==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-04 1W1B . COMPND 2 MOLECULE: PROBABLE POLYSACCHARIDE DEACETYLASE PDAA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.E.BLAIR,D.M.F.VAN AALTEN . 469 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 0 0 2 0 1 6 5 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 2 4 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 24 1 V 0 0 128 0, 0.0 2,-0.1 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 168.3 81.9 3.5 18.2 2 25 1 P - 0 0 73 0, 0.0 147,-1.9 0, 0.0 146,-0.5 0.295 360.0-176.0 -52.1 140.2 80.1 1.7 16.6 3 26 1 N + 0 0 57 145,-0.2 144,-0.0 144,-0.2 3,-0.0 -0.356 21.2 151.1-114.7 47.6 80.8 4.0 13.7 4 27 1 E - 0 0 142 1,-0.1 144,-0.2 0, 0.0 142,-0.1 -0.724 52.8-109.5 -83.3 122.6 78.5 2.5 11.1 5 28 1 P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 142,-0.2 -0.203 40.4-178.6 -53.3 135.3 77.3 5.2 8.6 6 29 1 I E -A 146 0A 47 140,-2.5 140,-2.9 -3,-0.0 2,-0.5 -0.998 16.4-149.8-138.4 136.7 73.7 6.1 8.9 7 30 1 N E -A 145 0A 100 -2,-0.4 138,-0.2 138,-0.2 2,-0.2 -0.937 25.8-119.1-108.9 125.5 71.7 8.6 6.8 8 31 1 W + 0 0 17 136,-3.0 2,-0.3 -2,-0.5 137,-0.0 -0.468 58.4 133.7 -64.1 129.5 68.8 10.4 8.5 9 32 1 G + 0 0 37 -2,-0.2 2,-0.3 12,-0.1 155,-0.0 -0.955 24.4 174.5-165.9 169.2 65.7 9.5 6.6 10 33 1 F - 0 0 42 -2,-0.3 2,-0.4 3,-0.0 11,-0.1 -0.938 45.2 -82.4-178.0 156.7 62.1 8.4 7.2 11 34 1 K - 0 0 172 9,-0.6 9,-0.4 -2,-0.3 3,-0.1 -0.609 64.3-106.4 -71.6 129.0 58.8 7.7 5.5 12 35 1 R - 0 0 154 -2,-0.4 8,-0.1 1,-0.1 -1,-0.1 -0.032 40.7 -81.4 -56.4 159.1 57.2 11.1 5.0 13 36 1 S - 0 0 12 152,-0.4 2,-0.3 176,-0.1 -1,-0.1 -0.328 46.6-170.1 -62.9 140.7 54.3 12.3 7.1 14 37 1 V > + 0 0 92 3,-0.5 3,-1.6 -3,-0.1 175,-0.0 -0.977 67.4 9.5-133.2 144.1 50.8 11.1 5.9 15 38 1 N T 3 S- 0 0 133 -2,-0.3 174,-0.1 1,-0.3 -1,-0.1 0.609 124.6 -71.4 63.7 12.1 47.4 12.4 7.2 16 39 1 H T 3 S+ 0 0 77 172,-0.3 -1,-0.3 1,-0.3 173,-0.1 0.813 101.1 137.2 70.3 31.0 49.2 15.2 9.0 17 40 1 Q < - 0 0 118 -3,-1.6 -3,-0.5 174,-0.2 -1,-0.3 -0.812 64.6 -97.4-106.7 148.0 50.5 12.7 11.4 18 41 1 P - 0 0 41 0, 0.0 -4,-0.1 0, 0.0 175,-0.1 -0.399 41.9-122.3 -63.5 136.9 54.1 12.7 12.7 19 42 1 P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.248 19.4-132.5 -74.1 172.6 56.4 10.3 10.8 20 43 1 D - 0 0 100 -9,-0.4 -9,-0.6 -8,-0.1 3,-0.1 -0.996 8.3-157.6-131.0 133.2 58.3 7.6 12.5 21 44 1 A - 0 0 15 -2,-0.4 4,-0.4 1,-0.2 3,-0.1 0.572 56.4 -94.3 -83.5 -11.9 61.9 6.8 12.0 22 45 1 G > - 0 0 26 2,-0.1 4,-3.4 1,-0.1 5,-0.3 0.027 29.8 -87.7 107.9 143.1 61.7 3.2 13.2 23 46 1 K H > S+ 0 0 175 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.836 126.5 54.6 -49.7 -37.2 