==== 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 4DO5 . 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) . 30644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 12.2 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 . 64 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 24.7 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 0 0 7 0 0 2 2 0 6 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 3 3 3 3 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 . 4 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 18 A L 0 0 32 0, 0.0 2,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.3 56.9 15.0 12.2 2 19 A D + 0 0 163 188,-0.5 188,-0.1 1,-0.2 227,-0.0 -0.324 360.0 114.5 -87.6 57.0 57.1 18.0 9.8 3 20 A N S S- 0 0 39 -2,-1.8 -1,-0.2 2,-0.2 3,-0.1 0.219 88.9-108.5-110.0 11.7 59.1 16.3 7.0 4 21 A G S S+ 0 0 56 -3,-0.3 3,-0.4 1,-0.3 2,-0.2 0.306 81.1 121.5 81.8 -6.4 56.4 16.4 4.4 5 22 A L + 0 0 27 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.2 -0.533 60.6 13.8 -97.3 153.6 55.8 12.6 4.6 6 23 A L + 0 0 19 -2,-0.2 223,-2.6 1,-0.1 -1,-0.2 0.887 56.5 163.2 54.4 50.2 52.8 10.5 5.5 7 24 A Q S S+ 0 0 98 -3,-0.4 -1,-0.1 221,-0.3 223,-0.1 0.668 80.5 33.9 -68.6 -15.4 50.2 13.2 5.1 8 25 A T S S- 0 0 42 220,-0.1 282,-0.1 219,-0.1 3,-0.1 -0.887 118.1 -77.2-124.8 164.0 47.9 10.1 5.0 9 26 A P - 0 0 2 0, 0.0 -2,-0.1 0, 0.0 252,-0.1 -0.271 56.3-101.3 -63.5 146.9 48.6 6.9 6.9 10 27 A P - 0 0 3 0, 0.0 253,-2.4 0, 0.0 2,-0.4 -0.400 35.0-161.6 -67.1 144.6 51.3 4.7 5.4 11 28 A M E +a 263 0A 4 43,-0.3 46,-2.0 251,-0.2 45,-1.6 -0.983 37.6 85.6-124.1 139.3 50.3 1.7 3.4 12 29 A G E -ab 264 57A 0 251,-2.5 253,-2.9 -2,-0.4 2,-0.4 -0.954 68.2 -62.7 171.1-149.1 52.5 -1.3 2.7 13 30 A W E -ab 265 58A 0 44,-2.4 46,-3.1 -2,-0.3 2,-0.4 -0.991 30.8-166.6-138.2 138.3 53.9 -4.6 3.9 14 31 A L E - b 0 59A 8 251,-2.8 4,-0.4 -2,-0.4 3,-0.3 -0.989 17.4-141.6-131.0 133.7 56.1 -5.4 6.9 15 32 A A S >>S+ 0 0 1 44,-2.1 4,-2.2 -2,-0.4 5,-0.6 0.718 78.2 80.4 -65.1 -26.4 57.9 -8.7 7.4 16 33 A W H >5S+ 0 0 35 1,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.862 82.3 49.6 -66.4 -50.5 57.5 -9.2 11.1 17 34 A E H 45S+ 0 0 0 -3,-0.3 -1,-0.2 1,-0.2 186,-0.2 0.920 124.7 26.8 -58.6 -48.8 54.0 -10.6 11.9 18 35 A R H 45S+ 0 0 25 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.2 0.802 134.7 28.5 -82.8 -33.2 54.1 -13.4 9.4 19 36 A F H ><5S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.1 -3,-0.2 0.637 80.2 170.8-109.8 -17.2 57.8 -14.1 8.9 20 37 A R T 3<< - 0 0 27 -4,-2.1 -1,-0.1 -5,-0.6 41,-0.1 -0.074 65.4 -26.6 52.0-135.4 59.2 -13.1 