==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-09 3H53 . COMPND 2 MOLECULE: ALPHA-N-ACETYLGALACTOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.E.CLARK,S.C.GARMAN . 774 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 12.3 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 . 62 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 24.8 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 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 . 3 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 4 2 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 1 1 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 0.000 360.0 360.0 360.0 128.6 56.7 15.0 12.3 2 19 A D + 0 0 161 188,-0.5 188,-0.1 1,-0.2 227,-0.1 -0.365 360.0 111.5 -85.5 58.9 57.0 18.0 10.0 3 20 A N S S- 0 0 39 -2,-1.8 -1,-0.2 2,-0.2 3,-0.1 0.247 89.1-111.8-111.3 7.9 58.8 16.3 7.2 4 21 A G S S+ 0 0 52 -3,-0.3 3,-0.3 1,-0.3 2,-0.2 0.433 78.4 124.0 77.4 0.6 56.0 16.5 4.6 5 22 A L + 0 0 29 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 -0.596 59.4 16.9 -97.0 153.7 55.5 12.7 4.7 6 23 A L + 0 0 17 -2,-0.2 223,-2.6 1,-0.1 224,-0.2 0.887 56.8 163.9 58.7 47.2 52.5 10.6 5.5 7 24 A Q S S+ 0 0 101 -3,-0.3 -1,-0.1 221,-0.3 223,-0.1 0.709 80.8 33.7 -64.0 -21.4 49.8 13.3 5.1 8 25 A T S S- 0 0 42 220,-0.1 282,-0.1 221,-0.1 3,-0.1 -0.877 118.5 -76.8-121.8 161.1 47.6 10.2 4.9 9 26 A P - 0 0 1 0, 0.0 252,-0.1 0, 0.0 -2,-0.1 -0.283 57.6-101.0 -59.7 143.5 48.3 7.0 6.9 10 27 A P - 0 0 3 0, 0.0 253,-2.0 0, 0.0 2,-0.4 -0.380 35.5-159.1 -67.2 140.8 51.0 4.8 5.4 11 28 A M E +a 263 0A 4 43,-0.3 46,-2.1 251,-0.2 45,-1.6 -0.971 38.5 83.2-120.4 137.9 50.0 1.8 3.3 12 29 A G E -ab 264 57A 0 251,-2.3 253,-2.6 -2,-0.4 2,-0.4 -0.955 68.4 -60.3 171.9-148.3 52.2 -1.2 2.6 13 30 A W E -ab 265 58A 0 44,-2.7 46,-3.4 -2,-0.3 2,-0.4 -0.995 30.7-166.4-138.2 136.2 53.5 -4.5 3.8 14 31 A L E - b 0 59A 9 251,-2.8 4,-0.4 -2,-0.4 3,-0.2 -0.989 16.3-143.8-128.0 135.1 55.6 -5.3 6.8 15 32 A A S >>S+ 0 0 1 44,-1.9 4,-2.2 -2,-0.4 5,-0.5 0.755 77.6 80.7 -68.5 -28.5 57.5 -8.6 7.2 16 33 A W H >5S+ 0 0 28 1,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.844 83.3 48.5 -58.9 -56.4 57.1 -9.2 11.0 17 34 A E H 45S+ 0 0 0 -3,-0.2 -1,-0.2 1,-0.2 186,-0.1 0.900 123.9 28.5 -57.2 -47.7 53.7 -10.6 11.8 18 35 A R H 45S+ 0 0 25 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.848 134.8 27.0 -82.4 -36.7 53.6 -13.4 9.2 19 36 A F H ><5S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.1 -3,-0.2 0.628 80.5 171.3-111.1 -16.0 57.3 -14.2 8.8 20 37 A R T 3<< - 0 0 24 -4,-2.5 -1,-0.1 -5,-0.5 41,-0.1 -0.039 66.1 -25.2 51.7-135.8 58.8 -13.2 12.2 21 38 A a T 3 S+ 0 0 35 11,-0.0 2,-0.9 -5,-0.0 -1,-0.2 -0.187 81.3 152.7-108.1 39.0 62.4 -14.1 12.9 22 39 A N < + 0 0 24 -3,-1.6 11,-3.3 9,-0.2 -3,-0.0 -0.592 3.2 157.6 -72.1 105.0 62.6 -17.1 10.5 23 40 A I + 0 0 82 -2,-0.9 2,-1.7 9,-0.2 3,-0.2 0.270 35.3 110.9-112.2 8.6 66.3 -17.2 9.5 24 41 A N > + 0 0 62 1,-0.2 4,-2.3 2,-0.1 7,-0.2 -0.550 29.5 157.7 -87.2 76.3 66.4 -20.9 8.4 25 42 A b T 4 + 0 0 36 -2,-1.7 -1,-0.2 2,-0.2 7,-0.1 0.706 67.8 62.7 -73.7 -20.1 66.9 -20.4 4.7 26 43 A D T 4 S+ 0 0 158 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.951 119.1 23.1 -66.0 -51.3 68.4 -23.9 4.3 27 44 A E T 4 S+ 0 0 105 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.751 139.6 28.6 -85.8 -28.4 65.2 -25.7 5.4 28 45 A D >X + 0 0 23 -4,-2.3 4,-1.4 1,-0.1 3,-1.2 -0.453 64.6 157.3-136.0 61.4 62.8 -23.0 4.6 29 46 A P T 34 S+ 0 0 51 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 0.745 74.2 55.1 -63.7 -25.3 64.1 -20.9 1.7 30 47 A K T 34 S+ 0 0 127 1,-0.2 4,-0.1 6,-0.0 -5,-0.1 0.713 118.6 30.0 -78.2 -22.5 60.7 -19.6 0.6 31 48 A N T <4 S+ 0 0 35 -3,-1.2 -9,-0.2 -7,-0.2 -1,-0.2 0.430 89.9 108.3-123.6 -5.1 59.7 -18.1 4.0 32 49 A b S < S- 0 0 1 -4,-1.4 2,-0.8 -8,-0.1 5,-0.3 -0.392 84.8 -93.0 -73.5 154.3 63.0 -17.0 5.7 33 50 A I S S+ 0 0 2 -11,-3.3 2,-0.3 -14,-0.2 -1,-0.1 -0.606 76.6 134.4 -68.7 107.2 63.8 -13.4 6.1 34 51 A S S > S- 0 0 8 -2,-0.8 4,-1.7 1,-0.1 47,-0.2 -0.972 73.8-100.9-153.6 161.8 65.9 -12.8 3.0 35 52 A E H > S+ 0 0 15 45,-3.1 4,-2.4 -2,-0.3 5,-0.2 0.910 122.1 55.9 -48.5 -48.3 66.6 -10.7 -0.1 36 53 A Q H > S+ 0 0 88 44,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.886 103.2 53.7 -55.2 -45.6 64.5 -13.2 -2.1 37 54 A L H > S+ 0 0 1 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.926 111.3 44.8 -57.1 -47.9 61.4 -12.8 0.2 38 55 A F H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.896 113.0 49.7 -67.7 -40.3 61.4 -9.0 -0.2 39 56 A M H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.889 111.5 50.3 -62.9 -39.4 61.9 -9.1 -4.0 40 57 A E H X S+ 0 0 57 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.902 112.5 45.5 -67.2 -41.4 59.1 -11.6 -4.3 41 58 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.897 111.2 53.8 -67.3 -40.8 56.7 -9.5 -2.2 42 59 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 107.4 51.3 -56.3 -47.1 57.8 -6.4 -4.2 43 60 A D H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 110.6 48.6 -56.5 -46.1 56.9 -8.2 -7.4 44 61 A R H X S+ 0 0 56 -4,-1.8 4,-2.9 2,-0.2 6,-0.5 0.901 111.0 50.0 -61.6 -42.7 53.5 -9.1 -6.0 45 62 A M H < S+ 0 0 0 -4,-2.6 6,-2.7 1,-0.2 7,-0.4 0.885 115.1 44.1 -63.7 -39.1 52.8 -5.5 -4.9 46 63 A A H < S+ 0 0 14 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.866 124.8 32.4 -70.1 -39.2 53.8 -4.2 -8.4 47 64 A Q H < S+ 0 0 124 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.733 111.5 56.8 -95.8 -27.3 51.9 -6.9 -10.4 48 65 A D S < S- 0 0 50 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.1 0.148 112.9 -97.0-103.0 19.9 48.8 -7.7 -8.3 49 66 A G S > S+ 0 0 18 -3,-0.3 4,-1.4 -4,-0.2 6,-0.2 0.278 92.0 115.1 92.1 -9.9 47.2 -4.3 -7.9 50 67 A W H >>>S+ 0 0 0 -6,-0.5 5,-2.2 2,-0.2 4,-0.7 0.939 78.4 43.5 -60.8 -54.3 48.6 -3.4 -4.5 51 68 A R H >45S+ 0 0 73 -6,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.921 112.8 54.0 -55.8 -47.2 50.8 -0.5 -5.5 52 69 A D H 345S+ 0 0 118 -7,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.746 106.6 52.1 -61.0 -27.7 48.0 0.9 -7.7 53 70 A M H <<5S- 0 0 56 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.566 131.4 -91.0 -86.4 -11.3 45.6 0.8 -4.8 54 71 A G T <<5S+ 0 0 26 -3,-1.4 2,-1.2 -4,-0.7 -43,-0.3 0.305 83.8 132.4 121.3 -6.6 48.0 2.8 -2.6 55 72 A Y < + 0 0 0 -5,-2.2 -43,-0.3 1,-0.2 -1,-0.2 -0.655 23.1 148.4 -76.3 98.8 50.1 0.1 -0.8 56 73 A T + 0 0 42 -45,-1.6 42,-3.2 -2,-1.2 2,-0.4 0.661 35.3 85.9-112.3 -23.4 53.5 1.6 -1.5 57 74 A Y E -bc 12 98A 9 -46,-2.1 -44,-2.7 40,-0.2 2,-0.6 -0.712 47.0-171.2 -90.7 131.4 55.8 0.7 1.4 58 75 A L E -bc 13 99A 0 40,-2.9 42,-2.5 -2,-0.4 2,-0.5 -0.956 23.1-163.9-115.4 107.7 57.7 -2.6 1.5 59 76 A N E -bc 14 100A 7 -46,-3.4 -44,-1.9 -2,-0.6 2,-0.3 -0.832 17.1-149.9-111.9 127.7 59.1 -2.8 5.0 60 77 A I - 0 0 1 40,-2.9 77,-0.2 -2,-0.5 2,-0.1 -0.641 21.3-172.9 -80.6 140.6 61.9 -4.9 6.5 61 78 A D - 0 0 5 1,-0.4 3,-0.4 -2,-0.3 41,-0.3 -0.205 40.0 -28.5-112.7-148.6 61.5 -5.7 10.3 62 79 A D S S+ 0 0 3 1,-0.2 -1,-0.4 -2,-0.1 41,-0.0 -0.061 109.8 44.7 -65.4 164.3 63.8 -7.4 12.8 63 80 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 -42,-0.1 14,-0.1 0.662 77.0 105.9 77.2 22.2 66.4 -10.1 12.0 64 81 A W + 0 0 0 -3,-0.4 13,-2.3 38,-0.1 2,-0.1 0.671 53.5 100.1 -94.8 -21.3 68.0 -8.5 8.9 65 82 A I E +H 76 0B 2 11,-0.3 3,-0.1 1,-0.1 9,-0.0 -0.391 41.4 180.0 -78.5 140.6 71.2 -7.4 10.5 66 83 A G E - 0 0 40 9,-3.6 2,-0.3 1,-0.4 -1,-0.1 0.725 55.8 -81.2-103.6 -33.0 74.5 -9.2 10.1 67 84 A G E -H 75 0B 15 8,-1.5 8,-2.7 47,-0.1 -1,-0.4 -0.975 48.0 -71.1 160.8-163.3 76.9 -7.1 12.2 68 85 A R E -H 74 0B 58 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.967 41.3-130.5-124.7 145.5 78.9 -3.9 12.0 69 86 A D > - 0 0 60 4,-2.4 3,-2.7 -2,-0.4 6,-0.0 -0.117 45.0 -75.6 -85.2-173.8 82.1 -3.5 9.9 70 87 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.704 134.4 49.7 -58.3 -22.8 85.5 -2.0 11.0 71 88 A S T 3 S- 0 0 95 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.310 121.6-106.0 -95.5 6.5 84.0 1.5 10.9 72 89 A G < + 0 0 9 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.608 69.2 154.9 78.7 13.3 81.0 0.5 12.9 73 90 A R - 0 0 84 1,-0.1 -4,-2.4 54,-0.0 -1,-0.3 -0.595 47.6-111.3 -81.9 131.9 78.8 0.6 9.8 74 91 A L E -H 68 0B 0 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.322 36.1-169.9 -63.5 136.6 75.7 -1.5 9.9 75 92 A M E -H 67 0B 68 -8,-2.7 -9,-3.6 -2,-0.1 -8,-1.5 -0.982 18.2-126.7-129.4 143.1 75.6 -4.5 7.6 76 93 A P E -H 65 0B 18 