==== 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 OXIDOREDUCTASE 04-JAN-05 1YFU . COMPND 2 MOLECULE: 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CUPRIAVIDUS METALLIDURANS; . AUTHOR Y.ZHANG,K.L.COLABROY,T.P.BEGLEY,S.E.EALICK . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 0.6 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 . 22 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 10.9 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+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 2 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 2 1 2 1 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 . 0 0 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 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 1 A M 0 0 198 0, 0.0 2,-2.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-179.8 24.6 41.7 25.3 2 2 A L > + 0 0 124 1,-0.2 3,-2.2 2,-0.1 4,-0.0 -0.536 360.0 177.1 -80.1 79.9 21.3 41.3 23.5 3 3 A T T 3 S+ 0 0 103 -2,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.766 79.1 46.1 -52.2 -32.9 22.7 40.0 20.2 4 4 A Y T 3 S- 0 0 113 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.196 114.5-114.6-100.7 15.8 19.2 39.6 18.8 5 5 A G < - 0 0 46 -3,-2.2 -1,-0.3 26,-0.0 3,-0.1 -0.115 43.7 -50.2 80.7 179.3 17.8 42.9 20.0 6 6 A A S S- 0 0 65 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.349 70.2 -76.6 -86.9 168.7 15.0 43.7 22.5 7 7 A P - 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.261 53.9-174.6 -62.0 154.3 11.5 42.2 22.6 8 8 A F - 0 0 88 -3,-0.1 2,-0.4 0, 0.0 5,-0.0 -0.991 35.0 -85.9-151.7 153.7 9.1 43.5 20.0 9 9 A N > - 0 0 76 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.458 34.6-161.1 -65.2 117.7 5.4 43.1 19.2 10 10 A F H > S+ 0 0 56 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.929 85.7 53.3 -68.2 -49.3 5.0 40.0 16.9 11 11 A P H > S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.907 112.4 47.5 -53.9 -40.3 1.6 40.7 15.4 12 12 A R H > S+ 0 0 142 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.918 110.0 51.9 -66.0 -44.6 2.9 44.2 14.3 13 13 A W H X S+ 0 0 27 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.910 110.2 49.7 -57.7 -43.5 6.1 42.7 12.9 14 14 A I H >< S+ 0 0 6 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.927 110.4 49.4 -62.9 -45.4 3.9 40.2 10.9 15 15 A D H >< S+ 0 0 92 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.935 108.8 53.5 -58.7 -46.9 1.8 43.0 9.6 16 16 A E H 3< S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.685 111.7 45.0 -63.4 -19.7 4.8 45.0 8.6 17 17 A H T XX S+ 0 0 32 -4,-1.0 3,-2.0 -3,-0.7 4,-1.0 0.136 74.6 116.9-110.7 19.9 6.2 42.1 6.6 18 18 A A G X4 S+ 0 0 55 -3,-1.7 3,-1.1 1,-0.3 85,-0.1 0.891 70.5 61.6 -52.4 -43.6 3.0 41.2 4.8 19 19 A H G 34 S+ 0 0 111 1,-0.3 -1,-0.3 -4,-0.3 6,-0.3 0.683 108.2 44.0 -59.3 -17.6 4.5 42.0 1.4 20 20 A L G <4 S+ 0 0 31 -3,-2.0 6,-0.4 1,-0.2 2,-0.3 0.582 96.8 74.9-101.6 -14.2 7.1 39.3 2.1 21 21 A L S << S+ 0 0 10 -3,-1.1 22,-1.8 -4,-1.0 82,-0.4 -0.179 96.0 54.3 -93.0 42.1 4.6 36.7 3.4 22 22 A K S >> S- 0 0 99 -2,-0.3 4,-2.3 -3,-0.2 3,-0.7 -0.954 95.6 -20.4-161.2 163.0 3.3 36.1 -0.1 23 23 A P T 34 S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 20,-0.0 -0.179 116.8 20.2 -52.6 147.1 4.7 35.0 -3.5 24 24 A P T 34 S+ 0 0 135 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.990 139.0 26.8 -86.2 -14.1 7.5 35.2 -4.6 25 25 A V T <4 S+ 0 0 69 -3,-0.7 2,-0.6 -6,-0.3 -4,-0.1 0.987 71.3 173.4 -69.7 -61.4 9.1 35.5 -1.2 26 26 A G < + 0 0 15 -4,-2.3 16,-3.6 -6,-0.4 2,-0.3 -0.040 55.8 42.9 81.2 -35.2 6.6 33.7 1.0 27 27 A N E -A 41 0A 64 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.918 56.7-158.1-141.5 168.1 8.6 33.6 4.2 28 28 A R E -A 40 0A 116 12,-2.0 12,-2.2 -2,-0.3 2,-0.3 -0.938 17.9-135.7-152.0 123.5 10.8 35.7 6.5 29 29 A Q E -A 39 0A 42 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.617 14.4-149.9 -78.4 135.4 13.3 34.7 9.1 30 30 A V S S+ 0 0 21 8,-3.4 2,-0.3 -2,-0.3 -1,-0.1 0.946 74.7 21.4 -73.7 -50.4 13.0 36.8 12.3 31 31 A W S S- 0 0 93 7,-0.5 3,-0.3 5,-0.2 7,-0.3 -0.904 73.8-135.8-121.6 150.2 16.6 36.7 13.6 32 32 A Q S S+ 0 0 118 -2,-0.3 3,-0.1 1,-0.2 5,-0.0 -0.721 78.1 10.7-104.2 155.1 19.8 36.1 11.7 33 33 A D S S+ 0 0 146 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.798 90.6 135.4 51.5 36.6 22.8 34.0 12.8 34 34 A S - 0 0 10 -3,-0.3 -1,-0.2 2,-0.2 -3,-0.0 -0.746 63.6-127.7-109.2 159.2 20.9 32.4 15.7 35 35 A D S S+ 0 0 84 -2,-0.3 77,-1.9 -3,-0.1 2,-0.6 0.905 100.1 64.3 -71.0 -42.7 20.9 28.8 16.7 36 36 A F E S- B 0 111A 128 75,-0.2 2,-0.9 -3,-0.1 75,-0.2 -0.732 82.5-145.7 -83.1 