12.3 21 38 A a T 3 S+ 0 0 28 11,-0.0 2,-0.9 -5,-0.0 -1,-0.2 -0.245 81.5 151.2-108.6 42.3 62.9 -14.0 13.0 22 39 A N < + 0 0 25 -3,-1.5 11,-3.0 9,-0.2 -2,-0.0 -0.635 4.1 157.6 -78.8 105.9 63.1 -17.0 10.7 23 40 A I + 0 0 76 -2,-0.9 2,-1.7 9,-0.2 3,-0.2 0.245 34.1 112.7-113.4 13.3 66.8 -17.1 9.6 24 41 A N > + 0 0 63 1,-0.2 4,-2.3 2,-0.1 7,-0.2 -0.568 28.0 156.1 -89.5 75.9 67.0 -20.8 8.6 25 42 A b T 4 + 0 0 33 -2,-1.7 -1,-0.2 2,-0.2 7,-0.1 0.786 67.6 62.7 -75.0 -23.3 67.5 -20.4 4.9 26 43 A D T 4 S+ 0 0 161 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.933 119.8 23.5 -64.9 -44.6 69.1 -23.8 4.6 27 44 A E T 4 S+ 0 0 109 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.738 138.9 28.0 -91.5 -25.5 65.9 -25.6 5.7 28 45 A D >X + 0 0 22 -4,-2.3 4,-1.5 1,-0.1 3,-1.3 -0.446 64.9 158.7-138.7 60.4 63.3 -23.0 4.8 29 46 A P T 34 S+ 0 0 47 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 0.741 73.0 55.4 -62.2 -26.2 64.6 -20.9 1.9 30 47 A K T 34 S+ 0 0 127 1,-0.2 4,-0.1 6,-0.0 -5,-0.1 0.686 118.2 30.4 -78.9 -22.8 61.2 -19.6 0.8 31 48 A N T <4 S+ 0 0 37 -3,-1.3 -9,-0.2 -7,-0.2 -1,-0.2 0.466 90.5 110.4-119.9 -5.3 60.2 -18.1 4.1 32 49 A b S < S- 0 0 1 -4,-1.5 2,-0.8 -8,-0.1 5,-0.3 -0.328 82.7 -95.0 -70.1 155.4 63.4 -17.0 5.7 33 50 A I S S+ 0 0 2 -11,-3.0 2,-0.3 -14,-0.2 -1,-0.1 -0.611 77.1 127.3 -69.6 108.6 64.2 -13.3 6.2 34 51 A S S > S- 0 0 8 -2,-0.8 4,-1.8 1,-0.1 3,-0.3 -0.982 76.4 -95.1-158.9 161.2 66.4 -12.8 3.1 35 52 A E H > S+ 0 0 15 45,-3.0 4,-2.8 -2,-0.3 5,-0.2 0.898 122.1 56.9 -45.6 -46.6 66.9 -10.6 0.0 36 53 A Q H > S+ 0 0 86 44,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.889 103.5 52.0 -57.8 -45.7 64.9 -13.2 -2.0 37 54 A L H > S+ 0 0 1 -5,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.948 113.1 44.4 -56.7 -48.9 61.8 -12.8 0.3 38 55 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.900 113.0 50.8 -66.1 -41.3 61.8 -9.0 -0.1 39 56 A M H X S+ 0 0 39 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.928 111.5 48.1 -60.7 -44.1 62.4 -9.2 -3.8 40 57 A E H X S+ 0 0 59 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.906 112.5 48.0 -63.9 -40.6 59.5 -11.7 -4.2 41 58 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.914 110.3 52.7 -67.4 -40.6 57.1 -9.6 -2.1 42 59 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 107.6 51.8 -56.0 -46.4 58.1 -6.5 -4.1 43 60 A D H X S+ 0 0 36 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 110.6 48.4 -58.9 -43.8 57.3 -8.3 -7.3 44 61 A R H X S+ 0 0 57 -4,-2.1 4,-2.7 2,-0.2 6,-0.5 0.919 110.1 51.2 -63.9 -40.8 53.9 -9.2 -5.9 45 62 A M H < S+ 0 0 0 -4,-2.6 6,-2.5 1,-0.2 