.2 -41.7 27.2 25.8 78.9 518 158 B T H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.953 111.9 47.0 -58.7 -49.7 24.9 28.7 78.1 519 159 B F H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-1.1 0.922 112.8 48.2 -61.3 -46.4 23.9 27.1 74.8 520 160 B A H ><5S+ 0 0 17 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.922 111.1 51.6 -57.7 -45.1 23.4 23.6 76.3 521 161 B D H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.903 108.7 51.4 -60.5 -41.9 21.2 25.2 79.1 522 162 B W H 3<5S- 0 0 33 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.699 117.7-110.9 -68.1 -22.1 19.1 27.0 76.5 523 163 B G T <<5 + 0 0 8 -4,-1.1 -32,-0.4 -3,-0.7 -3,-0.2 0.656 53.8 170.1 94.7 20.1 18.4 23.8 74.5 524 164 B V < - 0 0 0 -5,-2.2 -1,-0.2 -6,-0.2 -32,-0.2 -0.371 17.6-170.5 -61.2 140.5 20.5 24.7 71.4 525 165 B D + 0 0 11 -34,-3.2 34,-2.7 1,-0.3 2,-0.3 0.500 66.8 29.8-112.6 -10.8 20.9 21.7 69.0 526 166 B L E -uv 492 559G 4 -35,-1.2 -33,-2.0 32,-0.3 2,-0.5 -0.985 60.0-160.2-150.5 140.2 23.5 23.1 66.6 527 167 B L E -uv 493 560G 0 32,-3.2 34,-3.2 -2,-0.3 2,-0.5 -0.988 4.4-160.1-124.3 125.9 26.3 25.6 66.8 528 168 B K E -uv 494 561G 19 -35,-2.5 -33,-2.3 -2,-0.5 2,-0.6 -0.920 17.5-162.4 -97.7 125.1 27.8 27.4 63.8 529 169 B F E -uv 495 562G 0 32,-3.2 34,-0.7 -2,-0.5 -33,-0.3 -0.911 3.5-159.7-124.9 109.4 31.2 28.6 65.0 530 170 B D E -u 496 0G 10 -35,-2.7 -33,-2.9 -2,-0.6 -32,-0.3 -0.296 15.5-138.9 -93.0 167.0 32.9 31.3 62.9 531 171 B G > + 0 0 3 -35,-0.2 3,-0.5 -34,-0.1 -35,-0.1 0.217 50.1 131.3-115.8 14.3 36.6 32.3 62.7 532 172 B h T 3 + 0 0 23 1,-0.2 -34,-0.5 -34,-0.1 -32,-0.3 -0.220 67.2 16.8 -68.7 158.1 36.6 36.2 62.6 533 173 B Y T 3 S+ 0 0 119 1,-0.2 -34,-2.3 -35,-0.2 2,-0.5 0.828 81.6 134.6 47.6 43.5 38.8 38.4 64.8 534 174 B C < - 0 0 25 -3,-0.5 -1,-0.2 -36,-0.2 6,-0.1 -0.960 40.2-162.7-118.0 106.7 41.2 35.6 65.8 535 175 B D + 0 0 140 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 0.864 65.0 42.8 -56.2 -46.7 44.7 37.0 65.4 536 176 B S > - 0 0 36 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.767 68.4-134.8-115.4 149.3 46.8 33.8 65.3 537 177 B L H > S+ 0 0 53 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.830 108.4 53.1 -68.8 -34.5 46.4 30.4 63.6 538 178 B E H > S+ 0 0 142 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.870 109.8 48.4 -71.8 -34.5 47.3 28.5 66.8 539 179 B N H > S+ 0 0 45 2,-0.2 4,-2.2 3,-0.2 -2,-0.2 0.852 110.5 54.4 -65.3 -36.2 44.6 30.4 68.7 540 180 B L H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.975 113.4 38.8 -58.9 -56.8 42.2 29.5 65.9 541 181 B A H X S+ 0 0 16 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.919 117.2 49.5 -62.6 -47.6 42.9 25.8 66.1 542 182 B D H X S+ 0 0 86 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.888 111.3 51.2 -59.1 -42.0 43.0 25.7 69.9 543 183 B G H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.922 110.5 46.8 -60.8 -47.2 39.7 27.7 70.0 544 184 B Y H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.896 116.6 45.1 -64.5 -40.7 37.9 25.3 67.7 545 185 B K H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.919 112.5 51.1 -64.5 -47.4 39.2 22.3 69.6 546 186 B H H X S+ 0 0 74 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.931 111.0 47.3 -59.3 -49.3 38.4 23.8 73.0 547 187 B M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.894 110.4 53.3 -61.2 -40.2 34.8 24.7 72.0 548 188 B S H X S+ 0 0 7 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.928 112.9 43.4 -59.0 -47.0 34.3 21.1 70.6 549 189 B L H X S+ 0 0 84 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.890 113.1 52.7 -65.2 -39.5 35.5 19.6 73.9 550 190 B A H X S+ 0 0 3 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.886 108.5 49.3 -65.1 -42.1 33.3 22.1 75.9 551 191 B L H >< S+ 0 0 7 -4,-2.7 3,-0.8 1,-0.2 5,-0.5 0.917 110.8 51.9 -60.6 -43.7 30.2 21.3 73.9 552 192 B N H >< S+ 0 0 111 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.917 103.3 57.7 -58.7 -45.2 30.9 17.6 74.5 553 193 B R H 3< S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.670 93.7 67.5 -62.9 -20.5 31.3 18.2 78.3 554 194 B T T << S- 0 0 35 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.695 99.9-134.7 -69.6 -21.1 27.8 19.6 78.6 555 195 B G < + 0 0 68 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.1 0.391 64.5 125.0 79.4 -5.0 26.4 16.2 77.7 556 196 B R - 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0 0 117 -4,-2.3 -1,-0.2 -7,-0.1 -4,-0.0 -1.000 68.9-108.2-150.8 145.0 48.4 27.0 56.4 573 213 B K - 0 0 163 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.0 -0.566 45.9-122.4 -68.0 116.8 47.3 23.8 54.7 574 214 B P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.366 10.6-139.1 -64.7 140.5 44.3 22.5 56.7 575 215 B N > - 0 0 86 1,-0.1 4,-2.5 -2,-0.1 3,-0.2 -0.862 16.4-171.5 -97.6 103.6 44.6 19.0 58.1 576 216 B Y H > S+ 0 0 14 -2,-0.8 4,-3.1 1,-0.2 5,-0.2 0.752 81.9 62.6 -72.3 -24.0 41.1 17.6 57.5 577 217 B T H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.947 110.1 41.5 -61.0 -47.6 41.9 14.5 59.6 578 218 B E H > S+ 0 0 68 -3,-0.2 4,-0.9 2,-0.2 3,-0.3 0.944 115.8 49.1 -64.0 -47.6 42.3 16.8 62.6 579 219 B I H >X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 3,-1.0 0.911 108.4 53.6 -59.6 -44.8 39.3 19.0 61.6 580 220 B R H 3< S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 101.5 60.7 -59.1 -34.5 37.0 15.9 61.1 581 221 B Q H 3< S+ 0 0 117 -4,-1.3 -188,-0.5 -3,-0.3 -1,-0.2 0.816 118.0 28.2 -62.0 -30.7 37.9 14.7 64.7 582 222 B Y H << S+ 0 0 39 -3,-1.0 2,-0.3 -4,-0.9 -2,-0.2 0.616 116.1 57.3-109.0 -15.6 36.5 17.9 66.2 583 223 B i < - 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