121.7 17.1 28.7 16.7 37 37 A I E - B 0 110A 12 73,-3.0 73,-2.1 -2,-0.6 2,-0.6 -0.816 19.3-170.3 -90.1 108.9 15.9 29.4 13.2 38 38 A V E + B 0 109A 13 -2,-0.9 -8,-3.4 -7,-0.3 -7,-0.5 -0.908 11.3 170.2-107.5 116.3 12.7 31.4 13.7 39 39 A T E -AB 29 108A 14 69,-2.9 69,-3.1 -2,-0.6 2,-0.5 -0.923 29.3-149.5-128.3 148.9 10.6 31.9 10.6 40 40 A V E -AB 28 107A 0 -12,-2.2 -12,-2.0 -2,-0.3 2,-0.5 -0.983 21.4-161.2-115.0 121.7 7.2 33.2 9.7 41 41 A V E +AB 27 106A 32 65,-2.6 65,-1.7 -2,-0.5 -14,-0.2 -0.915 11.0 179.3-110.2 127.4 5.7 31.5 6.6 42 42 A G + 0 0 1 -16,-3.6 -20,-0.2 -2,-0.5 63,-0.2 0.151 18.6 7.4 -99.5-144.2 2.9 33.1 4.6 43 43 A G S S- 0 0 0 -22,-1.8 60,-0.6 61,-0.3 2,-0.1 -0.961 76.4 -18.6-172.0-179.9 1.0 32.1 1.5 44 44 A P + 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.494 69.3 139.9 -78.0 152.7 -0.3 31.1 -0.8 45 45 A N B -E 99 0B 72 54,-2.7 54,-3.5 -2,-0.1 2,-0.3 -0.884 23.7-179.4-160.8 126.5 2.2 28.4 -1.6 46 46 A H + 0 0 107 -2,-0.3 2,-0.3 52,-0.2 52,-0.1 -0.930 13.1 175.7-122.3 148.5 1.8 24.8 -2.8 47 47 A R - 0 0 69 -2,-0.3 126,-0.1 50,-0.2 125,-0.1 -0.981 31.8-150.2-151.6 159.6 4.8 22.4 -3.4 48 48 A T + 0 0 16 -2,-0.3 76,-0.4 124,-0.2 2,-0.2 0.510 66.5 102.0-109.5 -9.2 5.5 18.8 -4.3 49 49 A D - 0 0 2 123,-0.1 2,-0.4 74,-0.1 74,-0.2 -0.530 59.7-145.2 -81.4 143.3 8.8 18.3 -2.5 50 50 A Y E -F 122 0C 24 72,-3.4 72,-2.5 -2,-0.2 2,-0.4 -0.896 13.9-138.5-107.3 135.9 8.9 16.4 0.8 51 51 A H E -FG 121 95C 14 44,-3.3 44,-1.5 -2,-0.4 2,-0.7 -0.807 9.7-162.4-100.1 135.9 11.4 17.6 3.5 52 52 A D E -F 120 0C 7 68,-3.1 68,-2.4 -2,-0.4 42,-0.1 -0.890 17.0-170.0-114.5 91.8 13.5 15.1 5.6 53 53 A D - 0 0 2 -2,-0.7 39,-3.7 40,-0.4 40,-0.2 -0.766 19.5-150.5 -88.8 122.9 14.6 17.3 8.5 54 54 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.609 83.5 43.1 -67.5 -10.8 17.3 15.6 10.7 55 55 A L S S- 0 0 20 35,-0.1 37,-0.3 1,-0.1 -2,-0.1 -0.802 100.6 -77.5-129.1 170.8 15.9 17.6 13.6 56 56 A E - 0 0 106 -2,-0.3 2,-0.4 35,-0.1 55,-0.4 -0.205 34.5-148.3 -68.0 158.9 12.5 18.6 15.0 57 57 A E E -C 89 0A 6 32,-1.5 32,-3.0 53,-0.1 2,-0.4 -0.994 5.5-153.6-133.1 124.6 10.3 21.3 13.6 58 58 A F E -CD 88 109A 62 51,-2.8 51,-2.2 -2,-0.4 2,-0.4 -0.826 12.4-169.7-100.6 135.9 7.9 23.4 15.6 59 59 A F E +CD 87 108A 2 28,-2.9 28,-2.1 -2,-0.4 2,-0.3 -0.967 16.9 174.1-127.5 139.9 