62.3 1.4 16.5 24 47 1 Q H > S+ 0 0 159 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 114.6 35.2 -65.3 -52.4 65.9 1.1 15.5 25 48 1 L H > S+ 0 0 29 -4,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.890 113.5 59.0 -70.7 -41.2 66.6 4.8 14.9 26 49 1 N H X S+ 0 0 24 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.916 106.0 50.1 -54.4 -43.4 64.4 5.9 17.6 27 50 1 S H X S+ 0 0 59 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.940 112.2 44.9 -61.5 -50.0 66.4 3.9 20.1 28 51 1 L H X S+ 0 0 21 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.913 113.0 53.8 -60.3 -42.8 69.8 5.3 18.9 29 52 1 I H >< S+ 0 0 11 -4,-3.1 3,-1.4 1,-0.2 5,-0.4 0.965 112.2 41.5 -54.1 -60.5 68.3 8.8 18.9 30 53 1 E H 3< S+ 0 0 139 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 102.1 69.6 -57.5 -40.2 67.1 8.7 22.5 31 54 1 K H 3< S+ 0 0 133 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.806 113.2 27.1 -50.7 -29.8 70.3 7.0 23.6 32 55 1 Y S << S- 0 0 18 -3,-1.4 2,-1.5 -4,-0.9 120,-0.1 -0.557 107.1 -76.6-121.8-172.6 71.9 10.3 22.9 33 56 1 D S S+ 0 0 64 118,-0.2 128,-2.7 126,-0.2 2,-0.3 -0.712 87.1 112.8 -90.7 87.3 71.0 14.0 22.8 34 57 1 A E +b 161 0B 8 -2,-1.5 2,-0.3 -5,-0.4 128,-0.2 -0.966 33.7 167.6-159.4 141.5 69.2 13.9 19.5 35 58 1 F E -b 162 0B 12 126,-1.7 128,-3.2 -2,-0.3 3,-0.1 -0.975 26.3-166.3-151.7 163.4 65.7 14.4 18.1 36 59 1 Y S S+ 0 0 17 -2,-0.3 159,-0.5 126,-0.2 2,-0.3 0.369 78.6 51.9-129.9 -5.1 63.7 14.9 14.9 37 60 1 L - 0 0 32 157,-0.1 157,-0.2 127,-0.1 -1,-0.1 -0.941 60.2-157.9-133.0 155.1 60.3 15.9 16.4 38 61 1 G - 0 0 17 155,-3.2 2,-1.2 -2,-0.3 -2,-0.1 0.114 66.6 -23.0-103.5-138.2 59.2 18.5 18.9 39 62 1 N > - 0 0 58 1,-0.2 3,-1.2 155,-0.1 5,-0.5 -0.613 55.6-179.0 -79.9 99.5 56.0 18.5 20.9 40 63 1 T T 3 S+ 0 0 45 -2,-1.2 -1,-0.2 1,-0.2 154,-0.1 0.622 74.9 72.0 -73.1 -10.6 53.6 16.2 18.9 41 64 1 K T 3 S+ 0 0 173 -3,-0.1 2,-0.3 152,-0.1 -1,-0.2 0.658 99.7 47.2 -79.4 -15.8 50.9 16.8 21.5 42 65 1 E S < S- 0 0 59 -3,-1.2 2,-2.2 2,-0.1 151,-0.5 -0.873 94.3-103.2-125.2 159.2 50.4 20.4 20.3 43 66 1 K S S+ 0 0 98 -2,-0.3 179,-2.8 149,-0.2 2,-0.4 -0.485 71.4 136.8 -79.6 71.9 49.9 22.1 16.9 44 67 1 T E -c 222 0B 2 -2,-2.2 149,-1.6 -5,-0.5 150,-0.6 -0.926 35.4-166.7-124.6 146.3 53.4 23.5 16.8 45 68 1 I E -cd 223 194B 0 177,-2.1 179,-2.3 -2,-0.4 2,-0.5 -0.965 7.7-154.6-129.8 143.7 56.0 23.6 14.0 46 69 1 Y E -cd 224 195B 2 148,-2.7 150,-2.2 -2,-0.4 2,-0.4 -0.980 12.8-147.8-122.8 116.4 59.7 24.5 14.3 47 70 1 L E + d 0 196B 2 177,-0.6 26,-1.1 -2,-0.5 2,-0.3 -0.719 21.0 173.6 -87.4 128.7 61.4 25.9 11.2 48 71 1 T E -ed 73 197B 0 148,-1.6 150,-2.6 -2,-0.4 2,-0.3 -0.935 12.1-156.6-129.8 