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.311 52.1 -74.5 -74.5 168.8 72.8 -6.9 6.6 77 94 A D > - 0 0 33 -13,-2.3 4,-2.8 1,-0.2 7,-0.2 -0.550 43.7-146.6 -63.7 119.6 73.3 -10.7 6.9 78 95 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.769 94.4 46.7 -66.2 -27.3 75.6 -11.5 4.0 79 96 A K T 4 S+ 0 0 184 1,-0.1 -2,-0.1 2,-0.1 -13,-0.0 0.862 120.3 36.3 -80.2 -38.1 74.1 -15.0 3.4 80 97 A R T 4 S+ 0 0 16 1,-0.2 -45,-3.1 -16,-0.1 -44,-0.4 0.732 130.1 32.8 -89.9 -22.9 70.4 -13.8 3.5 81 98 A F S >< S+ 0 0 3 -4,-2.8 3,-1.2 -47,-0.2 -1,-0.2 -0.566 71.8 165.0-126.7 67.6 71.0 -10.5 1.8 82 99 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.791 76.8 42.8 -59.9 -32.2 73.9 -11.3 -0.6 83 100 A H T 3 S- 0 0 123 1,-0.2 4,-0.5 2,-0.0 -2,-0.0 0.544 109.5-127.7 -91.4 -9.9 73.5 -8.1 -2.7 84 101 A G <> - 0 0 15 -3,-1.2 4,-1.0 -7,-0.2 -1,-0.2 -0.078 29.9 -67.2 86.3 173.5 73.0 -5.7 0.2 85 102 A I H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 3,-0.3 0.887 124.4 59.5 -74.1 -41.4 70.3 -3.1 1.0 86 103 A P H > S+ 0 0 49 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.912 104.8 54.4 -52.7 -40.6 71.0 -0.6 -1.7 87 104 A F H > S+ 0 0 69 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.896 111.7 43.4 -54.5 -44.9 70.3 -3.4 -4.2 88 105 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.3 5,-0.2 0.892 113.4 50.3 -72.6 -41.3 66.9 -4.0 -2.6 89 106 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.924 112.8 47.9 -60.1 -44.9 66.1 -0.3 -2.3 90 107 A D H X S+ 0 0 87 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.868 112.4 48.7 -64.3 -39.3 67.0 0.2 -6.0 91 108 A Y H X S+ 0 0 63 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.942 113.7 46.0 -64.7 -48.7 64.9 -2.9 -7.0 92 109 A V H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-1.2 0.921 112.7 50.3 -61.4 -45.9 61.9 -1.7 -5.0 93 110 A H H ><5S+ 0 0 56 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.856 102.8 60.6 -60.6 -36.6 62.2 1.9 -6.3 94 111 A S H 3<5S+ 0 0 87 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.704 104.5 51.1 -65.1 -19.5 62.4 0.5 -9.9 95 112 A L T <<5S- 0 0 36 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.282 123.2-104.1 -99.5 9.1 58.9 -0.9 -9.2 96 113 A G T < 5S+ 0 0 51 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.729 84.3 121.2 75.1 23.3 57.4 2.4 -8.0 97 114 A L < - 0 0 4 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.634 57.4-126.6-112.6 171.2 57.6 1.2 -4.4 98 115 A K E -c 57 0A 83 -42,-3.2 -40,-2.9 -2,-0.2 2,-0.5 -0.909 17.9-132.0-120.2 148.4 59.3 2.5 -1.2 99 116 A L E -c 58 0A 0 -2,-0.3 35,-3.3 33,-0.3 36,-1.2 -0.877 15.2-164.5-108.1 128.0 61.6 0.6 1.2 100 117 A G E -cd 59 135A 1 -42,-2.5 -40,-2.9 -2,-0.5 2,-0.2 -0.827 8.3-169.5-104.6 144.9 61.3 0.5 4.9 101 118 A I E - d 0 136A 2 34,-2.6 36,-2.5 -2,-0.4 2,-0.4 -0.754 11.7-129.5-127.3 178.3 64.0 -0.7 