4.8 24.9 14.1 60 60 A Y E -CD 86 107A 95 47,-2.1 47,-3.0 -2,-0.4 2,-1.3 -0.843 22.6-149.5-143.5 101.3 2.3 27.5 15.4 61 61 A Q E + D 0 106A 0 24,-2.5 23,-3.5 -2,-0.3 24,-0.3 -0.609 22.8 173.5 -77.2 95.9 -0.3 28.5 12.8 62 62 A L E + 0 0 43 -2,-1.3 2,-0.4 43,-1.0 44,-0.2 0.894 63.1 17.9 -71.2 -46.3 -1.0 32.1 13.9 63 63 A R E S- D 0 105A 74 42,-2.4 42,-2.4 20,-0.1 -1,-0.2 -0.992 113.9 -10.0-133.5 139.5 -3.2 33.2 11.1 64 64 A G S S- 0 0 9 -2,-0.4 2,-0.3 40,-0.2 20,-0.1 -0.117 83.0 -72.6 71.7-171.7 -5.2 31.3 8.5 65 65 A N + 0 0 62 17,-0.2 36,-0.7 18,-0.1 2,-0.3 -0.890 44.6 161.7-126.3 155.7 -5.0 27.6 7.8 66 66 A A E -H 81 0C 6 15,-2.1 15,-3.1 -2,-0.3 2,-0.3 -0.892 18.3-146.0-154.8 177.2 -2.4 25.2 6.2 67 67 A Y E -HI 80 98C 65 31,-2.4 31,-3.1 13,-0.3 2,-0.5 -0.991 9.7-132.5-153.5 156.7 -1.7 21.5 6.1 68 68 A L E -HI 79 97C 0 11,-2.9 11,-2.6 -2,-0.3 2,-0.5 -0.955 13.1-145.7-115.1 122.3 1.3 19.1 5.9 69 69 A N E -HI 78 96C 44 27,-2.4 27,-2.6 -2,-0.5 9,-0.2 -0.758 34.7-179.2 -83.2 130.5 1.3 16.2 3.5 70 70 A L E -HI 77 95C 12 7,-3.7 7,-2.1 -2,-0.5 2,-0.4 -0.756 37.3-133.8-127.6 174.4 3.2 13.4 5.3 71 71 A W E +H 76 0C 50 23,-1.1 2,-0.5 -2,-0.2 23,-0.5 -0.842 36.0 170.7-128.9 87.7 4.5 9.9 4.9 72 72 A V E > -H 75 0C 56 3,-2.0 3,-0.8 -2,-0.4 -2,-0.1 -0.905 68.7 -10.5-107.3 127.6 3.6 8.1 8.2 73 73 A D T 3 S- 0 0 165 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.849 130.0 -55.4 57.1 36.5 4.1 4.3 8.5 74 74 A G T 3 S+ 0 0 69 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.789 118.0 108.8 68.7 28.3 4.7 4.1 4.8 75 75 A R E < S-H 72 0C 37 -3,-0.8 -3,-2.0 0, 0.0 2,-0.6 -0.997 76.4-109.1-139.8 142.2 1.4 5.8 4.0 76 76 A R E +H 71 0C 111 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.564 50.1 169.3 -70.4 114.7 0.4 9.2 2.6 77 77 A E E -H 70 0C 98 -7,-2.1 -7,-3.7 -2,-0.6 2,-0.4 -0.790 26.3-138.7-124.3 167.3 -1.2 11.2 5.5 78 78 A R E -H 69 0C 152 -2,-0.3 2,-0.6 -9,-0.2 -9,-0.2 -0.994 5.9-164.6-132.0 130.9 -2.2 14.8 6.2 79 79 A A E -H 68 0C 22 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.3 -0.961 21.2-142.9-114.1 113.6 -1.7 16.8 9.3 80 80 A D E -H 67 0C 60 -2,-0.6 2,-0.8 -13,-0.2 -13,-0.3 -0.588 8.1-158.3 -80.2 135.1 -3.9 19.9 9.3 81 81 A L E -H 66 0C 3 -15,-3.1 -15,-2.1 -2,-0.3 2,-0.1 -0.775 20.6-176.0-110.8 83.1 -2.6 23.2 10.7 82 82 A K > - 