155.8 65.1 25.1 10.6 49 72 1 F E -ed 74 198B 1 24,-2.8 26,-3.8 -2,-0.3 2,-0.5 -0.971 11.6-145.6-133.5 147.1 67.4 25.9 7.7 50 73 1 D E -e 75 0B 20 148,-1.9 2,-0.5 -2,-0.3 150,-0.4 -0.960 20.7-171.9-109.6 126.9 70.6 24.4 6.2 51 74 1 N E +e 76 0B 2 24,-3.3 26,-1.6 -2,-0.5 29,-0.2 -0.902 26.7 146.6-126.9 104.5 72.8 27.1 4.8 52 75 1 G S S- 0 0 29 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.666 75.8 -2.8-104.6 -26.7 75.9 26.0 2.8 53 76 1 Y S S- 0 0 96 26,-0.1 2,-0.4 27,-0.1 -1,-0.4 -0.970 72.4-110.4-158.2 164.5 76.0 28.8 0.2 54 77 1 E + 0 0 34 -2,-0.3 147,-0.1 -3,-0.1 -3,-0.0 -0.849 24.0 174.3-107.2 138.9 73.9 31.8 -0.8 55 78 1 N - 0 0 67 -2,-0.4 -1,-0.1 145,-0.3 146,-0.0 0.028 65.5 -85.1-128.4 24.5 71.9 32.1 -4.0 56 79 1 G S S+ 0 0 44 1,-0.0 4,-0.2 4,-0.0 145,-0.1 0.383 106.6 83.5 94.7 -2.3 70.2 35.5 -3.3 57 80 1 Y > + 0 0 47 143,-0.6 4,-2.1 2,-0.1 3,-0.4 0.550 56.2 91.8-113.1 -8.0 67.1 34.8 -1.2 58 81 1 T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 85.3 57.6 -56.9 -37.9 68.1 34.6 2.4 59 82 1 P H > S+ 0 0 47 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.930 109.3 45.6 -58.8 -42.1 67.5 38.3 3.0 60 83 1 K H > S+ 0 0 93 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.871 109.8 54.0 -67.7 -37.9 63.9 37.8 1.8 61 84 1 V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.921 110.0 47.7 -62.6 -40.9 63.5 34.7 4.0 62 85 1 L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.887 111.5 50.9 -65.8 -38.1 64.7 36.8 7.0 63 86 1 D H X S+ 0 0 77 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.894 111.2 48.6 -64.0 -41.1 62.2 39.5 6.0 64 87 1 V H X S+ 0 0 12 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.948 110.9 48.9 -63.8 -50.3 59.4 36.9 5.8 65 88 1 L H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 4,-0.4 0.881 113.2 48.4 -57.0 -41.0 60.3 35.4 9.2 66 89 1 K H ><5S+ 0 0 119 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.940 109.0 53.1 -64.5 -48.1 60.4 38.9 10.7 67 90 1 K H 3<5S+ 0 0 134 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.912 116.1 38.4 -52.6 -49.3 57.0 39.8 9.1 68 91 1 H T 3<5S- 0 0 20 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.429 110.7-123.8 -82.9 -0.5 55.4 36.7 10.6 69 92 1 R T < 5 + 0 0 227 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.892 58.2 151.5 59.0 43.7 57.3 37.2 13.9 70 93 1 V < - 0 0 8 -5,-3.1 2,-0.7 -6,-0.2 -1,-0.2 -0.853 43.4-134.3-110.3 140.6 58.8 33.6 13.6 71 94 1 T - 0 0 49 -2,-0.4 -24,-0.3 152,-0.2 2,-0.2 -0.822 24.0-162.9 -95.6 115.6 62.2 32.5 15.0 72 95 1 G - 0 0 0 -2,-0.7 25,-2.8 153,-0.1 2,-0.5 -0.523 14.2-140.8 -92.9 161.6 64.2 30.4 12.6 73 96 1 T E -ef 48 97B 0 -26,-1.1 -24,-2.8 23,-0.2 2,-0.6 -0.976 19.2-162.1-123.5 111.9 67.2 28.1 13.4 74 97 1 F E -ef 49 98B 0 23,-3.0 25,-2.9 -2,-0.5 2,-0.8 -0.880 6.8-156.1-103.6 113.2 69.8 28.4 10.7 75 98 1 F E -ef 50 99B 0 -26,-3.8 -24,-3.3 -2,-0.6 2,-0.3 -0.778 25.6-171.4 -88.9 108.6 72.4 25.6 10.5 76 99 1 V E -ef 51 100B 0 23,-2.0 25,-2.4 -2,-0.8 26,-0.2 -0.713 17.6-140.2-108.8 153.6 75.4 27.1 8.8 77 100 1 T > - 0 0 6 -26,-1.6 4,-2.2 -2,-0.3 26,-0.3 -0.535 33.1-105.7 -99.3 173.2 78.7 25.9 7.4 78 101 1 G H > S+ 0 0 0 25,-1.2 4,-2.2 24,-0.9 5,-0.2 0.895 121.4 51.9 -65.9 -42.1 82.1 27.5 7.6 79 102 1 H H > S+ 0 0 105 24,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.888 109.0 51.0 -62.0 -39.2 81.9 28.6 4.0 80 103 1 F H > S+ 0 0 0 -29,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.942 110.5 47.4 -64.8 -46.9 78.5 30.1 4.5 81 104 1 V H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.4 45.5 -61.9 -40.2 79.6 32.2 7.5 82 105 1 K H < S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.7 44.0 -73.6 -32.6 82.8 33.4 5.8 83 106 1 D H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.791 125.0 32.8 -82.0 -26.5 81.0 34.3 2.5 84 107 1 Q X + 0 0 38 -4,-2.2 4,-2.0 -5,-0.2 3,-0.5 -0.407 61.0 151.7-128.3 59.7 78.0 35.9 4.2 85 108 1 P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.882 77.2 55.0 -58.7 -35.8 79.0 37.7 7.4 86 109 1 Q H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.847 106.6 48.5 -65.5 -37.1 76.2 40.2 7.1 87 110 1 L H > S+ 0 0 12 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.922 111.5 51.5 -68.8 -41.0 73.5 37.6 6.8 88 111 1 I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.917 109.8 49.7 -58.6 -44.1 74.9 35.9 9.8 89 112 1 K H X S+ 0 0 37 -4,-2.4 4,-3.7 -5,-0.2 5,-0.2 0.919 110.5 50.4 -63.7 -40.6 74.8 39.3 11.6 90 113 1 R H X S+ 0 0 51 -4,-2.3 4,-2.9 2,-0.2 6,-0.3 0.918 107.2 53.3 -62.7 -43.6 71.2 39.7 10.6 91 114 1 M H <>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 -1,-0.2 0.935 116.2 40.1 -55.2 -47.5 70.2 36.2 11.9 92 115 1 S H ><5S+ 0 0 20 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.964 117.0 47.3 -66.8 -53.6 71.8 37.2 15.2 93 116 1 D H 3<5S+ 0 0 33 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.818 110.9 54.5 -61.3 -28.3 70.4 40.7 15.3 94 117 1 E T 3<5S- 0 0 59 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.249 119.8 -99.8 -94.5 16.1 67.0 39.6 14.3 95 118 1 G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.506 75.1 134.2 87.5 6.6 66.4 37.0 17.0 96 119 1 H < - 0 0 10 -5,-2.4 2,-0.5 -6,-0.3 -1,-0.2 -0.338 54.1-115.0 -87.9 168.4 67.2 33.8 15.2 97 120 1 I E -f 73 0B 4 -25,-2.8 -23,-3.0 -2,-0.1 2,-0.7 -0.873 18.0-146.9-104.4 133.4 69.3 