7.3 102 119 A Y E + d 0 137A 0 -41,-0.3 2,-0.3 -2,-0.2 36,-0.2 -0.973 24.6 161.7-136.7 139.4 64.3 -1.5 11.0 103 120 A A E - d 0 138A 0 34,-2.3 36,-2.4 -2,-0.4 2,-0.5 -0.922 28.8-127.1-144.7 169.5 66.6 -0.6 13.9 104 121 A D E - d 0 139A 0 -2,-0.3 12,-3.1 10,-0.2 2,-1.5 -0.978 10.4-139.0-129.3 122.7 66.4 -0.7 17.7 105 122 A M B S+i 116 0C 2 34,-3.4 2,-0.3 -2,-0.5 12,-0.2 -0.637 81.7 48.5 -75.1 91.6 67.1 2.2 20.0 106 123 A G S S- 0 0 2 -2,-1.5 37,-0.2 10,-0.7 36,-0.2 -0.952 109.2 -61.4 159.7-175.2 69.0 0.1 22.6 107 124 A N S S+ 0 0 87 35,-2.4 8,-1.9 -2,-0.3 2,-0.3 0.847 114.1 6.6 -68.9 -37.3 71.8 -2.4 22.9 108 125 A F B S-J 114 0D 101 33,-0.3 -1,-0.1 6,-0.2 8,-0.1 -0.933 80.1-102.5-140.3 160.5 70.1 -5.1 20.8 109 126 A T > - 0 0 0 4,-2.5 3,-2.6 -2,-0.3 6,-0.1 -0.357 52.9 -93.0 -72.5 168.1 67.0 -5.5 18.7 110 127 A c T 3 S+ 0 0 35 1,-0.3 -1,-0.1 2,-0.1 32,-0.1 0.820 131.5 49.2 -56.3 -28.7 64.1 -7.3 20.3 111 128 A M T 3 S- 0 0 88 30,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.319 126.6-100.0 -93.1 7.8 65.4 -10.6 18.7 112 129 A G S < S+ 0 0 41 -3,-2.6 -2,-0.1 1,-0.3 3,-0.1 0.564 75.1 140.0 91.4 10.0 69.0 -9.9 19.9 113 130 A Y - 0 0 40 1,-0.2 -4,-2.5 -46,-0.0 -1,-0.3 -0.378 69.0 -59.5 -80.4 163.4 70.5 -8.4 16.7 114 131 A P B -J 108 0D 41 0, 0.0 -10,-0.2 0, 0.0 -6,-0.2 -0.150 62.6-141.7 -49.1 127.5 73.0 -5.5 16.8 115 132 A G - 0 0 6 -8,-1.9 2,-1.0 -3,-0.1 -10,-0.2 -0.503 13.2-119.3 -92.0 159.7 71.3 -2.4 18.3 116 133 A T B -i 105 0C 0 -12,-3.1 -10,-0.7 -2,-0.2 -8,-0.1 -0.798 40.4-171.3 -96.0 87.7 71.5 1.2 17.5 117 134 A T >> - 0 0 34 -2,-1.0 3,-2.3 -12,-0.2 4,-0.9 -0.229 41.8 -90.5 -72.2 168.9 72.9 2.6 20.7 118 135 A L G >4 S+ 0 0 46 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.864 128.3 52.6 -50.6 -42.6 73.1 6.4 21.4 119 136 A D G 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.519 111.8 47.3 -74.4 -3.8 76.6 6.6 19.9 120 137 A K G <> S+ 0 0 49 -3,-2.3 4,-2.7 2,-0.1 5,-0.3 0.493 84.1 93.5-110.4 -9.0 75.4 4.8 16.7 121 138 A V H S+ 0 0 63 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.932 116.0 48.5 -65.5 -47.4 73.8 9.4 13.7 123 140 A Q H > S+ 0 0 53 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 112.5 48.4 -60.0 -42.2 75.9 6.9 11.7 124 141 A D H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.905 110.6 50.9 -68.6 -41.3 72.9 4.5 11.3 125 142 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.928 112.3 47.4 -57.5 -46.2 70.7 7.3 10.0 126 143 A Q H X S+ 0 0 94 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 111.9 50.3 -63.7 -42.3 73.4 8.4 7.5 127 144 A T H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 110.3 49.9 -59.0 -48.2 73.8 4.7 6.4 128 145 A F H X>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 4,-0.5 0.904 112.6 46.8 -59.8 -43.1 70.0 4.4 5.9 129 146 A A H ><5S+ 0 0 14 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.897 