==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-FEB-12 4DO4 . COMPND 2 MOLECULE: ALPHA-N-ACETYLGALACTOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.E.CLARK,S.C.GARMAN . 787 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 57 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 1 0 6 0 0 3 1 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 . 4 0 2 4 2 3 3 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 . 4 0 0 0 2 0 2 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 18 A L 0 0 33 0, 0.0 2,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.2 56.8 15.2 12.2 2 19 A D + 0 0 163 188,-0.5 188,-0.1 1,-0.2 227,-0.0 -0.299 360.0 112.5 -85.6 55.8 57.0 18.2 9.9 3 20 A N S S- 0 0 39 -2,-1.9 -1,-0.2 2,-0.2 3,-0.1 0.233 89.2-109.7-109.9 11.1 58.9 16.5 7.1 4 21 A G S S+ 0 0 55 -3,-0.3 3,-0.4 1,-0.3 2,-0.2 0.358 79.7 122.8 78.7 -4.5 56.1 16.5 4.5 5 22 A L + 0 0 27 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 -0.577 60.7 14.2 -96.0 153.8 55.7 12.8 4.7 6 23 A L + 0 0 19 -2,-0.2 223,-2.5 1,-0.1 -1,-0.2 0.882 57.1 163.4 54.8 49.3 52.6 10.6 5.5 7 24 A Q S S+ 0 0 99 -3,-0.4 -1,-0.1 221,-0.3 223,-0.1 0.668 80.5 33.7 -67.2 -16.8 50.0 13.3 5.2 8 25 A T S S- 0 0 42 220,-0.1 282,-0.1 221,-0.1 3,-0.1 -0.897 118.1 -75.9-124.0 163.6 47.8 10.2 5.0 9 26 A P - 0 0 2 0, 0.0 -2,-0.1 0, 0.0 252,-0.1 -0.267 56.3-101.0 -60.7 145.8 48.5 7.0 6.9 10 27 A P - 0 0 2 0, 0.0 253,-2.4 0, 0.0 2,-0.4 -0.381 35.4-161.5 -66.6 138.4 51.2 4.8 5.5 11 28 A M E +a 263 0A 4 43,-0.3 46,-1.9 251,-0.2 45,-1.7 -0.987 37.8 85.2-117.0 137.9 50.1 1.8 3.4 12 29 A G E -ab 264 57A 0 251,-2.4 253,-2.8 -2,-0.4 2,-0.4 -0.946 68.3 -62.9 173.1-147.9 52.4 -1.2 2.7 13 30 A W E -ab 265 58A 0 44,-2.4 46,-3.2 -2,-0.3 2,-0.4 -0.987 31.4-167.2-139.8 139.5 53.7 -4.5 3.8 14 31 A L E - b 0 59A 9 251,-2.9 4,-0.4 -2,-0.4 3,-0.3 -0.994 16.9-142.3-135.1 134.7 55.9 -5.3 6.9 15 32 A A S >>S+ 0 0 1 44,-2.0 4,-2.2 -2,-0.4 5,-0.6 0.723 77.4 80.4 -69.2 -26.5 57.7 -8.6 7.4 16 33 A W H >5S+ 0 0 37 3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 83.0 48.7 -66.4 -52.1 57.3 -9.1 11.1 17 34 A E H 45S+ 0 0 0 -3,-0.3 -1,-0.2 1,-0.2 186,-0.1 0.926 124.8 27.9 -58.9 -44.9 53.9 -10.5 12.0 18 35 A R H 45S+ 0 0 26 -4,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.803 134.4 28.0 -84.1 -37.4 53.9 -13.3 9.4 19 36 A F H ><5S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.1 -3,-0.2 0.642 80.3 171.5-107.8 -15.5 57.7 -14.0 8.9 20 37 A R T 3<< - 0 0 24 -4,-2.1 -1,-0.1 -5,-0.6 41,-0.1 -0.077 64.9 -27.6 50.9-132.7 59.1 -13.1 12.3 21 38 A a T 3 S+ 0 0 27 11,-0.0 2,-0.9 -5,-0.0 -1,-0.2 -0.230 81.3 150.7-113.0 43.0 62.8 -14.0 13.0 22 39 A N < + 0 0 26 -3,-1.5 11,-3.1 9,-0.2 -3,-0.0 -0.644 4.9 158.5 -78.4 108.4 63.0 -17.0 10.7 23 40 A I + 0 0 75 -2,-0.9 2,-1.7 9,-0.2 3,-0.2 0.219 33.7 114.3-115.0 13.8 66.6 -17.0 9.6 24 41 A N > + 0 0 62 1,-0.2 4,-2.4 4,-0.1 7,-0.2 -0.577 