30.8 16.3 98 121 1 I E -f 74 0B 11 -2,-0.5 37,-0.2 -25,-0.2 40,-0.2 -0.899 21.0-167.6-102.5 116.8 72.5 30.0 14.5 99 122 1 G E -f 75 0B 2 -25,-2.9 -23,-2.0 -2,-0.7 2,-0.5 -0.519 23.7-101.9 -98.4 171.0 73.1 26.2 14.5 100 123 1 N E +fg 76 139B 2 38,-2.6 40,-2.5 -25,-0.2 -23,-0.2 -0.817 36.5 164.5-101.6 124.1 76.2 24.2 13.5 101 124 1 H - 0 0 7 -25,-2.4 -24,-0.1 -2,-0.5 -1,-0.1 0.120 61.9-100.3-118.0 18.3 76.4 22.5 10.2 102 125 1 S - 0 0 0 -26,-0.2 -24,-0.9 -25,-0.1 18,-0.2 0.389 28.5 -94.7 74.2 153.0 80.3 22.1 10.5 103 126 1 F S S+ 0 0 28 16,-1.8 -25,-1.2 -26,-0.3 -24,-0.9 0.953 118.4 18.8 -65.0 -54.1 83.1 24.1 9.0 104 127 1 H S S- 0 0 126 -26,-0.2 -1,-0.2 -27,-0.1 -2,-0.1 0.370 97.9-124.2-100.9 4.2 83.8 22.1 5.8 105 128 1 H + 0 0 73 14,-0.1 -3,-0.1 -4,-0.1 2,-0.1 0.921 53.1 164.3 55.3 46.8 80.6 20.1 5.7 106 129 1 P - 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0 0 0 -2,-0.2 4,-2.5 -142,-0.2 5,-0.2 -0.952 42.8 -94.8-166.6 168.6 55.4 69.6 10.6 385 171 2 E H > S+ 0 0 35 -144,-0.3 4,-2.8 -2,-0.3 5,-0.2 0.930 127.5 53.2 -60.8 -40.2 54.6 68.9 6.9 386 172 2 Y H > S+ 0 0 50 -147,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.879 109.6 47.1 -59.4 -42.5 53.8 72.7 6.7 387 173 2 V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.881 112.6 48.6 -68.7 -40.4 57.2 73.6 8.1 388 174 2 L H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.944 114.2 47.2 -63.3 -48.0 59.1 71.1 5.8 389 175 2 K H X S+ 0 0 112 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.933 114.6 44.7 -58.8 -50.9 57.2 72.4 2.8 390 176 2 E H X S+ 0 0 22 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.936 115.4 45.8 -63.5 -49.2 57.7 76.1 3.6 391 177 2 T H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 -1,-0.2 0.850 112.8 51.3 -63.6 -35.3 61.4 75.8 4.5 392 178 2 K H ><5S+ 0 0 92 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 0.886 106.3 54.9 -67.8 -36.2 62.0 73.7 1.4 393 179 2 R H 3<5S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.0 55.0 -65.8 -25.4 60.3 76.4 -0.6 394 180 2 L T 3<5S- 0 0 34 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.277 127.2-100.3 -89.5 8.0 62.9 78.8 0.9 395 181 2 G T < 5S+ 0 0 51 -3,-1.8 2,-0.4 1,-0.2 -21,-0.3 0.507 74.2 143.4 88.7 5.6 65.7 76.6 -0.4 396 182 2 Y < - 0 0 19 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.2 -0.661 43.4-148.9 -90.1 134.5 66.6 74.8 2.9 397 183 2 Q E -r 375 0E 29 -23,-2.7 -21,-3.1 -2,-0.4 2,-0.4 -0.848 24.2-140.8 -92.2 118.9 67.7 71.2 3.1 398 184 2 T E -r 376 0E 5 -2,-0.7 -126,-1.2 -129,-0.3 2,-0.5 -0.735 17.2-164.2 -87.6 132.1 66.3 70.0 6.4 399 185 2 V B +k 272 0D 0 -23,-3.0 -126,-0.2 -2,-0.4 -128,-0.1 -0.959 12.3 173.1-120.2 