0 0 118 -2,-0.8 3,-2.9 -17,-0.2 -21,-0.3 -0.458 44.9 -75.1 -77.0 154.4 -5.8 25.0 11.5 83 83 A E T 3 S+ 0 0 120 1,-0.3 -21,-0.2 -2,-0.1 -1,-0.2 -0.244 124.7 23.3 -51.2 128.5 -5.5 28.6 12.8 84 84 A G T 3 S+ 0 0 46 -23,-3.5 -1,-0.3 1,-0.3 2,-0.2 0.236 94.1 130.6 97.6 -12.3 -4.4 28.4 16.4 85 85 A D < - 0 0 61 -3,-2.9 -24,-2.5 -24,-0.3 -1,-0.3 -0.475 37.8-165.5 -78.5 144.3 -2.9 24.9 16.1 86 86 A I E +C 60 0A 109 -26,-0.2 2,-0.3 -2,-0.2 -26,-0.2 -0.875 11.7 176.8-120.9 158.1 0.6 24.1 17.3 87 87 A F E -C 59 0A 64 -28,-2.1 -28,-2.9 -2,-0.3 2,-0.5 -0.978 23.2-148.2-162.0 146.6 2.5 21.0 16.3 88 88 A L E -C 58 0A 96 -2,-0.3 -30,-0.2 -30,-0.2 -32,-0.0 -0.986 17.2-152.3-124.2 118.5 5.9 19.4 16.9 89 89 A L E -C 57 0A 3 -32,-3.0 -32,-1.5 -2,-0.5 3,-0.1 -0.791 16.5-128.8 -93.2 126.3 7.2 17.2 14.0 90 90 A P > - 0 0 69 0, 0.0 3,-1.3 0, 0.0 -37,-0.2 -0.282 42.3 -79.8 -67.6 159.8 9.6 14.4 15.0 91 91 A P T 3 S+ 0 0 52 0, 0.0 -35,-0.1 0, 0.0 3,-0.1 -0.233 110.2 11.4 -60.2 150.1 13.0 14.2 13.1 92 92 A H T 3 S+ 0 0 94 -39,-3.7 2,-0.5 -37,-0.3 -36,-0.1 0.338 79.7 141.4 65.9 -3.0 12.9 12.6 9.6 93 93 A V < - 0 0 34 -3,-1.3 -40,-0.4 -40,-0.2 -1,-0.2 -0.603 58.1-120.4 -71.5 120.2 9.2 12.5 9.1 94 94 A R + 0 0 66 -2,-0.5 -23,-1.1 -23,-0.5 2,-0.4 -0.417 41.8 176.8 -64.3 127.5 8.7 13.4 5.5 95 95 A H E -GI 51 70C 2 -44,-1.5 -44,-3.3 -25,-0.2 -25,-0.2 -0.997 27.9-169.7-143.1 141.1 6.6 16.5 5.0 96 96 A S E - I 0 69C 1 -27,-2.6 -27,-2.4 -2,-0.4 2,-0.2 -0.913 25.5-143.8-128.1 98.3 5.4 18.7 2.2 97 97 A P E - I 0 68C 16 0, 0.0 2,-0.5 0, 0.0 -29,-0.2 -0.429 12.8-165.9 -67.2 132.0 3.8 22.0 3.6 98 98 A Q E - I 0 67C 9 -31,-3.1 -31,-2.4 -2,-0.2 -52,-0.2 -0.983 8.6-179.9-121.0 127.0 0.8 23.3 1.7 99 99 A R B +E 45 0B 9 -54,-3.5 -54,-2.7 -2,-0.5 -33,-0.1 -0.723 7.5 168.7-131.5 82.6 -0.4 26.9 2.4 100 100 A P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.735 50.4 87.1 -64.4 -29.1 -3.4 27.7 0.3 101 101 A E > - 0 0 73 -36,-0.7 3,-1.0 -56,-0.1 2,-0.2 -0.611 66.7-140.2 -90.4 134.9 -4.4 31.0 2.0 102 102 A A T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.2 -80,-0.1 -0.524 94.2 30.0 -77.4 151.9 -3.2 34.5 1.4 103 103 A G T 3 S+ 0 0 61 -60,-0.6 -1,-0.2 -82,-0.4 2,-0.1 0.434 89.8 135.0 77.9 -3.5 -2.7 36.4 4.6 104 104 A S < - 0 0 2 -3,-1.0 2,-0.3 -83,-0.1 -1,-0.3 -0.445 34.0-169.3 -78.3 