==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 23-MAY-11 3S5Y . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.I.GUCE,N.E.CLARK,S.C.GARMAN . 781 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 68.5 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 . 106 13.6 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 . 51 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 1 1 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 2 4 6 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 28 0, 0.0 2,-1.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.1 57.5 9.2 21.9 2 33 A D + 0 0 152 188,-0.5 227,-0.1 1,-0.2 228,-0.0 -0.402 360.0 114.2 -91.0 60.5 59.7 7.4 19.3 3 34 A N S S- 0 0 38 -2,-1.6 -1,-0.2 2,-0.2 3,-0.1 0.280 89.0-108.8-108.4 7.5 57.0 5.4 17.6 4 35 A G S S+ 0 0 48 -3,-0.3 3,-0.3 1,-0.3 2,-0.2 0.479 84.4 114.2 76.9 3.4 57.3 7.2 14.2 5 36 A L + 0 0 30 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 -0.602 62.5 26.0-103.4 166.1 53.9 9.0 14.7 6 37 A A + 0 0 12 -2,-0.2 223,-3.0 1,-0.1 224,-0.2 0.869 61.3 156.6 49.5 46.3 53.1 12.7 15.2 7 38 A R S S+ 0 0 119 -3,-0.3 -1,-0.1 221,-0.3 223,-0.1 0.710 81.4 25.2 -71.8 -20.7 56.3 13.8 13.3 8 39 A T S S- 0 0 46 220,-0.1 282,-0.1 219,-0.1 3,-0.1 -0.900 121.6 -72.0-125.2 163.0 54.2 16.9 12.8 9 40 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 252,-0.1 -0.255 57.4-106.2 -59.4 141.5 51.4 17.9 15.2 10 41 A T - 0 0 8 -4,-0.1 253,-2.5 252,-0.0 2,-0.4 -0.423 33.9-159.1 -70.1 139.6 48.3 15.6 15.0 11 42 A M E +a 263 0A 8 43,-0.3 46,-1.9 251,-0.2 45,-1.4 -0.944 33.7 97.8-121.4 141.6 45.2 17.1 13.3 12 43 A G E -ab 264 57A 0 251,-2.7 253,-2.6 -2,-0.4 2,-0.4 -0.945 62.7 -71.5 178.0-157.8 41.7 15.9 13.7 13 44 A W E -ab 265 58A 0 44,-2.5 46,-2.9 -2,-0.3 2,-0.4 -0.980 31.5-170.5-130.1 140.2 38.3 16.4 15.4 14 45 A L E - b 0 59A 11 251,-3.2 4,-0.3 -2,-0.4 3,-0.2 -0.999 16.4-146.3-134.9 136.7 37.4 15.6 19.0 15 46 A H S >>S+ 0 0 0 44,-1.2 4,-2.8 -2,-0.4 5,-0.8 0.682 70.9 91.3 -77.5 -18.4 33.9 15.6 20.3 16 47 A W H >5S+ 0 0 39 1,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.844 82.7 41.5 -59.2 -59.2 34.4 16.8 23.9 17 48 A E H 45S+ 0 0 0 1,-0.2 703,-1.7 -3,-0.2 -1,-0.2 0.904 126.0 33.0 -57.9 -46.3 34.1 20.6 24.0 18 49 A R H 45S+ 0 0 20 -4,-0.3 -1,-0.2 701,-0.1 -2,-0.2 0.826 136.7 21.1 -79.3 -35.7 31.1 20.9 21.7 19 50 A F H ><5S+ 0 0 8 -4,-2.8 3,-1.0 701,-0.2 -3,-0.2 0.689 82.0 168.9-112.9 -25.8 29.3 17.6 22.5 20 51 A M T 3<< - 0 0 44 -4,-2.2 41,-0.1 -5,-0.8 -1,-0.1 -0.140 65.1 -24.7 55.2-134.2 30.6 16.7 26.0 21 52 A a T 3 S+ 0 0 46 11,-0.0 2,-0.8 -5,-0.0 -1,-0.2 -0.349 77.5 158.0-113.4 51.2 28.7 13.9 27.8 22 53 A N < + 0 0 33 -3,-1.0 11,-2.9 9,-0.2 -2,-0.0 -0.658 6.2 162.3 -80.0 110.5 25.3 14.1 26.2 23 54 A L + 0 0 76 -2,-0.8 