122.5 68.7 67.7 8.4 400 186 2 F - 0 0 0 -128,-2.8 2,-0.3 -2,-0.5 -127,-0.1 0.030 26.2-118.2 -99.4-146.3 67.7 65.5 11.3 401 187 2 W - 0 0 30 1,-0.1 32,-0.2 -2,-0.1 3,-0.1 -0.964 16.0-154.5-154.4 168.3 69.9 62.9 13.0 402 188 2 S S S+ 0 0 0 30,-3.1 -152,-0.4 1,-0.3 2,-0.4 0.422 85.5 47.2-126.1 -5.5 70.4 59.2 13.8 403 189 2 V B +s 433 0E 0 29,-1.6 31,-2.1 -154,-0.1 -1,-0.3 -0.987 63.6 136.5-142.6 128.0 72.5 59.4 16.9 404 190 2 A + 0 0 23 -2,-0.4 2,-0.3 29,-0.2 31,-0.1 -0.959 15.6 173.3-164.0 155.2 72.0 61.7 19.9 405 191 2 F - 0 0 13 29,-0.4 2,-1.5 -2,-0.3 14,-0.0 -0.933 51.7 -66.3-157.2 175.0 72.1 61.4 23.7 406 192 2 V S S+ 0 0 53 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 -0.574 71.4 131.7 -78.4 91.8 71.8 63.7 26.7 407 193 2 D + 0 0 7 -2,-1.5 32,-0.6 6,-0.1 31,-0.4 -0.041 62.1 70.3-123.6 24.7 74.9 65.9 26.4 408 194 2 W + 0 0 125 30,-0.1 2,-0.9 29,-0.1 5,-0.1 0.330 62.4 105.7-124.8 2.2 73.0 69.1 27.0 409 195 2 K > - 0 0 89 3,-0.2 3,-0.9 1,-0.2 5,-0.1 -0.791 43.3-174.1 -91.0 109.1 71.9 69.0 30.7 410 196 2 I G > S+ 0 0 66 -2,-0.9 3,-0.6 1,-0.2 -1,-0.2 0.790 81.9 59.0 -72.4 -28.4 74.1 71.5 32.5 411 197 2 N G 3 S+ 0 0 145 1,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.587 116.6 33.7 -78.3 -6.7 72.8 70.5 36.0 412 198 2 N G < S+ 0 0 97 -3,-0.9 2,-0.9 0, 0.0 -1,-0.3 -0.439 70.9 174.3-147.2 68.2 74.0 66.9 35.4 413 199 2 Q < - 0 0 49 -3,-0.6 -3,-0.1 1,-0.1 -6,-0.1 -0.679 12.4-165.9 -80.3 105.1 77.2 66.8 33.3 414 200 2 K - 0 0 115 -2,-0.9 4,-0.3 1,-0.2 3,-0.1 0.560 29.6-126.4 -73.0 -11.4 78.2 63.1 33.3 415 201 2 G > - 0 0 9 25,-0.3 4,-1.2 1,-0.2 -1,-0.2 -0.300 39.1 -46.5 96.8 177.4 81.7 63.3 32.0 416 202 2 K H > S+ 0 0 81 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.917 124.7 51.7 -57.4 -56.5 83.9 61.8 29.3 417 203 2 K H > S+ 0 0 143 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.890 104.2 58.2 -51.3 -46.6 83.0 58.1 29.5 418 204 2 Y H > S+ 0 0 74 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.906 114.7 35.7 -52.6 -47.9 79.3 58.7 29.4 419 205 2 A H X S+ 0 0 8 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.870 115.7 55.4 -74.1 -39.7 79.4 60.5 26.0 420 206 2 Y H X S+ 0 0 52 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.927 107.3 49.6 -60.4 -47.1 82.2 58.3 24.7 421 207 2 D H X S+ 0 0 50 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.889 110.0 50.7 -62.7 -39.3 80.3 55.1 25.3 422 208 2 H H X S+ 0 0 35 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.919 109.3 50.8 -63.7 -41.8 77.2 56.5 23.5 423 209 2 M H < S+ 0 0 4 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.818 116.1 41.5 -65.8 -31.0 79.2 57.5 20.5 424 210 2 I H >< S+ 