==== 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 3H55 . 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) . 29125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 68.7 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 . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 24.2 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 5 0 0 7 0 0 4 0 0 6 0 0 0 2 0 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 33 0, 0.0 2,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 131.4 56.9 15.0 12.2 2 19 A D + 0 0 164 188,-0.5 188,-0.1 1,-0.2 228,-0.0 -0.309 360.0 113.5 -89.0 53.9 57.1 18.0 9.9 3 20 A N S S- 0 0 39 -2,-1.4 -1,-0.2 2,-0.2 3,-0.1 0.158 89.1-109.7-108.3 14.5 59.0 16.3 7.0 4 21 A G S S+ 0 0 55 -3,-0.3 3,-0.3 1,-0.2 2,-0.2 0.452 80.2 123.8 73.5 1.6 56.2 16.5 4.5 5 22 A L + 0 0 33 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 -0.618 58.8 15.2-100.3 152.3 55.7 12.7 4.7 6 23 A L + 0 0 18 -2,-0.2 223,-2.6 1,-0.1 -1,-0.2 0.902 56.0 163.7 58.7 50.6 52.6 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 0.694 80.8 33.0 -69.2 -20.0 49.9 13.3 5.1 8 25 A T S S- 0 0 41 220,-0.1 282,-0.1 221,-0.1 3,-0.1 -0.887 118.1 -76.8-122.4 161.0 47.7 10.2 4.9 9 26 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.286 56.9-102.0 -59.8 143.2 48.4 7.0 6.9 10 27 A P - 0 0 4 0, 0.0 253,-1.4 0, 0.0 2,-0.4 -0.436 34.0-158.4 -68.3 133.4 51.2 4.8 5.3 11 28 A M E +a 263 0A 4 43,-0.4 46,-1.8 251,-0.2 45,-1.8 -0.942 38.1 94.2-111.1 137.0 50.0 1.8 3.3 12 29 A G E -ab 264 57A 0 251,-2.2 253,-2.7 -2,-0.4 2,-0.4 -0.946 65.6 -70.0 179.6-156.0 52.3 -1.2 2.7 13 30 A W E -ab 265 58A 0 44,-2.7 46,-3.0 -2,-0.3 2,-0.4 -0.983 31.2-165.1-131.6 138.8 53.6 -4.6 3.7 14 31 A L E - b 0 59A 7 251,-3.0 4,-0.4 -2,-0.4 46,-0.2 -0.980 15.5-144.1-127.1 139.2 55.7 -5.4 6.8 15 32 A A S > S+ 0 0 0 44,-1.7 4,-2.2 -2,-0.4 5,-0.5 0.761 77.4 79.5 -73.9 -26.0 57.5 -8.7 7.2 16 33 A W H > S+ 0 0 27 1,-0.2 4,-2.8 3,-0.2 -1,-0.1 0.878 83.1 48.5 -61.0 -61.2 57.2 -9.3 10.9 17 34 A E H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 186,-0.2 0.885 124.2 30.1 -52.5 -45.2 53.7 -10.7 11.8 18 35 A R H 4 S+ 0 0 25 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.2 0.851 134.0 26.4 -83.1 -36.1 53.7 -13.4 9.2 19 36 A F H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.1 -3,-0.2 0.641 80.3 172.5-112.3 -15.6 57.4 -14.3 8.8 20 37 A R T 3< - 0 0 26 -4,-2.8 -1,-0.1 -5,-0.5 41,-0.1 -0.041 65.6 -26.0 48.5-137.4 58.9 -13.3 12.2 21 38 A a T 3 S+ 0 0 35 11,-0.1 2,-0.9 43,-0.0 -1,-0.2 -0.286 81.2 152.3-107.3 44.8 62.5 -14.2 12.8 22 39 A N < + 0 0 24 -3,-1.4 11,-3.2 9,-0.2 -2,-0.0 -0.676 2.3 155.4 -80.1 105.6 62.8 -17.2 10.5 23 40 A I + 0 0 79 -2,-0.9 2,-1.7 9,-0.2 3,-0.2 0.202 34.4 112.7-115.8 10.7 66.5 -17.4 9.4 24 41 A N > + 0 0 62 1,-0.2 4,-2.7 4,-0.1 7,-0.2 -0.573 30.3 159.5 -86.6 76.5 66.6 -21.1 8.5 25 42 A b T 4 + 0 0 38 -2,-1.7 -1,-0.2 2,-0.2 7,-0.1 0.678 68.5 60.9 -75.5 -17.8 67.1 -20.6 4.8 26 