155.1 -1.9 33.2 6.5 105 105 A A E - D 0 63A 2 -42,-2.4 -42,-2.4 -63,-0.2 -43,-1.0 -0.957 7.3-175.5-149.3 126.4 1.1 33.2 8.9 106 106 A C E -BD 41 61A 0 -65,-1.7 -65,-2.6 -2,-0.3 2,-0.5 -0.986 21.7-137.6-126.4 130.3 2.8 30.3 10.6 107 107 A L E -BD 40 60A 23 -47,-3.0 -47,-2.1 -2,-0.4 2,-0.4 -0.747 27.2-174.3 -82.5 126.5 5.6 30.5 13.1 108 108 A V E -BD 39 59A 10 -69,-3.1 -69,-2.9 -2,-0.5 2,-0.5 -0.995 4.3-169.6-128.0 126.0 8.1 27.8 12.3 109 109 A I E +BD 38 58A 48 -51,-2.2 -51,-2.8 -2,-0.4 2,-0.2 -0.969 14.6 156.0-122.0 130.4 11.0 27.0 14.5 110 110 A E E -B 37 0A 28 -73,-2.1 -73,-3.0 -2,-0.5 2,-0.3 -0.763 35.5-109.5-135.6-179.8 14.0 24.8 13.7 111 111 A R E -B 36 0A 118 -55,-0.4 -75,-0.2 -75,-0.2 2,-0.2 -0.872 34.6-100.9-117.1 151.2 17.6 24.4 14.8 112 112 A Q - 0 0 64 -77,-1.9 28,-0.1 -2,-0.3 -77,-0.0 -0.496 44.0-122.3 -66.0 135.1 20.8 25.2 12.8 113 113 A R - 0 0 21 26,-0.5 3,-0.1 -2,-0.2 -1,-0.1 -0.679 22.6-126.5 -84.4 133.5 22.1 21.8 11.6 114 114 A P > - 0 0 62 0, 0.0 3,-2.4 0, 0.0 -1,-0.0 -0.364 44.0 -74.7 -73.7 158.5 25.7 21.0 12.7 115 115 A A T 3 S+ 0 0 100 1,-0.3 3,-0.1 23,-0.1 23,-0.0 -0.264 122.9 24.4 -52.6 131.5 28.3 20.1 10.1 116 116 A G T 3 S+ 0 0 66 1,-0.2 2,-0.9 -3,-0.1 -1,-0.3 0.207 92.2 108.4 97.4 -18.1 27.6 16.6 8.8 117 117 A M < - 0 0 59 -3,-2.4 22,-0.3 22,-0.1 2,-0.3 -0.853 58.0-161.5 -96.9 108.1 23.9 16.5 9.7 118 118 A L - 0 0 64 -2,-0.9 2,-0.3 20,-0.1 20,-0.2 -0.626 15.5-139.3 -98.5 151.4 22.2 16.7 6.3 119 119 A D E - J 0 137C 0 18,-2.9 18,-2.9 -2,-0.3 2,-0.4 -0.739 19.5-145.7 -98.7 148.9 18.7 17.6 5.2 120 120 A G E -FJ 52 136C 0 -68,-2.4 -68,-3.1 -2,-0.3 2,-0.4 -0.923 11.2-168.6-119.5 145.0 17.0 15.6 2.5 121 121 A F E +FJ 51 135C 5 14,-2.2 14,-2.5 -2,-0.4 2,-0.3 -0.995 21.1 165.7-131.5 124.9 14.5 16.8 -0.1 122 122 A E E -FJ 50 134C 1 -72,-2.5 -72,-3.4 -2,-0.4 2,-0.3 -0.920 27.5-145.2-141.7 166.0 12.6 14.3 -2.2 123 123 A W E - J 0 133C 0 10,-2.0 9,-2.9 -2,-0.3 10,-1.3 -0.961 15.2-150.1-130.0 145.8 9.7 13.7 -4.5 124 124 A Y E - J 0 131C 32 -76,-0.4 2,-0.4 -2,-0.3 7,-0.2 -0.852 27.2-101.5-117.9 152.6 7.4 10.7 -4.8 125 125 A C > - 0 0 2 5,-2.7 4,-1.6 -2,-0.3 43,-0.1 -0.574 18.7-151.6 -74.8 126.6 5.6 9.3 -7.8 126 126 A D T 4 S+ 0 0 92 -2,-0.4 -1,-0.1 1,-0.2 43,-0.0 0.541 94.7 51.2 -74.0 -5.0 1.9 10.2 -7.9 127 127 A A T 4 S+ 0 0 67 