7,-0.4 0.891 115.5 43.0 -62.6 -38.8 53.2 -5.6 -4.8 46 63 A A H < S+ 0 0 15 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.849 123.9 34.4 -73.5 -35.5 54.1 -4.4 -8.3 47 64 A Q H < S+ 0 0 128 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.730 112.3 53.2 -95.6 -25.7 52.2 -7.1 -10.3 48 65 A D S < S- 0 0 54 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 0.063 113.3 -95.7-110.9 22.0 49.1 -7.9 -8.2 49 66 A G S > S+ 0 0 17 -3,-0.3 4,-1.7 -4,-0.2 6,-0.2 0.237 90.7 115.6 97.0 -12.0 47.6 -4.4 -7.8 50 67 A W H >>S+ 0 0 0 -6,-0.5 5,-2.5 1,-0.2 4,-0.6 0.941 79.9 42.4 -60.5 -53.9 49.0 -3.6 -4.3 51 68 A R H >45S+ 0 0 74 -6,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.923 113.5 53.8 -57.8 -45.0 51.1 -0.6 -5.4 52 69 A D H 345S+ 0 0 120 -7,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 107.0 51.2 -62.5 -30.7 48.4 0.7 -7.7 53 70 A M H 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.527 132.7 -90.5 -82.9 -8.9 45.9 0.6 -4.8 54 71 A G T <<5S+ 0 0 27 -3,-1.4 2,-1.1 -4,-0.6 -43,-0.3 0.313 83.5 133.1 120.6 -7.7 48.3 2.6 -2.6 55 72 A Y < + 0 0 0 -5,-2.5 -43,-0.3 -6,-0.2 -1,-0.2 -0.653 22.5 149.2 -78.1 100.3 50.4 -0.0 -0.8 56 73 A T + 0 0 42 -45,-1.6 42,-3.1 -2,-1.1 2,-0.4 0.646 34.7 85.1-115.0 -21.2 53.9 1.5 -1.4 57 74 A Y E -bc 12 98A 9 -46,-2.0 -44,-2.4 40,-0.2 2,-0.5 -0.732 46.8-170.6 -92.4 137.6 56.2 0.6 1.5 58 75 A L E -bc 13 99A 0 40,-2.8 42,-2.3 -2,-0.4 2,-0.5 -0.963 22.4-162.0-123.4 106.2 58.1 -2.7 1.7 59 76 A N E -bc 14 100A 7 -46,-3.1 -44,-2.1 -2,-0.5 2,-0.3 -0.835 17.6-151.4-113.4 125.7 59.5 -2.9 5.2 60 77 A I - 0 0 1 40,-2.7 77,-0.2 -2,-0.5 2,-0.1 -0.605 22.2-173.7 -79.3 138.1 62.3 -5.0 6.6 61 78 A D - 0 0 8 1,-0.4 3,-0.5 -2,-0.3 41,-0.3 -0.172 40.1 -27.7-113.7-147.8 62.0 -5.7 10.4 62 79 A D S S+ 0 0 3 1,-0.2 -1,-0.4 -2,-0.1 41,-0.0 -0.123 110.3 43.6 -68.0 163.9 64.3 -7.4 12.9 63 80 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 -42,-0.1 -30,-0.1 0.616 76.7 106.5 81.9 19.3 66.9 -10.1 12.1 64 81 A W + 0 0 0 -3,-0.5 13,-2.5 38,-0.1 2,-0.2 0.642 53.1 101.0 -91.9 -18.4 68.4 -8.5 9.0 65 82 A I E -I 76 0B 3 11,-0.3 3,-0.1 1,-0.1 9,-0.0 -0.430 42.2-178.1 -86.0 138.9 71.7 -7.3 10.5 66 83 A G E - 0 0 39 9,-3.4 2,-0.3 1,-0.4 -1,-0.1 0.770 55.5 -77.5 -98.0 -37.9 75.0 -9.1 10.1 67 84 A G E -I 75 0B 18 8,-1.3 8,-2.4 47,-0.1 -1,-0.4 -0.960 49.4 -74.1 166.7-165.3 77.4 -7.1 12.2 68 85 A R E -I 74 0B 58 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.961 42.2-129.0-120.0 144.5 79.3 -3.8 12.0 69 86 A D > - 0 0 59 4,-2.3 3,-2.1 -2,-0.4 -1,-0.1 -0.042 43.2 -78.3 -83.6-173.5 82.5 -3.3 9.9 70 87 