43 A D T 4 S+ 0 0 160 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.957 118.8 25.9 -68.5 -53.0 68.5 -24.2 4.4 27 44 A E T 4 S+ 0 0 100 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.829 139.8 25.1 -77.5 -35.0 65.3 -25.8 5.7 28 45 A D >X + 0 0 25 -4,-2.7 3,-1.1 1,-0.1 4,-1.1 -0.503 64.8 158.6-135.5 63.5 62.8 -23.1 4.7 29 46 A P T 34 S+ 0 0 51 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 0.728 74.7 55.1 -63.7 -24.7 64.2 -21.0 1.8 30 47 A K T 34 S+ 0 0 130 1,-0.2 4,-0.1 6,-0.1 -5,-0.1 0.699 118.1 30.8 -81.1 -20.2 60.8 -19.7 0.6 31 48 A N T <4 S+ 0 0 37 -3,-1.1 -9,-0.2 -7,-0.2 -1,-0.2 0.360 90.1 109.5-125.4 1.5 59.8 -18.2 4.0 32 49 A b S < S- 0 0 1 -4,-1.1 2,-0.7 1,-0.1 5,-0.3 -0.470 83.6 -93.7 -78.9 153.3 63.0 -17.1 5.7 33 50 A I S S+ 0 0 2 -11,-3.2 2,-0.3 -14,-0.2 -1,-0.1 -0.588 77.3 126.9 -66.6 108.3 63.9 -13.4 6.1 34 51 A S S > S- 0 0 9 -2,-0.7 4,-1.8 1,-0.1 47,-0.2 -0.983 76.6 -94.2-160.9 162.9 66.0 -12.8 3.0 35 52 A E H > S+ 0 0 16 45,-3.2 4,-2.5 -2,-0.3 5,-0.2 0.915 122.3 55.3 -45.7 -52.2 66.7 -10.8 -0.1 36 53 A Q H > S+ 0 0 87 44,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.891 104.1 52.8 -51.9 -49.4 64.6 -13.3 -2.1 37 54 A L H > S+ 0 0 1 -5,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.921 112.6 43.8 -54.7 -49.3 61.5 -12.9 0.2 38 55 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.903 113.2 50.6 -67.8 -41.2 61.4 -9.2 -0.2 39 56 A M H X S+ 0 0 39 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.907 111.4 49.0 -61.3 -42.2 62.0 -9.2 -4.0 40 57 A E H X S+ 0 0 57 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.879 112.9 47.0 -67.4 -38.0 59.2 -11.8 -4.4 41 58 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.888 110.2 53.1 -68.1 -40.3 56.9 -9.6 -2.3 42 59 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.925 107.2 53.1 -58.2 -46.5 57.9 -6.5 -4.3 43 60 A D H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.898 110.4 46.5 -53.6 -47.3 57.0 -8.4 -7.5 44 61 A R H X S+ 0 0 54 -4,-1.7 4,-2.9 2,-0.2 6,-0.5 0.911 110.4 52.9 -65.0 -42.4 53.6 -9.2 -6.1 45 62 A M H < S+ 0 0 0 -4,-2.6 6,-2.6 1,-0.2 7,-0.4 0.899 115.0 41.4 -59.3 -40.0 53.0 -5.6 -5.0 46 63 A A H < S+ 0 0 16 -4,-2.3 3,-0.3 4,-0.2 -1,-0.2 0.834 124.5 35.5 -76.3 -34.6 53.9 -4.3 -8.5 47 64 A Q H < S+ 0 0 128 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.743 111.3 54.6 -94.3 -28.8 52.0 -7.0 -10.4 48 65 A D S < S- 0 0 52 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 0.095 113.5 -96.2-104.6 22.3 48.9 -7.8 -8.4 49 66 A G S > S+ 0 0 19 -3,-0.3 4,-1.5 -4,-0.2 6,-0.2 0.260 91.6 115.8 91.0 -11.5 47.3 -4.3 -8.0 50 67 A W H >>>S+ 0 0 0 -6,-0.5 5,-2.0 1,-0.2 3,-0.8 0.950 78.4 42.4 -58.6 -56.9 48.8 -3.5 -4.5 51 68 A R H >45S+ 0 0 74 -6,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.899 113.0 55.0 -56.6 -43.1 51.0 -0.6 -5.5 52 69 A D H 345S+ 0 0 118 -7,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.776 106.2 51.7 -63.0 -27.6 48.2 0.8 -7.7 53 