26.8 155.9 -89.1 76.5 66.8 -20.7 8.6 25 42 A b T 4 + 0 0 35 -2,-1.7 -1,-0.2 1,-0.2 7,-0.1 0.781 67.2 62.6 -76.1 -24.0 67.4 -20.3 4.9 26 43 A D T 4 S+ 0 0 159 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.913 120.4 22.7 -63.0 -43.2 69.0 -23.7 4.6 27 44 A E T 4 S+ 0 0 120 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.717 138.3 29.4 -95.9 -23.9 65.8 -25.5 5.7 28 45 A D >X + 0 0 20 -4,-2.4 3,-1.3 1,-0.1 4,-1.2 -0.440 64.6 158.1-138.2 60.3 63.2 -22.9 4.8 29 46 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.741 72.9 55.8 -59.6 -29.0 64.5 -20.8 1.8 30 47 A K T 34 S+ 0 0 132 1,-0.2 4,-0.1 6,-0.0 -5,-0.1 0.695 118.4 29.3 -80.0 -18.5 61.0 -19.6 0.7 31 48 A N T <4 S+ 0 0 37 -3,-1.3 -9,-0.2 -7,-0.2 -1,-0.2 0.398 90.0 110.0-124.2 -0.9 60.1 -18.0 4.1 32 49 A b S < S- 0 0 1 -4,-1.2 2,-0.7 -8,-0.1 5,-0.3 -0.397 82.9 -93.2 -76.7 157.3 63.3 -16.9 5.8 33 50 A I S S+ 0 0 2 -11,-3.1 2,-0.3 -14,-0.2 -1,-0.1 -0.612 77.4 127.4 -70.2 110.7 64.1 -13.2 6.2 34 51 A S S > S- 0 0 8 -2,-0.7 4,-1.9 1,-0.1 3,-0.3 -0.987 76.2 -95.8-161.5 160.0 66.2 -12.6 3.1 35 52 A E H > S+ 0 0 15 45,-3.0 4,-2.8 -2,-0.3 5,-0.2 0.894 122.3 56.6 -47.1 -45.5 66.8 -10.5 0.0 36 53 A Q H > S+ 0 0 87 44,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.888 103.8 51.9 -58.5 -44.5 64.8 -13.1 -1.9 37 54 A L H > S+ 0 0 1 -3,-0.3 4,-2.4 -5,-0.3 -1,-0.2 0.943 112.8 45.1 -56.4 -51.7 61.7 -12.7 0.4 38 55 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.898 113.0 50.0 -64.3 -39.8 61.7 -8.9 -0.0 39 56 A M H X S+ 0 0 40 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.914 111.4 49.1 -64.1 -42.4 62.2 -9.1 -3.8 40 57 A E H X S+ 0 0 60 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 112.7 47.0 -63.9 -40.3 59.4 -11.6 -4.2 41 58 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.934 110.9 52.6 -68.2 -40.7 57.0 -9.5 -2.1 42 59 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.922 108.2 51.6 -56.8 -46.4 58.0 -6.4 -4.1 43 60 A D H X S+ 0 0 36 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.903 109.2 49.4 -58.6 -45.4 57.2 -8.2 -7.3 44 61 A R H X S+ 0 0 59 -4,-2.1 4,-2.7 1,-0.2 6,-0.5 0.913 110.2 51.1 -61.4 -41.2 53.7 -9.2 -6.0 45 62 A M H < S+ 0 0 0 -4,-2.7 6,-2.5 1,-0.2 7,-0.4 0.894 114.1 43.9 -64.2 -37.4 53.0 -5.6 -4.9 46 63 A A H < S+ 0 0 16 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.864 124.5 33.4 -69.2 -39.5 54.0 -4.3 -8.4 47 64 A Q H < S+ 0 0 128 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.704 112.9 54.0 -94.9 -25.0 52.1 -7.0 -10.3 48 65 A D S < S- 0 0 54 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 0.110 112.8 -97.5-109.0 20.8 49.0 -7.8 -8.2 49 66 A G S > S+ 0 0 18 -3,-0.3 4,-1.7 -4,-0.2 6,-0.2 0.239 90.2 116.0 90.9 -10.6 47.5 -4.3 -7.8 50 67 A W H >>S+ 0 0 0 -6,-0.5 5,-2.4 1,-0.2 4,-0.6 0.941 79.9 42.5 -59.3 -54.0 48.8 -3.5 -4.4 51 68 A R H >45S+ 0 0 75 -6,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.915 