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 134.0 48.8 -63.1 -22.1 85.8 -1.9 11.0 71 88 A S T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.363 123.4-103.6 -93.3 1.2 84.5 1.6 10.8 72 89 A G < + 0 0 15 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.570 69.8 154.1 87.7 13.2 81.3 0.7 12.8 73 90 A R - 0 0 95 1,-0.1 -4,-2.3 -5,-0.0 -1,-0.3 -0.566 47.0-114.7 -81.1 130.2 79.2 0.6 9.7 74 91 A L E -I 68 0B 2 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.383 34.4-170.4 -64.1 141.6 76.1 -1.6 9.9 75 92 A M E -I 67 0B 76 -8,-2.4 -9,-3.4 -2,-0.1 -8,-1.3 -0.979 19.4-123.7-129.8 143.6 76.0 -4.5 7.5 76 93 A P E -I 65 0B 18 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.375 51.6 -76.9 -72.8 164.9 73.2 -6.9 6.6 77 94 A D > - 0 0 34 -13,-2.5 4,-2.6 1,-0.2 7,-0.2 -0.495 43.6-147.1 -62.9 117.3 73.7 -10.7 7.0 78 95 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.771 93.4 52.2 -64.9 -25.9 75.9 -11.5 4.0 79 96 A K T 4 S+ 0 0 192 1,-0.1 -2,-0.1 2,-0.1 -13,-0.0 0.895 119.6 33.2 -74.9 -39.3 74.5 -15.0 3.5 80 97 A R T 4 S+ 0 0 16 1,-0.2 -45,-3.0 -3,-0.1 -44,-0.4 0.701 129.8 34.7 -93.5 -20.2 70.8 -13.8 3.5 81 98 A F S >< S+ 0 0 3 -4,-2.6 3,-1.1 -47,-0.2 -1,-0.2 -0.589 70.9 165.6-128.9 67.0 71.4 -10.4 1.8 82 99 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.808 75.6 42.4 -59.4 -34.9 74.2 -11.2 -0.6 83 100 A H T 3 S- 0 0 122 1,-0.2 4,-0.4 2,-0.0 -2,-0.0 0.556 110.1-126.8 -90.9 -8.8 73.9 -8.1 -2.7 84 101 A G <> - 0 0 15 -3,-1.1 4,-1.2 -7,-0.2 -1,-0.2 -0.083 29.9 -66.3 87.9 173.5 73.4 -5.7 0.2 85 102 A I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.886 124.3 59.4 -74.1 -40.0 70.8 -3.1 1.1 86 103 A P H > S+ 0 0 50 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.906 105.3 53.3 -53.6 -40.8 71.4 -0.6 -1.7 87 104 A F H > S+ 0 0 69 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.912 111.5 44.7 -56.8 -46.5 70.7 -3.3 -4.2 88 105 A L H X S+ 0 0 0 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.939 113.8 48.7 -69.1 -43.5 67.4 -4.0 -2.6 89 106 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.923 113.5 48.2 -59.0 -45.1 66.5 -0.3 -2.3 90 107 A D H X S+ 0 0 89 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.899 112.1 49.1 -65.5 -39.3 67.3 0.2 -5.9 91 108 A Y H X S+ 0 0 63 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.951 112.9 46.2 -63.1 -49.3 65.3 -2.9 -6.9 92 109 A V H ><>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-1.0 0.928 111.9 51.8 -62.0 -41.2 62.2 -1.8 -4.9 93 110 A H H ><5S+ 0 0 57 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.877 101.4 60.9 -63.4 -35.4 62.5 1.8 -6.3 94 111 