0 0 30 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.927 118.6 44.3 -79.9 -49.5 80.8 54.0 20.2 425 211 2 K H 3< S+ 0 0 139 -4,-3.0 -172,-0.4 1,-0.2 -2,-0.2 0.900 114.3 46.2 -62.3 -47.0 77.6 52.0 21.0 426 212 2 Q T 3< S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.1 0.561 84.5 125.1 -77.8 -5.6 75.2 54.0 18.8 427 213 2 A < + 0 0 0 -3,-0.6 -145,-0.1 -4,-0.3 -3,-0.1 -0.240 28.6 156.5 -59.4 136.6 77.5 54.0 15.8 428 214 2 H > - 0 0 0 -147,-0.1 3,-1.9 -176,-0.0 -174,-0.2 -0.969 49.6 -80.1-154.7 156.2 76.2 52.6 12.5 429 215 2 P T 3 S+ 0 0 28 0, 0.0 -149,-0.2 0, 0.0 -152,-0.2 -0.357 118.2 18.4 -61.5 140.5 77.0 53.1 8.8 430 216 2 G T 3 S+ 0 0 0 -149,-1.6 -155,-3.3 -151,-0.6 -153,-0.2 0.521 91.7 164.0 75.8 5.1 75.5 56.2 7.4 431 217 2 A E < -Ln 274 282E 0 -3,-1.9 -148,-2.4 -150,-0.7 2,-0.7 -0.309 29.5-156.0 -62.3 132.3 75.0 57.6 10.9 432 218 2 I E - n 0 283E 0 -159,-0.6 -30,-3.1 -150,-0.2 -29,-1.6 -0.929 16.5-153.4-110.4 106.5 74.4 61.3 11.4 433 219 2 Y E -sn 403 284E 3 -150,-2.2 -148,-1.5 -2,-0.7 2,-0.5 -0.569 8.1-159.4 -81.4 142.8 75.5 62.4 14.9 434 220 2 L E + n 0 285E 8 -31,-2.1 -29,-0.4 -2,-0.2 2,-0.3 -0.982 23.1 170.2-121.3 112.4 74.0 65.3 16.7 435 221 2 L E - n 0 286E 7 -150,-2.3 -148,-1.9 -2,-0.5 2,-0.3 -0.859 24.7-147.3-124.1 158.4 76.3 66.6 19.5 436 222 2 H - 0 0 38 -2,-0.3 -148,-0.1 -150,-0.2 -28,-0.1 -0.722 7.7-149.3-112.6 168.3 76.4 69.6 21.8 437 223 2 T S S+ 0 0 1 -150,-0.4 -143,-0.5 -2,-0.3 -145,-0.3 -0.023 76.1 85.6-129.0 27.2 79.6 71.2 23.0 438 224 2 V + 0 0 9 -31,-0.4 2,-0.2 -144,-0.1 -30,-0.1 0.655 66.0 89.7-103.2 -19.9 78.4 72.5 26.3 439 225 2 S S > S- 0 0 12 -32,-0.6 3,-1.8 1,-0.1 4,-0.3 -0.492 89.8 -83.4 -84.9 152.2 78.8 69.5 28.6 440 226 2 R T 3 S- 0 0 98 1,-0.3 -25,-0.3 -2,-0.2 -1,-0.1 -0.220 107.8 -3.8 -52.9 130.2 82.0 68.7 30.6 441 227 2 D T 3> S+ 0 0 54 1,-0.1 4,-2.4 -26,-0.1 -1,-0.3 0.643 84.1 135.8 60.4 18.8 84.7 66.8 28.6 442 228 2 N H <> S+ 0 0 13 -3,-1.8 4,-2.0 1,-0.2 5,-0.1 0.872 72.5 53.2 -62.9 -33.1 82.5 66.5 25.5 443 229 2 A H > S+ 0 0 1 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.904 110.1 45.4 -67.6 -41.8 85.6 67.5 23.5 444 230 2 E H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 111.8 51.8 -70.2 -37.6 87.8 64.8 25.0 445 231 2 A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.911 112.3 47.4 -62.7 -42.0 85.1 62.2 24.6 446 232 2 L H X S+ 0 0 3 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.895 108.0 55.1 -65.4 -42.1 84.8 63.2 20.9 447 233 2 D H X S+ 0 0 32 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.953 113.6 41.4 -56.4 -49.5 88.6 63.1 20.5 448 234 2 D H X S+ 0 0 51 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.894 