70 A M H <<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.569 131.3 -90.6 -86.7 -10.4 45.8 0.8 -4.8 54 71 A G T <<5S+ 0 0 26 -3,-1.2 2,-1.1 -4,-0.7 -43,-0.4 0.302 84.6 130.9 121.0 -7.8 48.2 2.7 -2.6 55 72 A Y < + 0 0 0 -5,-2.0 -43,-0.3 -6,-0.2 -1,-0.2 -0.674 23.2 146.9 -78.3 100.3 50.3 -0.0 -0.8 56 73 A T + 0 0 38 -45,-1.8 42,-3.3 -2,-1.1 2,-0.4 0.636 34.8 87.9-115.8 -21.2 53.8 1.4 -1.5 57 74 A Y E -bc 12 98A 11 -46,-1.8 -44,-2.7 40,-0.2 2,-0.5 -0.702 46.8-170.8 -89.8 133.0 56.0 0.5 1.4 58 75 A L E -bc 13 99A 0 40,-2.5 42,-2.6 -2,-0.4 2,-0.5 -0.950 21.6-163.4-116.6 105.7 57.9 -2.8 1.6 59 76 A N E -bc 14 100A 8 -46,-3.0 -44,-1.7 -2,-0.5 2,-0.3 -0.822 16.0-150.7-108.1 127.8 59.3 -2.9 5.1 60 77 A I - 0 0 1 40,-2.9 77,-0.2 -2,-0.5 2,-0.1 -0.690 22.0-170.9 -80.7 136.1 62.0 -5.1 6.5 61 78 A D - 0 0 7 -2,-0.3 3,-0.5 1,-0.3 41,-0.3 -0.109 39.1 -29.1-108.2-148.6 61.6 -5.9 10.2 62 79 A D S S+ 0 0 3 1,-0.2 -1,-0.3 2,-0.1 41,-0.0 -0.089 109.9 44.5 -65.7 163.3 63.9 -7.6 12.8 63 80 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 -42,-0.1 14,-0.1 0.574 76.4 105.9 82.5 16.1 66.6 -10.2 12.0 64 81 A W + 0 0 0 -3,-0.5 13,-2.3 38,-0.1 2,-0.1 0.691 52.8 101.5 -91.3 -21.3 68.1 -8.6 8.9 65 82 A I E -H 76 0B 3 11,-0.3 3,-0.1 1,-0.1 12,-0.0 -0.382 41.4-179.9 -76.2 138.7 71.4 -7.5 10.5 66 83 A G E - 0 0 41 9,-3.7 2,-0.3 1,-0.4 -1,-0.1 0.684 55.7 -85.5-101.6 -28.8 74.6 -9.4 10.1 67 84 A G E -H 75 0B 13 8,-1.4 8,-2.8 47,-0.1 -1,-0.4 -0.980 48.0 -65.2 154.5-162.9 76.9 -7.2 12.2 68 85 A R E -H 74 0B 60 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.977 41.5-132.3-123.9 143.0 79.1 -4.1 12.0 69 86 A D > - 0 0 61 4,-2.5 3,-2.5 -2,-0.4 6,-0.0 -0.083 44.8 -77.0 -82.8-173.4 82.2 -3.6 9.9 70 87 A A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.697 134.1 49.4 -61.2 -21.1 85.6 -2.1 11.0 71 88 A S T 3 S- 0 0 95 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.343 122.1-105.9 -94.6 3.3 84.2 1.4 10.8 72 89 A G < + 0 0 9 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.575 69.3 154.7 80.3 11.2 81.1 0.4 12.9 73 90 A R - 0 0 77 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.574 47.9-110.8 -79.9 131.3 78.9 0.5 9.8 74 91 A L E -H 68 0B 1 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.309 35.6-167.7 -64.1 136.3 75.8 -1.7 9.9 75 92 A M E -H 67 0B 67 -8,-2.8 -9,-3.7 9,-0.0 -8,-1.4 -0.972 17.0-127.3-125.6 142.3 75.8 -4.7 7.6 76 93 A P E -H 65 0B 18 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.284 51.7 -75.5 -72.4 169.9 73.0 -7.1 6.5 77 94 A D > - 0 0 34 -13,-2.3 4,-2.7 1,-0.2 7,-0.2 -0.595 44.0-145.0 -66.3 120.1 73.4 -10.8 6.9 78 95 A P T 4 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.788 94.2 45.6 -63.8 -30.8 75.7 -11.7 4.0 79 96 A K T 4 S+ 0 0 186 1,-0.1 -2,-0.0 2,-0.1 -13,-0.0 0.864 120.5 37.3 -79.6 -36.5 74.1 -15.1 3.3 80 97 A R T 4 S+ 0 0 16 1,-0.3 -45,-3.2 -16,-0.1 -44,-0.4 0.727 130.0 32.3 -89.7 -24.1 70.5 -14.0 3.4 81 98 A F S >< S+ 0 0 3 -4,-2.7 