A S H 3<5S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.759 105.1 50.3 -63.9 -23.5 62.7 0.4 -9.8 95 112 A L T <<5S- 0 0 36 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.237 123.3-103.6 -94.9 9.5 59.2 -1.0 -9.1 96 113 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.711 84.0 121.4 75.4 21.8 57.7 2.3 -7.8 97 114 A L < - 0 0 4 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.605 57.1-126.6-110.9 171.1 57.9 1.1 -4.2 98 115 A K E -c 57 0A 82 -42,-3.1 -40,-2.8 -2,-0.2 2,-0.5 -0.915 17.6-133.4-119.3 145.4 59.6 2.4 -1.1 99 116 A L E -c 58 0A 0 -2,-0.3 35,-3.5 33,-0.3 36,-1.1 -0.890 16.5-166.8-107.1 124.4 62.0 0.5 1.2 100 117 A G E -cd 59 135A 0 -42,-2.3 -40,-2.7 -2,-0.5 2,-0.2 -0.788 6.5-169.7-101.5 151.6 61.7 0.5 5.1 101 118 A I E - d 0 136A 2 34,-2.2 36,-2.4 -2,-0.3 2,-0.4 -0.777 11.9-129.7-132.7 177.7 64.3 -0.7 7.4 102 119 A Y E + d 0 137A 0 -41,-0.3 2,-0.3 -2,-0.2 36,-0.2 -0.968 24.4 162.1-136.3 141.2 64.5 -1.5 11.1 103 120 A A E - d 0 138A 0 34,-2.3 36,-2.9 -2,-0.4 2,-0.4 -0.931 29.0-124.7-147.1 171.1 66.9 -0.6 13.9 104 121 A D E - d 0 139A 0 -2,-0.3 12,-3.2 10,-0.3 2,-1.4 -0.984 10.1-138.8-128.4 127.7 66.8 -0.6 17.7 105 122 A M B S+j 116 0C 1 34,-3.2 2,-0.3 -2,-0.4 12,-0.2 -0.675 81.6 53.4 -79.0 90.2 67.4 2.3 20.0 106 123 A G S S- 0 0 1 -2,-1.4 37,-0.2 10,-0.9 36,-0.2 -0.952 107.7 -64.4 161.2 179.6 69.4 0.2 22.6 107 124 A N S S+ 0 0 93 35,-2.4 8,-1.9 -2,-0.3 2,-0.3 0.819 114.0 5.3 -66.8 -31.2 72.3 -2.2 22.9 108 125 A F B S-K 114 0D 96 33,-0.3 -1,-0.1 6,-0.3 8,-0.1 -0.956 81.0-100.4-145.7 156.7 70.7 -4.9 20.8 109 126 A T > - 0 0 0 4,-2.8 3,-2.0 -2,-0.3 6,-0.1 -0.328 53.0 -95.5 -67.3 165.7 67.6 -5.4 18.7 110 127 A c T 3 S+ 0 0 42 1,-0.3 -1,-0.1 2,-0.1 32,-0.1 0.833 129.7 48.9 -54.4 -34.0 64.8 -7.3 20.5 111 128 A M T 3 S- 0 0 100 30,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.349 128.2 -98.5 -91.1 5.3 66.1 -10.6 18.9 112 129 A G S < S+ 0 0 43 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.572 75.6 139.6 94.7 14.1 69.7 -9.8 19.9 113 130 A Y - 0 0 40 1,-0.2 -4,-2.8 -46,-0.0 -1,-0.3 -0.343 69.2 -61.1 -79.8 166.0 71.1 -8.3 16.7 114 131 A P B -K 108 0D 40 0, 0.0 -10,-0.3 0, 0.0 -6,-0.3 -0.236 61.3-138.6 -55.6 130.5 73.5 -5.2 16.9 115 132 A G - 0 0 5 -8,-1.9 2,-1.0 -3,-0.1 -10,-0.2 -0.441 12.3-119.7 -88.0 162.3 71.8 -2.2 18.4 116 133 A T B -j 105 0C 0 -12,-3.2 -10,-0.9 -2,-0.1 -8,-0.1 -0.830 40.5-171.8 -99.1 87.3 71.8 1.5 17.5 117 134 A T >> - 0 0 32 -2,-1.0 3,-2.3 -12,-0.2 4,-0.9 -0.269 42.2 -93.1 -72.3 169.2 73.2 2.9 20.7 118 135 A L G >4 S+ 0 0 44 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.891 