112.4 55.1 -57.0 -44.4 51.0 -0.5 -5.4 52 69 A D H 345S+ 0 0 117 -7,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.2 50.7 -61.3 -31.0 48.2 0.7 -7.7 53 70 A M H 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.545 132.2 -88.4 -85.4 -7.1 45.8 0.7 -4.7 54 71 A G T <<5S+ 0 0 27 -3,-1.4 2,-1.1 -4,-0.6 -43,-0.3 0.291 84.2 132.9 121.2 -9.1 48.2 2.7 -2.5 55 72 A Y < + 0 0 0 -5,-2.4 -43,-0.3 -6,-0.2 -1,-0.2 -0.655 22.3 147.5 -80.3 99.1 50.3 0.0 -0.8 56 73 A T + 0 0 42 -45,-1.7 42,-3.0 -2,-1.1 2,-0.4 0.640 35.6 83.0-113.2 -20.9 53.7 1.6 -1.4 57 74 A Y E -bc 12 98A 10 -46,-1.9 -44,-2.4 40,-0.2 2,-0.5 -0.746 47.4-170.1 -96.0 137.0 56.0 0.7 1.5 58 75 A L E -bc 13 99A 0 40,-2.7 42,-2.1 -2,-0.4 2,-0.5 -0.956 22.4-161.4-122.0 106.1 57.9 -2.6 1.7 59 76 A N E -bc 14 100A 7 -46,-3.2 -44,-2.0 -2,-0.5 2,-0.3 -0.824 17.1-151.2-111.0 124.4 59.4 -2.8 5.2 60 77 A I - 0 0 1 40,-2.7 77,-0.2 -2,-0.5 2,-0.1 -0.605 22.0-173.5 -78.2 138.8 62.1 -4.9 6.6 61 78 A D - 0 0 7 1,-0.4 3,-0.5 -2,-0.3 41,-0.3 -0.195 40.6 -27.4-112.2-150.9 61.8 -5.6 10.4 62 79 A D S S+ 0 0 3 1,-0.2 -1,-0.4 -2,-0.1 41,-0.0 -0.046 110.4 44.5 -62.9 158.5 64.1 -7.3 12.9 63 80 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 -42,-0.1 14,-0.1 0.577 75.8 105.4 87.0 19.5 66.7 -9.9 12.1 64 81 A W + 0 0 0 -3,-0.5 13,-2.5 38,-0.1 2,-0.2 0.647 53.7 102.6 -93.4 -20.0 68.3 -8.4 9.0 65 82 A I E +H 76 0B 4 11,-0.3 3,-0.1 1,-0.1 9,-0.0 -0.434 40.4 179.6 -81.6 137.5 71.6 -7.2 10.6 66 83 A G E - 0 0 39 9,-3.3 2,-0.3 1,-0.4 -1,-0.1 0.750 55.5 -78.2 -98.4 -37.1 74.9 -9.0 10.1 67 84 A G E -H 75 0B 16 8,-1.4 8,-2.4 47,-0.1 -1,-0.4 -0.977 48.4 -72.7 165.7-166.5 77.2 -6.9 12.2 68 85 A R E -H 74 0B 61 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.971 42.2-130.5-120.7 142.4 79.2 -3.7 12.0 69 86 A D > - 0 0 58 4,-2.4 3,-2.3 -2,-0.4 6,-0.0 -0.068 43.3 -78.6 -79.5-175.7 82.3 -3.2 9.9 70 87 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.700 133.8 49.7 -59.8 -23.2 85.7 -1.8 11.0 71 88 A S T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.323 123.1-104.4 -92.8 2.9 84.3 1.8 10.8 72 89 A G < + 0 0 16 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.586 69.5 153.9 84.8 12.7 81.2 0.8 12.9 73 90 A R - 0 0 93 1,-0.1 -4,-2.4 54,-0.0 -1,-0.3 -0.590 47.6-113.9 -82.3 131.5 79.0 0.8 9.8 74 91 A L E -H 68 0B 1 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.365 35.1-170.5 -62.1 142.0 75.9 -1.4 9.9 75 92 A M E -H 67 0B 78 -8,-2.4 -9,-3.3 -2,-0.1 -8,-1.4 -0.974 19.8-122.7-132.1 144.2 75.9 -4.4 7.5 76 93 A P E -H 65 0B 19 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.370 50.8 -78.4 -72.7 164.0 73.1 -6.8 6.6 77 94 A D > - 0 0 33 -13,-2.5 4,-2.4 1,-0.2 3,-0.2 -0.507 43.9-146.9 -62.4 119.3 73.6 -10.6 7.1 78 95 A P T 4 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.751 92.8 52.9 -67.9 -24.5 75.8 -11.4 4.0 79 96 A K T 4 S+ 0 0 194 1,-0.1 -2,-0.1 2,-0.1 -13,-0.0 0.854 119.6 33.0 -76.5 -36.0 74.3 -14.9 3.6 80 97 A R T 4 S+ 0 0 14 1,-0.2 -45,-3.0 -3,-0.2 -44,-0.4 0.708 130.0 34.9 -95.2 -19.9 70.7 -13.7 3.5 81 98 A F S >< S+ 0 0 3 -4,-2.4 3,-1.2 -47,-0.2 -1,-0.2 -0.577 71.0 164.8-127.6 65.5 71.3 -10.3 1.9 82 99 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.820 75.3 42.3 -60.7 -34.6 74.1 -11.1 -0.5 83 100 A H T 3 S- 0 0 122 1,-0.2 4,-0.4 2,-0.0 -2,-0.0 0.556 110.2-125.5 -88.1 -8.5 73.8 -8.0 -2.7 84 101 A G <> - 0 0 15 -3,-1.2 4,-1.1 -7,-0.2 -1,-0.2 -0.048 29.5 -68.6 88.7 172.3 73.3 -5.6 0.2 85 102 A I H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.887 124.2 59.5 -75.5 -38.4 70.6 -3.0 1.1 86 103 A P H > S+ 0 0 48 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.914 104.9 53.9 -55.6 -39.7 71.3 -0.4 -1.7 87 104 A F H > S+ 0 0 68 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.908 111.5 44.1 -56.3 -46.1 70.6 -3.2 -4.2 88 105 A L H X S+ 0 0 0 -4,-1.1 4,-3.1 -3,-0.2 5,-0.3 0.937 113.1 50.2 -70.1 -42.9 67.2 -3.9 -2.5 89 106 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.939 112.9 48.1 -57.1 -47.3 66.3 -0.2 -2.2 90 107 A D H X S+ 0 0 89 -4,-3.2 4,-1.8 -5,-0.3 -1,-0.2 0.908 111.9 49.0 -62.4 -38.8 67.2 0.3 -5.9 91 108 A Y H X S+ 0 0 63 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.948 113.1 46.2 -63.3 -50.7 65.1 -2.8 -6.9 92 109 A V H ><>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 3,-1.1 0.924 111.8 51.8 -61.3 -42.3 62.1 -1.6 -4.9 93 110 A H H ><5S+ 0 0 57 -4,-2.9 3,-1.8 -5,-0.3 -1,-0.2 0.874 101.9 60.2 -61.4 -34.9 62.4 1.9 -6.3 94 111 A S H 3<5S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.712 105.5 50.3 -66.4 -20.8 62.5 0.6 -9.9 95 112 A L T <<5S- 0 0 37 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.268 123.4-103.5 -98.8 8.7 59.0 -0.9 -9.2 96 113 A G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.698 83.7 120.7 80.4 19.8 57.5 2.3 -7.8 97 114 A L < - 0 0 4 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.575 56.8-127.4-109.8 173.5 57.8 1.2 -4.2 98 115 A K E -c 57 0A 85 -42,-3.0 -40,-2.7 -2,-0.2 2,-0.6 -0.924 18.6-132.1-123.5 146.4 59.5 2.6 -1.1 99 116 A L E -c 58 0A 0 -2,-0.3 35,-3.4 33,-0.3 36,-1.2 -0.871 16.3-165.6-107.1 123.7 61.8 0.6 1.3 100 117 A G E -cd 59 135A 0 -42,-2.1 -40,-2.7 -2,-0.6 2,-0.3 -0.791 6.7-169.7-100.5 149.3 61.5 0.6 5.0 101 118 A I E - d 0 136A 2 34,-2.4 36,-2.2 -2,-0.3 2,-0.4 -0.771 12.0-129.6-128.7-179.9 64.1 -0.6 7.4 102 119 A Y E + d 0 137A 0 -41,-0.3 2,-0.3 -2,-0.3 36,-0.2 -0.966 24.0 162.7-139.8 136.5 64.4 -1.4 11.1 103 120 A A E - d 0 138A 0 34,-2.3 36,-2.8 -2,-0.4 2,-0.4 -0.936 27.9-126.2-142.1 170.7 66.8 -0.5 13.9 104 121 A D E - d 0 139A 0 -2,-0.3 12,-3.1 10,-0.2 2,-1.3 -0.988 10.0-138.4-127.9 127.2 66.6 -0.5 17.8 105 122 A M B S+i 116 0C 1 34,-3.3 2,-0.3 -2,-0.4 12,-0.2 -0.709 81.3 52.4 -77.0 92.5 67.3 2.3 20.2 106 123 A G S S- 0 0 1 -2,-1.3 37,-0.2 10,-0.9 36,-0.2 -0.947 