3,-0.8 -47,-0.2 -1,-0.3 -0.591 71.8 164.6-126.7 69.6 71.1 -10.6 1.8 82 99 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.800 76.8 42.4 -63.3 -29.6 74.0 -11.4 -0.6 83 100 A H T 3 S- 0 0 119 1,-0.2 4,-0.4 2,-0.0 2,-0.0 0.587 109.7-126.9 -91.4 -12.9 73.7 -8.2 -2.7 84 101 A G <> - 0 0 14 -3,-0.8 4,-1.2 -7,-0.2 -1,-0.2 -0.140 30.2 -66.9 90.2 174.1 73.2 -5.9 0.2 85 102 A I H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.892 124.5 60.0 -74.2 -42.2 70.5 -3.3 1.0 86 103 A P H > S+ 0 0 47 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.914 105.7 52.2 -51.7 -42.8 71.2 -0.7 -1.7 87 104 A F H > S+ 0 0 67 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.918 112.4 44.6 -53.4 -48.4 70.5 -3.5 -4.3 88 105 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.913 114.0 49.3 -66.8 -42.7 67.2 -4.2 -2.5 89 106 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 -2,-0.2 0.936 112.7 47.3 -59.9 -48.8 66.3 -0.5 -2.3 90 107 A D H X S+ 0 0 87 -4,-3.2 4,-1.8 -5,-0.2 -2,-0.2 0.864 112.6 50.3 -61.0 -39.2 67.2 0.0 -6.0 91 108 A Y H X S+ 0 0 60 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.927 112.2 46.1 -63.2 -47.5 65.1 -3.0 -6.9 92 109 A V H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-0.9 0.914 112.5 50.6 -64.6 -42.6 62.1 -1.8 -4.9 93 110 A H H ><5S+ 0 0 56 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.843 102.2 61.2 -63.3 -34.5 62.4 1.7 -6.3 94 111 A S H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 104.3 50.4 -65.5 -21.5 62.5 0.3 -9.9 95 112 A L T <<5S- 0 0 37 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.249 124.2-103.7 -99.0 10.7 59.0 -1.1 -9.3 96 113 A G T < 5S+ 0 0 49 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.719 83.6 121.1 76.3 23.7 57.6 2.2 -8.0 97 114 A L < - 0 0 5 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.632 56.9-126.6-114.5 171.4 57.8 1.1 -4.4 98 115 A K E -c 57 0A 81 -42,-3.3 -40,-2.5 -2,-0.2 2,-0.5 -0.866 18.8-133.0-117.9 152.8 59.5 2.4 -1.2 99 116 A L E -c 58 0A 0 -2,-0.3 35,-3.2 33,-0.3 36,-1.1 -0.911 15.4-165.8-114.2 131.6 61.7 0.4 1.2 100 117 A G E -cd 59 135A 0 -42,-2.6 -40,-2.9 -2,-0.5 2,-0.3 -0.835 6.4-169.1-110.5 151.1 61.5 0.4 5.0 101 118 A I E - d 0 136A 2 34,-2.5 36,-2.4 -2,-0.3 2,-0.4 -0.825 13.1-127.8-134.0 173.1 64.0 -0.9 7.4 102 119 A Y E + d 0 137A 2 -41,-0.3 2,-0.3 -2,-0.3 36,-0.2 -0.963 25.9 161.4-130.9 138.4 64.3 -1.7 11.1 103 120 A A E - d 0 138A 0 34,-2.4 36,-2.8 -2,-0.4 2,-0.4 -0.915 28.4-127.2-143.9 170.5 66.6 -0.7 13.9 104 121 A D E - d 0 139A 0 -2,-0.3 12,-3.2 10,-0.2 2,-1.4 -0.989 9.5-139.0-132.0 125.8 66.5 -0.7 17.7 105 122 A M B S+i 116 0C 2 34,-3.3 2,-0.3 -2,-0.4 12,-0.2 -0.686 81.8 46.5 -77.4 89.5 67.2 2.2 20.0 106 123 A G S S- 0 0 2 -2,-1.4 37,-0.2 10,-0.8 36,-0.2 -0.963 109.7 -57.5 159.9-174.0 69.2 0.2 22.6 107 124 A N S S+ 0 0 89 35,-2.4 8,-1.9 -2,-0.3 2,-0.3 0.841 113.6 2.3 -67.4 -36.3 71.9 -2.5 23.0 108 125 A F B S-J 114 0D 97 33,-0.3 -1,-0.1 6,-0.2 8,-0.1 -0.946 