128.0 54.9 -54.7 -38.9 73.3 6.6 21.3 119 136 A D G 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.525 111.7 45.2 -74.5 -3.5 76.9 6.8 19.9 120 137 A K G <> S+ 0 0 46 -3,-2.3 4,-2.7 2,-0.1 5,-0.3 0.423 84.0 95.1-111.8 -6.2 75.7 5.0 16.7 121 138 A V H S+ 0 0 60 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.954 115.8 48.6 -66.1 -48.5 74.1 9.5 13.6 123 140 A Q H > S+ 0 0 48 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.887 113.4 47.7 -56.7 -42.4 76.2 7.0 11.7 124 141 A D H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.921 110.4 51.0 -70.5 -42.2 73.3 4.6 11.3 125 142 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.933 112.2 48.4 -55.2 -45.8 71.0 7.4 10.1 126 143 A Q H X S+ 0 0 96 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.915 111.1 50.0 -63.6 -41.5 73.7 8.4 7.6 127 144 A T H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.938 110.2 49.6 -61.3 -48.6 74.1 4.8 6.4 128 145 A F H X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.5 0.916 112.9 47.1 -60.2 -42.1 70.3 4.4 5.9 129 146 A A H ><5S+ 0 0 13 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.912 110.4 52.1 -64.4 -42.0 70.2 7.6 3.9 130 147 A E H 3<5S+ 0 0 122 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.880 108.2 51.9 -61.8 -37.6 73.2 6.5 1.8 131 148 A W H 3<5S- 0 0 30 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.583 116.0-120.1 -71.6 -12.6 71.4 3.2 1.1 132 149 A K T <<5 + 0 0 100 -3,-1.1 -33,-0.3 -4,-0.5 -3,-0.2 0.777 49.2 170.1 70.8 35.1 68.3 5.2 -0.1 133 150 A V < - 0 0 0 -5,-2.2 -33,-0.2 1,-0.1 -1,-0.2 -0.323 23.4-159.3 -63.0 152.4 66.0 3.8 2.6 134 151 A D + 0 0 15 -35,-3.5 33,-2.7 1,-0.3 2,-0.3 0.507 68.3 26.2-115.3 -12.0 62.6 5.5 2.8 135 152 A M E -de 100 167A 3 -36,-1.1 -34,-2.2 31,-0.3 2,-0.4 -0.983 58.3-159.6-154.7 145.6 61.3 4.6 6.2 136 153 A L E -de 101 168A 0 31,-2.5 33,-3.2 -2,-0.3 2,-0.6 -0.997 4.3-160.7-131.7 126.7 62.9 3.5 9.6 137 154 A K E -de 102 169A 19 -36,-2.4 -34,-2.3 -2,-0.4 2,-0.7 -0.950 14.5-159.3-100.1 121.0 61.1 1.7 12.4 138 155 A L E -de 103 170A 0 31,-2.8 33,-2.1 -2,-0.6 34,-0.3 -0.884 7.2-160.2-110.7 103.0 63.1 2.3 15.6 139 156 A D E -d 104 0A 17 -36,-2.9 -34,-3.2 -2,-0.7 33,-0.1 -0.211 10.7-140.2 -76.3 167.8 62.4 -0.4 18.2 140 157 A G > + 0 0 0 -36,-0.2 3,-0.5 31,-0.1 8,-0.1 0.177 47.2 130.7-126.4 20.3 63.2 0.1 21.9 141 158 A c T 3 + 0 0 27 1,-0.2 -33,-0.3 -35,-0.1 3,-0.1 -0.320 68.0 21.9 -68.9 155.2 64.6 -3.0 23.4 142 159 A F T 3 S+ 0 0 114 1,-0.2 -35,-2.4 -36,-0.2 2,-0.3 0.835 99.9 105.2 61.6 38.3 67.7 -3.1 25.6 143 160 A S < - 0 0 22 -3,-0.5 -1,-0.2 -37,-0.2 -37,-0.1 -0.921 65.6-117.7-140.2 165.6 67.6 0.6 26.6 144 161 A T > - 0 0 55 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.642 33.6-110.1 -96.4 159.3 66.8 2.7 29.5 145 162 A P H > S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.891 121.8 53.2 -55.1 -37.7 64.0 5.3 29.6 146 163 A E H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.873 107.7 50.0 -66.9 -38.8 66.7 8.0 29.7 147 164 A E H > S+ 0 0 66 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.908 111.7 47.9 -63.5 -43.9 68.4 6.6 26.6 148 165 A R H X S+ 0 0 17 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 108.2 55.3 -63.1 -40.1 65.1 6.5 24.7 149 166 A A H < S+ 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.842 118.3 34.3 -64.9 -34.7 64.3 10.1 25.7 150 167 A Q H X S+ 0 0 125 -4,-1.6 4,-1.7 -5,-0.1 -1,-0.2 0.880 119.4 51.8 -78.1 -44.0 67.7 11.2 24.2 151 168 A G H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.823 101.1 53.7 -71.8 -39.4 67.7 8.7 21.4 152 169 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.965 115.2 41.1 -66.2 -48.1 64.4 9.1 19.6 153 170 A P H > S+ 0 0 40 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.903 113.6 55.4 -61.9 -37.7 64.8 12.9 19.2 154 171 A K H X S+ 0 0 92 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.904 109.0 47.2 -59.3 -42.6 68.5 12.4 18.3 155 172 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.918 109.5 52.6 -68.2 -42.0 67.5 10.0 15.5 156 173 A A H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.942 113.4 45.0 -57.3 -45.7 64.8 12.3 14.1 157 174 A A H X S+ 0 0 61 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 113.0 50.4 -64.7 -41.8 67.4 15.1 14.0 158 175 A A H X S+ 0 0 10 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.891 110.0 49.2 -65.1 -41.6 70.0 12.8 12.4 159 176 A L H >< S+ 0 0 6 -4,-2.8 3,-0.9 1,-0.2 4,-0.5 0.939 111.8 50.1 -62.3 -46.9 67.6 11.6 9.7 160 177 A N H >< S+ 0 0 124 -4,-2.3 3,-1.7 -5,-0.3 -2,-0.2 0.915 105.0 57.3 -56.0 -44.6 66.7 15.1 8.9 161 178 A A H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.727 94.4 66.7 -63.2 -22.6 70.4 16.1 8.7 162 179 A T T << S- 0 0 41 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.717 101.6-132.1 -68.3 -22.5 71.0 13.5 5.9 163 180 A G S < S+ 0 0 67 -3,-1.7 -3,-0.1 -4,-0.5 -2,-0.1 0.291 70.5 114.8 84.1 -8.8 68.7 15.5 3.6 164 181 A R S S- 0 0 66 -5,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.830 73.2-119.4 -94.3 129.9 66.8 12.4 2.5 165 182 A P + 0 0 76 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.554 39.5 176.2 -64.5 118.2 63.1 12.2 3.5 166 183 A I - 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