2,-2.1 9,-0.2 3,-0.2 0.356 40.2 110.2-107.7 3.0 23.6 10.7 26.7 24 55 A D > + 0 0 56 1,-0.2 4,-2.4 2,-0.1 7,-0.2 -0.475 29.2 152.9 -85.0 71.5 20.0 11.9 26.0 25 56 A b T 4 + 0 0 39 -2,-2.1 -1,-0.2 2,-0.2 7,-0.1 0.707 65.3 64.7 -75.7 -17.5 19.6 10.1 22.7 26 57 A Q T 4 S+ 0 0 184 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.972 119.6 19.3 -66.3 -54.1 15.8 10.0 23.2 27 58 A E T 4 S+ 0 0 111 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.735 138.4 33.8 -89.8 -27.7 15.3 13.8 23.1 28 59 A E >X + 0 0 35 -4,-2.4 4,-1.4 1,-0.1 3,-1.0 -0.501 65.6 156.9-128.3 65.0 18.6 14.8 21.3 29 60 A P T 34 S+ 0 0 66 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 0.777 75.4 48.7 -63.0 -29.8 19.4 11.9 18.9 30 61 A D T 34 S+ 0 0 94 1,-0.2 4,-0.1 6,-0.1 -5,-0.1 0.621 118.5 38.1 -85.9 -13.6 21.6 14.1 16.6 31 62 A S T <4 S+ 0 0 33 -3,-1.0 -9,-0.2 -7,-0.2 -1,-0.2 0.482 91.4 101.5-115.2 -8.5 23.7 15.6 19.4 32 63 A b S < S- 0 0 1 -4,-1.4 2,-1.1 -8,-0.1 5,-0.3 -0.373 88.5 -93.4 -79.5 159.7 24.1 12.7 21.8 33 64 A I S S+ 0 0 0 -11,-2.9 2,-0.3 -14,-0.1 -1,-0.1 -0.611 76.2 129.7 -78.5 100.8 27.4 10.7 21.9 34 65 A S S > S- 0 0 11 -2,-1.1 4,-1.5 -4,-0.1 48,-0.2 -0.901 75.0 -98.9-145.6 169.5 26.6 7.9 19.5 35 66 A E H > S+ 0 0 22 46,-2.6 4,-2.3 -2,-0.3 5,-0.2 0.788 119.9 62.2 -63.4 -27.6 27.9 6.0 16.5 36 67 A K H > S+ 0 0 131 45,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.943 101.4 50.2 -62.4 -48.1 25.6 8.2 14.4 37 68 A L H > S+ 0 0 2 -5,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.925 113.8 44.2 -56.6 -48.4 27.4 11.3 15.4 38 69 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.858 112.2 52.2 -71.4 -34.4 30.8 10.0 14.6 39 70 A M H X S+ 0 0 59 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.903 110.8 48.5 -64.3 -44.0 29.6 8.5 11.3 40 71 A E H X S+ 0 0 49 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.925 111.4 49.0 -61.8 -46.5 28.2 11.8 10.3 41 72 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.900 109.6 53.5 -61.0 -39.9 31.4 13.7 11.2 42 73 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.927 108.0 49.4 -58.9 -49.2 33.4 11.2 9.2 43 74 A E H X S+ 0 0 89 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.905 113.9 45.8 -55.7 -45.2 31.3 11.7 6.1 44 75 A L H X S+ 0 0 34 -4,-2.1 4,-2.4 1,-0.2 6,-0.6 0.806 102.8 63.5 -72.4 -30.8 31.7 15.5 6.4 45 76 A M H < S+ 0 0 0 -4,-2.2 6,-3.2 -5,-0.2 7,-0.4 0.868 113.8 35.7 -61.8 -33.8 35.4 15.3 7.1 46 77 A V H >< S+ 0 0 58 -4,-1.3 3,-0.9 -3,-0.3 6,-0.2 0.942 122.1 42.2 -80.0 -52.6 35.8 13.8 3.6 47 78 A S H 3< S+ 0 0 75 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.804 114.1 48.1 -71.9 -32.2 33.1 15.8 1.7 48 79 A E T 3< S- 0 0 79 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.1 0.251 116.3-101.7 -98.6 13.7 33.7 19.3 