78.4 -99.8-144.2 160.6 70.2 -5.1 20.8 109 126 A T > - 0 0 0 4,-3.0 3,-2.3 -2,-0.3 6,-0.1 -0.344 53.6 -94.7 -69.7 167.4 67.1 -5.5 18.6 110 127 A c T 3 S+ 0 0 42 1,-0.3 -1,-0.1 2,-0.1 32,-0.1 0.825 131.1 50.0 -58.1 -28.9 64.2 -7.4 20.4 111 128 A M T 3 S- 0 0 96 30,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.355 127.1-100.9 -89.8 5.6 65.6 -10.6 18.7 112 129 A G S < S+ 0 0 40 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.585 73.9 141.9 91.8 11.9 69.1 -9.9 19.9 113 130 A Y - 0 0 42 1,-0.2 -4,-3.0 -46,-0.0 -1,-0.3 -0.458 68.3 -61.9 -80.6 158.3 70.7 -8.5 16.7 114 131 A P B -J 108 0D 43 0, 0.0 -6,-0.2 0, 0.0 -10,-0.2 -0.083 61.8-139.2 -45.9 127.8 73.1 -5.5 16.9 115 132 A G - 0 0 6 -8,-1.9 2,-1.0 -3,-0.1 -10,-0.2 -0.479 12.3-119.1 -90.1 161.1 71.4 -2.4 18.4 116 133 A T B -i 105 0C 1 -12,-3.2 -10,-0.8 -2,-0.1 -8,-0.1 -0.828 41.2-171.0 -96.6 89.5 71.6 1.2 17.5 117 134 A T >> - 0 0 36 -2,-1.0 3,-2.5 -12,-0.2 4,-0.8 -0.297 41.2 -90.2 -75.0 168.3 73.0 2.7 20.7 118 135 A L G >4 S+ 0 0 44 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.859 128.0 51.8 -49.4 -44.4 73.2 6.4 21.3 119 136 A D G 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.473 111.7 48.2 -74.6 -1.3 76.7 6.7 19.8 120 137 A K G <> S+ 0 0 48 -3,-2.5 4,-2.9 2,-0.1 5,-0.3 0.462 84.0 93.5-112.8 -7.3 75.6 4.8 16.6 121 138 A V H S+ 0 0 64 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.952 116.7 48.2 -66.1 -50.3 74.0 9.4 13.6 123 140 A Q H > S+ 0 0 54 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 113.3 47.6 -55.0 -45.3 76.1 6.8 11.7 124 141 A D H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.902 110.6 51.4 -68.8 -39.4 73.2 4.4 11.3 125 142 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.919 111.4 48.1 -59.0 -44.6 70.9 7.3 10.0 126 143 A Q H X S+ 0 0 97 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.896 110.9 51.5 -63.7 -39.1 73.6 8.2 7.5 127 144 A T H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 109.6 49.0 -62.8 -47.5 73.9 4.6 6.4 128 145 A F H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.4 0.888 112.7 47.9 -60.9 -41.2 70.1 4.2 5.9 129 146 A A H ><5S+ 0 0 15 -4,-2.1 3,-0.9 2,-0.2 -1,-0.2 0.890 110.3 51.6 -66.9 -40.7 70.0 7.5 3.8 130 147 A E H 3<5S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 108.3 52.0 -62.4 -37.8 73.0 6.3 1.7 131 148 A W T 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.596 116.2-120.9 -71.6 -13.7 71.2 3.1 1.1 132 149 A K T < 5 + 0 0 100 -3,-0.9 -33,-0.3 -4,-0.4 -3,-0.2 0.803 48.2 172.2 70.9 34.6 68.2 5.2 -0.1 133 150 A V < - 0 0 0 -5,-2.4 -1,-0.2 1,-0.1 -33,-0.2 -0.396 22.7-159.3 -64.7 148.2 65.8 3.7 2.6 134 151 A D + 0 0 11 -35,-3.2 33,-2.6 1,-0.3 2,-0.3 0.526 68.3 27.0-111.2 -12.5 62.4 5.4 2.7 135 152 A M E -de 100 167A 4 -36,-1.1 -34,-2.5 31,-0.3 2,-0.4 -0.987 58.7-157.4-153.6 141.6 61.2 4.5 6.2 136 153 A L E -de 101 168A 0 31,-2.9 33,-3.2 -2,-0.3 2,-0.6 -0.989 3.4-161.3-124.3 128.3 62.7 3.6 9.5 137 154 A K E -de 102 169A 