112.6 54.2 -67.0 -40.1 88.6 59.5 21.7 449 235 2 A H X S+ 0 0 2 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.898 111.7 43.4 -63.5 -42.6 85.5 58.5 19.8 450 236 2 I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.944 113.1 53.6 -67.6 -44.9 86.9 59.7 16.5 451 237 2 T H X S+ 0 0 47 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.950 118.9 34.6 -53.1 -50.0 90.2 58.1 17.3 452 238 2 D H X S+ 0 0 41 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.839 113.7 55.0 -78.3 -33.5 88.5 54.8 18.0 453 239 2 L H <>S+ 0 0 2 -4,-3.0 5,-2.1 -5,-0.2 -1,-0.2 0.893 108.3 52.2 -65.6 -36.1 85.7 54.9 15.4 454 240 2 K H ><5S+ 0 0 88 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.2 0.903 105.7 53.7 -64.4 -41.8 88.4 55.5 12.7 455 241 2 K H 3<5S+ 0 0 160 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 103.6 57.1 -61.4 -33.2 90.4 52.4 13.9 456 242 2 Q T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.498 130.7 -97.0 -75.3 -4.7 87.2 50.4 13.5 457 243 2 G T < 5S+ 0 0 43 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.689 73.5 145.2 99.9 18.7 87.2 51.5 9.9 458 244 2 Y < - 0 0 14 -5,-2.1 2,-0.4 -8,-0.1 -1,-0.3 -0.666 35.0-149.7 -92.0 147.8 84.8 54.5 9.8 459 245 2 T E -m 281 0E 76 -179,-2.8 -177,-2.5 -2,-0.3 2,-0.6 -0.931 12.1-138.2-113.0 137.0 85.3 57.5 7.6 460 246 2 F E +m 282 0E 22 -2,-0.4 -152,-0.3 -179,-0.2 2,-0.3 -0.870 29.1 173.3-100.2 119.5 84.0 60.9 8.7 461 247 2 K E -m 283 0E 40 -179,-2.4 -177,-0.6 -2,-0.6 2,-0.1 -0.751 25.1-115.1-118.5 168.5 82.3 62.9 6.0 462 248 2 S > - 0 0 5 -2,-0.3 4,-2.2 -179,-0.2 5,-0.1 -0.458 27.5-108.7 -99.1 173.0 80.4 66.2 6.0 463 249 2 I H > S+ 0 0 0 -179,-0.2 4,-2.4 2,-0.2 5,-0.1 0.857 123.5 53.2 -69.2 -32.5 76.8 67.1 5.3 464 250 2 D H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 108.8 49.2 -66.3 -40.3 78.1 68.7 2.0 465 251 2 D H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.879 110.2 52.1 -62.7 -39.9 79.8 65.4 1.2 466 252 2 L H X S+ 0 0 4 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.934 111.6 45.7 -61.3 -48.8 76.6 63.5 2.0 467 253 2 M H X S+ 0 0 46 -4,-2.4 4,-1.0 2,-0.2 3,-0.3 0.929 114.0 47.8 -60.5 -49.0 74.6 65.8 -0.4 468 254 2 F H >< S+ 0 0 135 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.929 110.2 52.1 -59.2 -49.5 77.1 65.6 -3.2 469 255 2 E H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.748 111.0 44.8 -63.6 -26.9 77.5 61.8 -3.1 470 256 2 K H 3< 0 0 123 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.617 360.0 360.0 -93.9 -9.9 73.8 61.0 -3.3 471 257 2 E << 0 0 171 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.1 0.935 360.0 360.0 -68.9 360.0 73.2 63.5 -6.1