108.1 -64.4 157.8-179.0 69.3 0.3 22.6 107 124 A N S S+ 0 0 95 35,-2.5 8,-1.7 -2,-0.3 2,-0.3 0.788 113.3 5.7 -71.5 -29.7 72.2 -2.1 22.9 108 125 A F B S-J 114 0D 97 33,-0.3 -1,-0.1 6,-0.3 8,-0.1 -0.958 80.9 -99.7-145.5 160.4 70.5 -4.8 20.8 109 126 A T > - 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0 0 21 -3,-0.5 -1,-0.2 -37,-0.2 -37,-0.1 -0.923 65.8-118.6-138.7 164.5 67.5 0.7 26.6 144 161 A T > - 0 0 54 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.613 34.0-108.9 -93.9 160.7 66.6 2.8 29.6 145 162 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.896 121.7 52.3 -55.6 -39.5 63.8 5.4 29.6 146 163 A E H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.895 108.2 51.3 -65.7 -38.4 66.5 8.2 29.8 147 164 A E H > S+ 0 0 64 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.909 111.4 46.6 -63.6 -42.4 68.2 6.7 26.7 148 165 A R H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 108.6 56.1 -65.9 -39.8 64.9 6.5 24.8 149 166 A A H < S+ 0 0 49 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.841 117.7 34.4 -62.7 -33.5 64.2 10.1 25.8 150 167 A Q H X S+ 0 0 122 -4,-1.7 4,-1.8 -5,-0.1 -2,-0.2 0.878 119.5 52.2 -81.0 -44.2 67.5 11.3 24.3 151 168 A G H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 -3,-0.2 0.819 101.0 53.1 -67.0 -41.0 67.5 8.8 21.4 152 169 A Y H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.955 115.0 41.6 -67.5 -46.3 64.2 9.2 19.7 153 170 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.898 113.5 55.4 -63.1 -36.4 64.6 13.0 19.3 154 171 A K H X S+ 0 0 91 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.908 108.4 47.5 -61.6 -42.9 68.3 12.5 18.3 155 172 A M H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.911 109.3 52.5 -66.7 -42.1 67.3 10.1 15.5 156 173 A A H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.945 113.5 45.2 -57.4 -46.1 64.6 12.4 14.2 157 174 A A H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.896 113.1 50.1 -63.2 -41.7 67.2 15.2 14.1 158 175 A A H X S+ 0 0 9 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.902 110.2 49.2 -66.8 -41.3 69.8 12.9 12.5 159 176 A L H >< S+ 0 0 6 -4,-3.0 3,-0.8 1,-0.2 4,-0.5 0.936 111.8 49.9 -63.2 -44.2 67.4 11.7 9.8 160 177 A N H >< S+ 0 0 125 -4,-2.2 3,-1.8 -5,-0.3 -2,-0.2 0.920 104.9 57.6 -58.6 -43.8 66.5 15.3 9.0 161 178 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.706 94.7 66.2 -63.6 -22.3 70.2 16.3 8.8 162 179 A T T << S- 0 0 41 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.698 101.1-133.2 -68.9 -20.8 70.8 13.7 6.0 163 180 A G < + 0 0 67 -3,-1.8 -3,-0.1 -4,-0.5 -2,-0.1 0.307 69.6 115.5 79.8 -7.8 68.5 15.7 3.7 164 181 A R S S- 0 0 66 -5,-0.4 2,-0.4 2,-0.0 -1,-0.2 -0.828 72.9-119.8 -91.6 129.4 66.7 12.5 2.6 165 182 A P + 0 0 75 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.561 40.0 175.5 -65.2 119.2 63.0 12.4 3.5 166 183 A I - 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