20 -36,-2.4 -34,-2.4 -2,-0.4 2,-0.7 -0.948 14.7-162.5-100.2 114.8 61.0 1.6 12.3 138 155 A L E -de 103 170A 0 31,-2.8 33,-2.0 -2,-0.6 34,-0.3 -0.872 5.8-164.8-106.3 104.3 62.9 2.3 15.5 139 156 A D E -d 104 0A 18 -36,-2.8 -34,-3.3 -2,-0.7 33,-0.1 -0.285 13.3-142.5 -78.9 168.9 62.2 -0.3 18.2 140 157 A G > + 0 0 0 -36,-0.2 3,-0.5 31,-0.2 8,-0.1 0.158 44.3 136.6-128.4 20.6 63.1 0.3 21.8 141 158 A c T 3 + 0 0 23 1,-0.2 -33,-0.3 -35,-0.1 3,-0.1 -0.222 67.5 20.8 -64.3 157.2 64.2 -3.1 23.4 142 159 A F T 3 S+ 0 0 114 -36,-0.2 -35,-2.4 1,-0.2 2,-0.3 0.814 101.0 106.3 51.8 42.2 67.3 -3.3 25.6 143 160 A S < - 0 0 22 -3,-0.5 -1,-0.2 -37,-0.2 -37,-0.1 -0.890 66.0-116.7-136.6 168.1 67.3 0.4 26.6 144 161 A T > - 0 0 56 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.640 34.4-107.9 -97.0 162.1 66.5 2.6 29.6 145 162 A P H > S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.880 121.6 49.8 -55.8 -39.5 63.7 5.3 29.6 146 163 A E H > S+ 0 0 126 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.810 107.4 53.9 -71.1 -30.4 66.3 8.1 29.6 147 164 A E H > S+ 0 0 65 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.920 111.4 45.4 -66.2 -44.3 68.2 6.5 26.7 148 165 A R H X S+ 0 0 16 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.898 108.4 57.5 -63.3 -41.5 64.9 6.4 24.7 149 166 A A H < S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 118.1 32.8 -61.3 -32.5 64.2 10.0 25.8 150 167 A Q H X S+ 0 0 121 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.870 118.8 53.9 -83.5 -42.8 67.5 11.1 24.2 151 168 A G H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -3,-0.2 0.814 101.8 51.8 -70.5 -40.8 67.6 8.6 21.4 152 169 A Y H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.934 114.7 42.5 -66.6 -46.4 64.3 9.1 19.6 153 170 A P H > S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.905 113.8 54.5 -61.3 -41.0 64.7 12.9 19.2 154 171 A K H X S+ 0 0 92 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.863 109.2 47.2 -58.7 -40.7 68.4 12.3 18.3 155 172 A M H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.902 108.7 52.9 -71.5 -42.5 67.3 9.9 15.5 156 173 A A H X S+ 0 0 12 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.910 114.1 44.8 -56.5 -42.3 64.6 12.3 14.1 157 174 A A H X S+ 0 0 62 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.873 112.4 50.6 -68.9 -41.1 67.3 15.0 13.9 158 175 A A H X S+ 0 0 10 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.895 111.1 48.7 -65.5 -41.3 70.0 12.6 12.4 159 176 A L H >< S+ 0 0 7 -4,-2.9 3,-0.6 2,-0.2 4,-0.5 0.911 111.3 50.4 -63.0 -44.3 67.5 11.5 9.7 160 177 A N H >< S+ 0 0 121 -4,-1.9 3,-1.8 -5,-0.2 -2,-0.2 0.929 105.6 56.3 -58.7 -47.0 66.6 15.1 8.9 161 178 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.708 94.3 67.0 -61.1 -24.4 70.3 16.1 8.6 162 179 A T T << S- 0 0 41 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.729 101.6-133.3 -68.6 -21.1 70.9 13.4 5.9 163 180 A G < + 0 0 67 -3,-1.8 -3,-0.1 -4,-0.5 -2,-0.1 0.297 67.9 118.9 83.7 -10.1 68.6 15.4 3.6 164 181 A R S S- 0 0 70 -5,-0.4 2,-0.5 1,-0.0 -1,-0.3 -0.774 71.9-118.8 -88.9 129.5 66.7 12.3 2.5 165 182 A P + 0 0 78 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.562 42.4 173.6 -61.8 115.8 63.0 12.2 3.3 166 183 A I - 0 0 5 -2,-0.5 -31,-0.3 -161,-0.0 2,-0.1 -0.963 30.7-129.6-132.4 115.7 62.6 9.1 5.6 167 184 A A E -e 135 0A 0 -33,-2.6 -31,-2.9 -2,-0.4 2,-0.6 -0.419 25.1-143.0 -61.9 132.4 59.3 8.3 7.3 168 185 A F E -e 136 0A 0 -33,-0.2 25,-2.5 -2,-0.1 26,-1.3 -0.902 18.2-175.5-113.0 111.7 59.9 7.8 11.0 169 186 A S E -ef 137 194A 4 -33,-3.2 -31,-2.8 -2,-0.6 2,-0.4 -0.945 14.2-164.2-103.8 116.2 58.0 5.1 12.8 170 187 A d E -ef 138 195A 0 24,-2.6 26,-2.2 -2,-0.6 -31,-0.2 -0.833 24.9-171.2-108.8 138.5 58.7 5.1 16.6 171 188 A S >> + 0 0 3 -33,-2.0 4,-1.0 -2,-0.4 3,-0.7 0.337 57.3 113.3-102.2 4.4 58.0 2.4 19.2 172 189 A W G >4 S+ 0 0 32 -34,-0.3 3,-0.8 1,-0.2 4,-0.4 0.845 72.3 49.3 -43.9 -53.7 58.9 4.7 22.1 173 190 A P G >4>S+ 0 0 2 0, 0.0 5,-2.2 0, 0.0 3,-1.2 0.823 101.5 63.2 -65.8 -31.5 55.4 5.1 23.7 174 191 A A G X45S+ 0 0 32 22,-1.4 3,-0.8 -3,-0.7 -2,-0.2 0.846 102.5 51.3 -56.1 -35.8 54.8 1.3 23.8 175 192 A Y G <<5S+ 0 0 77 -4,-1.0 -1,-0.2 -3,-0.8 -3,-0.1 0.584 109.9 49.8 -80.2 -9.6 57.8 0.9 26.1 176 193 A E G < 5S- 0 0 15 -3,-1.2 3,-0.4 -4,-0.4 -1,-0.2 0.133 126.1 -91.5-115.1 16.4 56.4 3.6 28.5 177 194 A G T < 5 - 0 0 39 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.335 53.3-102.1 91.2 -7.8 52.8 2.3 28.9 178 195 A G S > S- 0 0 41 -3,-0.4 4,-1.9 -6,-0.2 3,-0.6 -0.897 73.0 -57.2-135.5 157.2 49.8 7.0 28.2 180 197 A P T 34 S+ 0 0 68 0, 0.0 4,-0.1 0, 0.0 41,-0.0 -0.361 104.5 33.1 -60.4 152.5 50.3 10.3 30.1 181 198 A P T 34 S+ 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.994 129.6 38.3 -80.2 -13.2 52.2 11.3 32.2 182 199 A R T <4 S+ 0 0 170 -3,-0.6 2,-0.5 -6,-0.2 -5,-0.1 0.850 115.2 56.8 -70.9 -34.1 55.0 9.1 30.9 183 200 A V < - 0 0 8 -4,-1.9 2,-0.7 -7,-0.1 -1,-0.1 -0.869 69.1-161.3 -97.9 127.1 54.1 9.6 27.2 184 201 A Q > - 0 0 121 -2,-0.5 4,-2.3 1,-0.1 5,-0.1 -0.922 5.1-172.2-106.8 105.6 54.0 13.1 25.9 185 202 A Y H > S+ 0 0 14 -2,-0.7 4,-2.3 2,-0.2 -1,-0.1 0.780 81.8 56.3 -75.0 -28.6 52.0 13.1 22.7 186 203 A S H > S+ 0 0 93 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.904 111.3 46.5 -65.4 -40.9 52.7 16.6 21.6 187 204 A L H >> S+ 0 0 57 2,-0.2 4,-0.9 1,-0.2 3,-0.9 0.950 111.8 50.3 -62.7 -51.7 56.4 15.8 21.8 188 205 A L H >X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.3 3,-1.0 0.892 106.1 55.8 -51.8 -47.0 56.0 12.5 19.9 189 206 A A H 3< S+ 0 0 15 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.772 106.0 52.8 -60.0 -27.7 54.0 14.3 17.1 190 207 A D H << S+ 0 0 118 -4,-0.9 -188,-0.5 -3,-0.9 -1,-0.3 0.709 120.6 30.1 -79.2 -22.5 57.0 16.7 16.6 191 208 A I H << S+ 0 0 19 -3,-1.0 2,-0.3 -4,-0.9 -2,-0.2 0.589 115.4 51.6-115.2 -12.1 59.5 13.9 16.2 192 209 A d < - 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0 