110.3 52.7 -65.8 -41.7 69.9 7.6 3.9 130 147 A E H 3<5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.872 107.1 52.7 -60.8 -37.7 72.9 6.5 1.8 131 148 A W H 3<5S- 0 0 7 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.626 116.3-120.1 -71.5 -14.1 71.1 3.2 1.1 132 149 A K T <<5 + 0 0 102 -3,-1.0 -33,-0.3 -4,-0.5 -3,-0.2 0.793 49.2 171.1 73.2 33.7 68.1 5.3 -0.1 133 150 A V < - 0 0 0 -5,-2.2 -1,-0.2 1,-0.1 -33,-0.2 -0.357 23.2-159.5 -63.6 151.3 65.7 3.8 2.5 134 151 A D + 0 0 15 -35,-3.3 33,-2.6 1,-0.3 2,-0.3 0.533 68.1 25.2-115.0 -13.4 62.3 5.6 2.6 135 152 A M E -de 100 167A 2 -36,-1.2 -34,-2.6 31,-0.3 2,-0.4 -0.992 59.1-156.6-153.4 145.3 61.0 4.6 6.1 136 153 A L E -de 101 168A 0 31,-3.0 33,-3.3 -2,-0.3 2,-0.6 -0.995 3.6-160.7-127.9 128.8 62.5 3.6 9.5 137 154 A K E -de 102 169A 18 -36,-2.5 -34,-2.3 -2,-0.4 2,-0.7 -0.946 15.1-162.3 -99.0 120.0 60.8 1.6 12.2 138 155 A L E -de 103 170A 0 31,-3.1 33,-2.2 -2,-0.6 34,-0.3 -0.881 4.1-166.7-110.2 102.8 62.7 2.2 15.5 139 156 A D E -d 104 0A 14 -36,-2.4 -34,-3.4 -2,-0.7 33,-0.1 -0.258 12.3-146.9 -71.6 170.1 62.0 -0.4 18.2 140 157 A G > + 0 0 0 -36,-0.2 3,-0.5 31,-0.1 8,-0.1 0.011 41.5 139.4-137.6 30.2 63.1 0.2 21.8 141 158 A c T 3 + 0 0 28 1,-0.2 -33,-0.3 -35,-0.1 3,-0.1 -0.345 67.6 23.5 -66.7 156.6 64.0 -3.1 23.3 142 159 A F T 3 S+ 0 0 115 1,-0.2 -35,-2.4 -36,-0.2 2,-0.3 0.838 100.9 108.0 53.0 43.2 67.1 -3.3 25.6 143 160 A S < - 0 0 21 -3,-0.5 -1,-0.2 -37,-0.2 -37,-0.1 -0.955 66.1-118.7-140.2 159.1 67.1 0.4 26.5 144 161 A T > - 0 0 54 -2,-0.3 4,-2.0 -3,-0.1 3,-0.3 -0.575 34.6-107.7 -89.4 159.5 66.3 2.5 29.6 145 162 A P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.886 121.4 51.1 -52.3 -41.9 63.5 5.1 29.6 146 163 A E H > S+ 0 0 123 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.822 106.9 53.1 -68.5 -32.0 66.2 7.9 29.6 147 164 A E H > S+ 0 0 63 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.904 111.8 45.5 -66.6 -42.4 68.0 6.4 26.6 148 165 A R H X S+ 0 0 18 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.874 108.7 56.8 -65.5 -39.8 64.7 6.3 24.6 149 166 A A H < S+ 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.819 119.0 32.1 -62.3 -34.0 64.0 9.9 25.8 150 167 A Q H X S+ 0 0 121 -4,-1.4 4,-1.9 -5,-0.1 -2,-0.2 0.865 119.4 54.0 -83.3 -42.1 67.3 11.0 24.2 151 168 A G H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -3,-0.2 0.830 101.8 51.8 -70.1 -42.3 67.4 8.5 21.4 152 169 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.934 115.2 41.5 -65.5 -47.8 64.1 9.0 19.6 153 170 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.910 113.9 55.3 -61.9 -40.5 64.5 12.8 19.2 154 171 A K H X S+ 0 0 91 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.898 108.8 47.2 -56.3 -43.3 68.2 12.2 18.3 155 172 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.904 109.1 