3.1 49 80 A G S <> S+ 0 0 17 -3,-0.9 4,-1.9 -5,-0.1 6,-0.2 0.416 85.6 121.2 92.2 -0.7 37.5 19.4 2.6 50 81 A W H >>S+ 0 0 2 -6,-0.6 5,-2.3 1,-0.2 4,-0.8 0.936 78.0 47.2 -65.1 -46.6 38.6 18.7 6.2 51 82 A K H >45S+ 0 0 69 -6,-3.2 3,-0.9 1,-0.2 -1,-0.2 0.905 111.4 52.3 -58.0 -43.9 40.6 15.5 5.3 52 83 A D H 345S+ 0 0 120 -7,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 104.9 55.3 -65.3 -31.3 42.2 17.4 2.4 53 84 A A H 3<5S- 0 0 21 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.669 130.7 -96.3 -73.0 -17.4 43.3 20.2 4.7 54 85 A G T <<5S+ 0 0 32 -3,-0.9 2,-1.1 -4,-0.8 -43,-0.3 0.336 78.7 139.2 120.2 -2.3 45.0 17.6 6.9 55 86 A Y < + 0 0 0 -5,-2.3 -43,-0.3 1,-0.2 -1,-0.2 -0.629 19.9 152.4 -78.4 102.0 42.4 16.8 9.6 56 87 A E + 0 0 46 -45,-1.4 43,-2.5 -2,-1.1 2,-0.6 0.705 38.0 75.4-109.5 -30.6 42.9 13.0 9.7 57 88 A Y E -bc 12 99A 30 -46,-1.9 -44,-2.5 41,-0.2 2,-0.7 -0.828 54.1-162.1-103.1 119.2 41.9 11.7 13.2 58 89 A L E -bc 13 100A 0 41,-3.2 43,-2.9 -2,-0.6 2,-0.5 -0.883 25.1-161.8 -98.0 112.0 38.3 11.4 14.2 59 90 A C E -bc 14 101A 2 -46,-2.9 -44,-1.2 -2,-0.7 2,-0.4 -0.870 19.3-152.1-113.9 130.6 38.5 11.1 17.9 60 91 A I - 0 0 1 41,-3.1 77,-0.3 -2,-0.5 3,-0.1 -0.788 20.0-169.3 -89.0 132.8 36.0 9.8 20.5 61 92 A D - 0 0 3 -2,-0.4 3,-0.4 1,-0.3 42,-0.4 -0.029 43.3 -31.0-101.6-150.4 36.4 11.4 24.0 62 93 A D S S+ 0 0 3 1,-0.2 -1,-0.3 40,-0.1 42,-0.0 -0.165 111.7 44.6 -68.2 159.3 34.7 10.4 27.3 63 94 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 -42,-0.1 -30,-0.1 0.600 72.5 109.4 83.6 20.0 31.2 8.8 27.6 64 95 A W + 0 0 0 -3,-0.4 14,-2.5 39,-0.1 17,-0.1 0.615 60.5 93.8 -89.0 -15.8 31.4 6.2 24.8 65 96 A M B S-I 77 0B 1 12,-0.3 12,-0.2 1,-0.1 4,-0.1 -0.359 77.3-115.1 -84.8 156.2 31.6 3.3 27.3 66 97 A A - 0 0 1 10,-2.7 10,-0.2 2,-0.2 12,-0.1 -0.449 40.5-105.1 -72.1 158.8 29.0 1.0 28.8 67 98 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.751 99.8 31.9 -60.9 -23.6 28.6 1.3 32.6 68 99 A Q S S- 0 0 109 46,-0.1 8,-0.2 47,-0.1 -2,-0.2 -0.939 82.0-108.8-136.5 154.0 30.5 -2.0 33.1 69 100 A R - 0 0 38 -2,-0.3 6,-0.2 6,-0.1 2,-0.1 -0.341 45.0-105.9 -68.4 158.6 33.2 -4.2 31.6 70 101 A D > - 0 0 38 4,-2.5 3,-2.5 1,-0.1 -1,-0.1 -0.244 40.5 -87.1 -81.0 179.0 32.1 -7.4 30.0 71 102 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.707 129.8 54.9 -63.6 -22.1 32.6 -10.9 31.5 72 103 A E T 3 S- 0 0 131 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.338 121.3-108.3 -90.5 5.7 36.1 -11.1 29.9 73 104 A G S < S+ 0 0 16 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.665 73.8 138.4 79.9 17.9 37.0 -7.8 31.7 74 105 A R - 0 0 114 1,-0.1 -4,-2.5 49,-0.1 -1,-0.3 -0.610 58.9-107.3 -93.9 152.9 37.0 -5.8 28.5 75 106 A L - 0 0 5 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.1 -0.504 37.6-155.0 -67.8 146.5 35.7 -2.3 28.0 76 107 A Q - 0 0 62 -8,-0.2 -10,-2.7 -10,-0.2 2,-0.1 -0.973 16.4-118.4-126.5 144.9 32.5 -2.2 25.9 77 108 A A B -I 65 0B 14 -2,-0.4 -12,-0.3 -12,-0.2 -13,-0.1 -0.495 54.4 -84.9 -68.6 147.3 30.9 0.5 23.8 78 109 A D > - 0 0 15 -14,-2.5 4,-2.9 1,-0.2 7,-0.2 -0.404 38.9-141.1 -56.7 126.5 27.6 1.5 25.1 79 110 A P T 4 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.792 96.9 42.3 -64.4 -30.3 25.1 -1.0 23.6 80 111 A Q T 4 S+ 0 0 157 2,-0.1 -2,-0.1 1,-0.1 -14,-0.0 0.823 123.5 35.7 -84.7 -32.7 22.3 1.5 22.9 81 112 A R T 4 S+ 0 0 18 1,-0.2 -46,-2.6 -17,-0.1 -45,-0.4 0.756 132.6 27.3 -94.3 -27.9 24.5 4.3 21.6 82 113 A F S >< S+ 0 0 3 -4,-2.9 3,-1.8 -48,-0.2 -1,-0.2 -0.469 71.0 157.2-126.7 61.4 27.1 2.2 19.7 83 114 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.690 75.9 50.6 -63.7 -19.5 25.1 -0.9 18.9 84 115 A H T 3> S- 0 0 123 1,-0.1 4,-0.7 -3,-0.1 5,-0.1 0.493 111.0-130.6 -94.9 -5.1 27.4 -1.9 16.0 85 116 A G H <> - 0 0 23 -3,-1.8 4,-1.4 -7,-0.2 3,-0.1 0.155 23.1 -75.1 81.3 166.6 30.5 -1.5 18.2 86 117 A I H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.837 123.1 62.8 -71.2 -33.6 33.8 0.3 17.9 87 118 A R H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 106.1 45.1 -59.4 -44.6 35.3 -2.3 15.4 88 119 A Q H X S+ 0 0 111 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.856 113.0 51.3 -66.8 -35.8 32.6 -1.4 12.8 89 120 A L H X S+ 0 0 5 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.929 109.7 49.6 -64.7 -45.1 33.1 2.3 13.5 90 121 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.866 111.0 49.9 -61.3 -39.0 36.8 1.9 13.0 91 122 A N H X S+ 0 0 80 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.921 111.5 48.1 -65.1 -45.7 36.2 0.1 9.7 92 123 A Y H X S+ 0 0 58 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.928 113.7 47.1 -58.3 -48.2 33.8 2.8 8.5 93 124 A V H ><>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-1.0 0.919 112.0 50.1 -62.4 -44.6 36.3 5.5 9.4 94 125 A H H ><5S+ 0 0 61 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.751 103.7 60.0 -65.6 -27.3 39.2 3.6 7.7 95 126 A S H 3<5S+ 0 0 87 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.677 102.6 53.1 -73.5 -19.7 37.1 3.2 4.6 96 127 A K T <<5S- 0 0 72 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.348 122.7-109.0 -90.3 3.3 37.0 7.0 4.4 97 128 A G T < 5S+ 0 0 35 -3,-1.0 -3,-0.2 1,-0.3 2,-0.2 0.663 82.4 121.0 75.8 17.1 40.8 7.1 4.6 98 129 A L < - 0 0 4 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.3 -0.480 58.0-123.6-103.7 176.2 40.6 8.6 8.1 99 130 A K E -c 57 0A 80 -43,-2.5 -41,-3.2 -2,-0.2 2,-0.5 -0.876 19.3-125.4-122.4 155.2 41.9 7.3 11.5 100 131 A L E -c 58 0A 0 32,-0.4 34,-3.0 -2,-0.3 35,-1.4 -0.875 17.9-166.4-110.2 132.4 40.0 6.6 14.7 101 132 A G E -cd 