0 7 -2,-0.4 4,-2.1 386,-0.3 388,-0.2 -0.240 41.1 -94.5 -71.6 172.8 37.6 -15.6 10.2 246 263 A L H > S+ 0 0 54 386,-0.3 4,-2.4 2,-0.2 5,-0.2 0.931 126.8 47.6 -56.8 -48.7 36.1 -13.8 7.2 247 264 A E H > S+ 0 0 23 383,-0.4 4,-2.2 1,-0.2 131,-0.2 0.885 113.1 48.9 -60.7 -40.5 33.8 -11.6 9.4 248 265 A Q H > S+ 0 0 2 382,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.841 109.3 52.5 -68.2 -35.7 36.8 -10.8 11.6 249 266 A S H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 111.4 45.9 -66.3 -47.4 39.0 -9.9 8.6 250 267 A R H X S+ 0 0 70 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.889 112.5 54.1 -59.9 -38.9 36.4 -7.5 7.3 251 268 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 125,-0.3 5,-0.2 0.928 106.9 47.9 -62.3 -49.4 36.1 -6.2 10.9 252 269 A Q H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.920 111.9 50.8 -60.8 -41.6 39.8 -5.4 11.4 253 270 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.910 113.7 44.4 -60.1 -45.0 40.0 -3.6 8.0 254 271 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.900 115.9 46.2 -67.4 -42.1 36.9 -1.5 8.8 255 272 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.883 111.6 49.5 -73.5 -40.8 38.1 -0.6 12.4 256 273 A W H <>S+ 0 0 1 -4,-2.7 5,-2.6 -5,-0.2 -1,-0.2 0.887 111.5 53.2 -60.1 -38.1 41.7 0.2 11.4 257 274 A T H ><5S+ 0 0 0 -4,-1.6 3,-1.4 -5,-0.3 -2,-0.2 0.921 108.6 46.2 -66.9 -43.3 40.2 2.4 8.7 258 275 A V H 3<5S+ 0 0 0 -4,-2.2 39,-2.4 1,-0.3 -1,-0.2 0.754 110.3 55.5 -70.9 -21.1 37.9 4.4 11.1 259 276 A L T 3<5S- 0 0 7 -4,-1.4 -1,-0.3 37,-0.2 -27,-0.2 0.316 111.5-122.0 -88.5 7.4 40.9 4.8 13.5 260 277 A A T < 5 + 0 0 0 -3,-1.4 -28,-0.2 1,-0.2 -3,-0.2 0.906 56.7 164.8 48.6 44.9 43.0 6.4 10.7 261 278 A A < - 0 0 0 -5,-2.6 -1,-0.2 -6,-0.1 -28,-0.1 -0.551 45.5 -93.2 -84.7 154.6 45.5 3.6 11.2 262 279 A P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 -251,-0.2 -0.396 30.5-134.7 -55.4 139.2 48.3 2.6 8.9 263 280 A L E +a 11 0A 0 -253,-1.4 -251,-2.2 -254,-0.1 2,-0.8 -0.726 41.7 162.0 -98.2 76.5 47.2 -0.2 6.5 264 281 A L E -a 12 0A 6 -2,-0.9 -27,-2.4 -253,-0.2 -251,-0.2 -0.873 21.8-159.3-101.0 102.2 50.4 -2.3 6.9 265 282 A M E -a 13 0A 0 -253,-2.7 -251,-3.0 -2,-0.8 2,-0.1 -0.321 13.3-172.9 -69.5 159.9 49.7 -5.8 5.7 266 283 A S + 0 0 0 -29,-0.5 2,-0.3 -27,-0.3 -251,-0.1 -0.578 41.8 107.4-155.2 88.1 51.8 -8.8 6.8 267 284 A T S S- 0 0 1 -2,-0.1 2,-1.2 -250,-0.1 -26,-0.1 -0.951 79.0 -80.9-157.6 161.4 50.8 -11.8 4.9 268 285 A D >> - 0 0 14 -2,-0.3 3,-1.3 -28,-0.3 4,-0.8 -0.656 37.9-173.8 -78.6 100.7 52.0 -14.1 2.1 269 286 A L T 34 S+ 0 0 2 -2,-1.2 -1,-0.2 1,-0.3 8,-0.0 0.633 79.5 68.3 -68.8 -14.1 51.1 -12.1 -1.0 270 287 A R T 34 S+ 0 0 63 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.779 116.2 21.6 -73.0 -26.5 52.2 -15.1 -3.1 271 288 A T T <4 S+ 0 0 112 -3,-1.3 -2,-0.2 -31,-0.1 -1,-0.2 0.285 85.2 141.2-126.9 6.5 49.3 -17.2 -1.8 272 289 A I < - 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