52.9 -67.7 -42.5 67.1 9.9 15.5 156 173 A A H X S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.922 113.2 44.7 -57.4 -45.4 64.5 12.2 14.1 157 174 A A H X S+ 0 0 63 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.877 113.0 50.8 -65.7 -40.7 67.1 15.0 14.0 158 175 A A H X S+ 0 0 9 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.871 110.2 49.0 -67.4 -38.6 69.7 12.7 12.4 159 176 A L H >< S+ 0 0 7 -4,-2.8 3,-0.6 2,-0.2 4,-0.5 0.917 111.9 50.2 -64.7 -43.0 67.3 11.5 9.7 160 177 A N H >< S+ 0 0 120 -4,-2.0 3,-1.8 -5,-0.2 -2,-0.2 0.931 104.7 57.0 -57.9 -48.5 66.5 15.1 9.0 161 178 A A H 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.721 94.8 66.6 -59.3 -24.6 70.2 16.1 8.7 162 179 A T T << S- 0 0 42 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.759 101.0-133.9 -67.3 -24.7 70.7 13.5 6.0 163 180 A G < + 0 0 66 -3,-1.8 -3,-0.1 -4,-0.5 -2,-0.1 0.296 68.6 117.2 85.6 -9.8 68.4 15.5 3.7 164 181 A R S S- 0 0 67 -5,-0.4 2,-0.4 2,-0.0 -1,-0.3 -0.802 72.2-119.8 -90.8 128.6 66.6 12.4 2.6 165 182 A P + 0 0 76 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.549 40.6 174.1 -63.9 118.5 62.8 12.3 3.4 166 183 A I - 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0 0 42 -3,-0.7 -3,-0.2 -4,-0.2 -2,-0.1 0.365 51.1-104.6 92.3 -4.7 52.6 2.2 28.9 178 195 A G S S- 0 0 42 -3,-0.4 4,-2.0 -6,-0.2 3,-0.5 -0.899 72.4 -58.5-133.2 156.8 49.6 6.9 28.3 180 197 A P T 4 S+ 0 0 67 0, 0.0 4,-0.1 0, 0.0 41,-0.0 -0.352 103.8 33.5 -59.2 152.4 50.2 10.2 30.2 181 198 A P T 4 S+ 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.990 129.6 36.2 -83.3 -14.8 52.0 11.2 32.3 182 199 A R T 4 S+ 0 0 156 -3,-0.5 2,-0.5 -6,-0.2 -5,-0.1 0.841 115.9 59.0 -68.0 -33.6 54.9 9.1 31.0 183 200 A V < - 0 0 9 -4,-2.0 2,-0.7 -7,-0.1 -1,-0.1 -0.860 69.1-162.0 -99.6 126.1 53.9 9.5 27.4 184 201 A Q > - 0 0 118 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.914 3.2-170.9-107.4 105.6 53.8 13.1 26.0 185 202 A Y H > S+ 0 0 14 -2,-0.7 4,-2.1 2,-0.2 -1,-0.1 0.766 83.0 56.4 -73.2 -26.4 51.8 13.0 22.8 186 203 A S H > S+ 0 0 91 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.918 110.7 46.4 -67.3 -43.4 52.5 16.6 21.7 187 204 A L H >> S+ 0 0 55 2,-0.2 4,-1.2 1,-0.2 3,-0.6 0.944 111.4 52.0 -58.8 -50.6 56.3 15.7 21.9 188 205 A L H >X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 3,-0.5 0.886 106.3 52.9 -53.4 -46.9 55.6 12.4 20.0 189 206 A A H 3< S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.782 107.7 53.4 -61.8 -29.3 53.8 14.2 17.1 190 207 A D H << S+ 0 0 117 -4,-1.1 -188,-0.5 -3,-0.6 -1,-0.2 0.780 120.4 29.9 -74.6 -29.1 56.7 16.6 16.7 191 208 A I H << S+ 0 0 18 -4,-1.2 2,-0.3 -3,-0.5 -2,-0.2 0.656 116.0 51.8-109.0 -17.3 59.3 13.8 16.4 192 209 A d < - 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0 0 8 -2,-0.4 4,-2.3 386,-0.3 388,-0.2 -0.249 40.8 -94.3 -72.4 173.9 37.6 -15.6 10.3 246 263 A L H > S+ 0 0 55 386,-0.3 4,-2.4 2,-0.2 5,-0.2 0.928 127.5 47.4 -57.3 -48.0 36.1 -13.8 7.3 247 264 A E H > S+ 0 0 23 383,-0.4 4,-1.8 1,-0.2 131,-0.2 0.907 113.8 47.8 -61.1 -42.8 33.8 -11.6 9.5 248 265 A Q H > S+ 0 0 2 382,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.827 109.8 53.2 -67.2 -33.7 36.8 -10.8 11.8 249 266 A S H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.943 110.9 45.2 -67.6 -48.9 38.9 -9.9 8.7 250 267 A R H X S+ 0 0 70 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.822 112.2 55.4 -60.2 -33.8 36.4 -7.5 7.4 251 268 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 125,-0.3 5,-0.2 0.918 105.9 47.9 -67.0 -48.0 36.0 -6.1 10.9 252 269 A Q H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.933 112.3 50.5 -60.5 -45.0 39.8 -5.3 11.4 253 270 A M H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.941 114.1 43.5 -56.3 -51.1 39.9 -3.6 8.0 254 271 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.886 117.2 45.9 -63.1 -41.4 36.8 -1.4 8.8 255 272 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.892 111.0 50.0 -75.2 -40.5 37.9 -0.6 12.3 256 273 A W H <>S+ 0 0 0 -4,-3.0 5,-2.7 -5,-0.2 -1,-0.2 0.892 110.8 54.3 -59.6 -38.3 41.6 0.2 11.4 257 274 A T H ><5S+ 0 0 0 -4,-1.9 3,-1.3 -5,-0.3 -2,-0.2 0.911 107.8 46.4 -63.8 -44.1 40.1 2.5 8.7 258 275 A V H 3<5S+ 0 0 0 -4,-1.9 39,-2.6 1,-0.3 -1,-0.2 0.771 110.0 55.4 -70.8 -23.0 37.8 4.4 11.2 259 276 A L T 3<5S- 0 0 7 -4,-1.5 -1,-0.3 37,-0.2 -27,-0.2 0.343 111.7-121.5 -86.5 5.6 40.8 4.8 13.5 260 277 A A T < 5 + 0 0 0 -3,-1.3 -28,-0.2 1,-0.2 -3,-0.2 0.902 56.4 167.0 49.9 44.3 42.9 6.4 10.7 261 278 A A < - 0 0 0 -5,-2.7 -1,-0.2 -6,-0.1 -28,-0.1 -0.486 44.2 -94.3 -80.8 154.7 45.4 3.6 11.3 262 279 A P - 0 0 1 0, 0.0 2,-0.8 0, 0.0 -251,-0.2 -0.409 30.9-135.3 -56.4 143.4 48.2 2.6 8.9 263 280 A L E +a 11 0A 0 -253,-2.0 -251,-2.3 -3,-0.1 2,-0.8 -0.745 41.3 161.6-102.7 77.6 47.2 -0.1 6.5 264 281 A L E -a 12 0A 5 -2,-0.8 -27,-2.4 -29,-0.2 -251,-0.2 -0.866 22.9-157.6-104.2 100.9 50.3 -2.2 6.9 265 282 A M E -a 13 0A 1 -253,-2.6 -251,-2.8 -2,-0.8 -27,-0.1 -0.256 12.8-173.8 -65.0 160.0 49.6 -5.8 5.7 266 283 A S + 0 0 0 -29,-0.4 2,-0.3 -27,-0.3 -251,-0.1 -0.563 42.6 104.2-157.3 87.5 51.8 -8.7 6.9 267 284 A T S S- 0 0 1 -2,-0.1 2,-1.2 -250,-0.1 -26,-0.1 -0.959 80.3 -78.3-161.1 162.7 50.8 -11.8 5.0 268 285 A D >> - 0 0 14 -2,-0.3 3,-1.2 -28,-0.3 4,-0.9 -0.637 37.9-174.2 -79.9 100.1 51.9 -14.0 2.2 269 286 A L T 34 S+ 0 0 2 -2,-1.2 -1,-0.2 1,-0.2 8,-0.0 0.645 79.2 67.6 -67.0 -16.0 51.0 -12.0 -1.0 270 287 A R T 34 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.774 115.8 22.7 -73.4 -27.1 52.1 -15.0 -3.1 271 288 A T T <4 S+ 0 0 111 -3,-1.2 -2,-0.2 -31,-0.1 -1,-0.2 0.361 85.5 141.7-122.7 1.5 49.2 -17.2 -1.8 272 289 A I < - 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