59 135A 0 -43,-2.9 -41,-3.1 -2,-0.5 2,-0.3 -0.881 8.5-176.1-112.4 145.2 40.8 8.0 18.1 102 133 A I E - d 0 136A 1 33,-2.6 35,-3.0 -2,-0.4 2,-0.4 -0.859 15.7-127.2-136.8 170.5 39.4 6.8 21.4 103 134 A Y E + d 0 137A 0 -42,-0.4 2,-0.3 -2,-0.3 35,-0.2 -0.932 27.1 157.1-125.8 141.0 39.5 7.7 25.1 104 135 A A E - d 0 138A 0 33,-2.3 35,-2.9 -2,-0.4 2,-0.4 -0.916 30.6-121.5-147.9 176.4 40.3 6.0 28.4 105 136 A D E - d 0 139A 0 -2,-0.3 12,-3.0 10,-0.3 13,-0.3 -0.979 8.4-139.7-130.6 137.4 41.5 7.0 31.9 106 137 A V S S+ 0 0 0 33,-3.1 34,-0.1 -2,-0.4 4,-0.1 0.709 85.1 57.8 -64.3 -23.1 44.6 6.0 33.8 107 138 A G S S- 0 0 2 34,-0.6 11,-2.7 2,-0.4 36,-0.2 0.160 107.5 -74.7 -93.9-152.6 42.7 5.6 37.1 108 139 A N S S+ 0 0 94 34,-1.8 8,-2.3 9,-0.2 2,-0.3 0.741 111.6 16.3 -82.4 -29.9 39.7 3.7 38.4 109 140 A K B S-J 115 0C 109 32,-0.3 -2,-0.4 6,-0.3 8,-0.1 -0.948 81.9-106.5-136.8 159.2 37.1 5.7 36.6 110 141 A T > - 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0 0 5 -2,-0.4 4,-2.4 389,-0.3 391,-0.2 -0.297 38.3 -99.0 -67.9 166.5 34.3 36.7 18.2 246 277 A W H > S+ 0 0 82 389,-0.3 4,-2.1 1,-0.2 5,-0.1 0.892 126.1 48.9 -54.7 -44.7 35.8 36.5 14.7 247 278 A N H > S+ 0 0 14 386,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.854 110.3 51.1 -64.8 -36.2 39.0 38.2 15.9 248 279 A Q H > S+ 0 0 2 385,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.862 108.4 52.2 -70.5 -36.0 39.2 35.9 18.8 249 280 A Q H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 108.9 49.9 -63.2 -43.5 38.8 32.9 16.5 250 281 A V H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.883 107.8 55.2 -62.0 -40.6 41.7 34.2 14.3 251 282 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 128,-0.3 5,-0.3 0.923 108.0 47.4 -58.5 -47.2 43.9 34.6 17.4 252 283 A Q H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.948 113.7 47.4 -62.4 -47.1 43.4 31.0 18.4 253 284 A M H X S+ 0 0 3 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.933 115.2 45.8 -58.9 -48.0 44.2 29.7 14.9 254 285 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.923 116.8 43.2 -60.9 -47.0 47.3 31.9 14.6 255 286 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.874 108.4 56.6 -75.6 -33.7 48.6 31.1 18.1 256 287 A W H <>S+ 0 0 0 -4,-2.9 5,-2.2 -5,-0.3 -1,-0.2 0.826 109.9 48.9 -62.5 -28.6 47.9 27.3 17.8 257 288 A A H ><5S+ 0 0 2 -4,-1.3 3,-1.2 -5,-0.2 -2,-0.2 0.907 110.9 48.8 -73.3 -44.3 50.1 27.4 14.7 258 289 A I H 3<5S+ 0 0 0 -4,-1.9 39,-2.2 1,-0.2 -2,-0.2 0.882 110.6 52.0 -59.2 -40.8 52.9 29.3 16.4 259 290 A M T 3<5S- 0 0 2 -4,-2.6 -27,-0.3 37,-0.2 -1,-0.2 0.376 107.2-122.1 -82.4 5.7 52.8 26.9 19.4 260 291 A A T < 5 + 0 0 0 -3,-1.2 -28,-0.2 1,-0.2 -3,-0.2 0.925 52.8 174.7 48.9 47.4 53.1 23.7 17.2 261 292 A A < - 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