3,-0.1 -1,-0.2 40,-0.1 -2,-0.0 0.893 131.2 4.2 -96.1 -55.8 1.3 6.9 -9.7 128 128 A C T 4 S- 0 0 55 2,-0.1 -2,-0.2 39,-0.1 -4,-0.0 0.511 90.5-122.9-110.0 -9.6 3.0 4.2 -7.7 129 129 A G < + 0 0 22 -4,-1.6 2,-0.1 1,-0.2 -3,-0.1 0.571 60.5 145.6 78.9 8.8 4.2 6.2 -4.7 130 130 A H - 0 0 86 1,-0.1 -5,-2.7 -6,-0.1 2,-0.3 -0.432 61.8 -91.7 -78.2 153.3 7.8 5.1 -5.2 131 131 A L E -J 124 0C 62 -7,-0.2 -7,-0.2 1,-0.2 -1,-0.1 -0.494 41.6-177.1 -65.9 127.0 10.7 7.5 -4.4 132 132 A V E - 0 0 13 -9,-2.9 2,-0.3 1,-0.3 -8,-0.2 0.864 60.7 -11.9 -93.7 -45.2 11.5 9.5 -7.6 133 133 A H E -J 123 0C 41 -10,-1.3 -10,-2.0 27,-0.1 2,-0.4 -0.986 53.8-168.8-159.4 147.1 14.4 11.6 -6.5 134 134 A R E -J 122 0C 72 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.998 0.9-171.2-142.3 134.4 16.3 12.7 -3.3 135 135 A V E -J 121 0C 42 -14,-2.5 -14,-2.2 -2,-0.4 2,-0.4 -0.996 11.3-153.0-126.2 130.0 18.9 15.3 -2.8 136 136 A E E +J 120 0C 109 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.840 20.0 179.8-102.2 141.7 20.8 15.7 0.5 137 137 A V E -J 119 0C 25 -18,-2.9 -18,-2.9 -2,-0.4 2,-1.2 -0.996 37.9-126.3-145.5 146.4 22.2 19.1 1.5 138 138 A Q - 0 0 71 -2,-0.3 2,-0.8 -20,-0.2 -20,-0.1 -0.817 40.7-144.0 -88.9 99.1 24.1 20.7 4.3 139 139 A L + 0 0 14 -2,-1.2 -26,-0.5 -22,-0.3 3,-0.1 -0.583 45.7 143.3 -74.4 106.9 21.5 23.5 4.9 140 140 A K S S+ 0 0 164 -2,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.746 75.9 13.5-108.2 -44.5 23.3 26.7 5.8 141 141 A S > - 0 0 41 1,-0.1 4,-3.0 2,-0.0 3,-0.5 -0.946 57.7-158.7-140.1 115.2 21.2 29.3 4.0 142 142 A I H > S+ 0 0 59 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.847 93.2 61.7 -59.4 -35.3 17.7 28.4 2.7 143 143 A V H 4 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.876 121.0 19.2 -60.8 -41.1 17.9 31.4 0.3 144 144 A T H 4 S+ 0 0 88 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.695 125.8 50.7-104.0 -23.2 20.9 30.2 -1.6 145 145 A D H < S+ 0 0 38 -4,-3.0 4,-0.2 2,-0.1 -3,-0.2 0.676 113.0 38.4 -90.9 -18.7 21.0 26.4 -0.8 146 146 A L S X S+ 0 0 13 -4,-1.4 4,-1.9 -5,-0.3 3,-0.5 0.890 100.3 60.6-101.2 -49.2 17.4 25.4 -1.6 147 147 A P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.870 105.8 50.1 -49.4 -44.4 16.0 27.2 -4.7 148 148 A P H > S+ 0 0 68 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 107.5 56.3 -63.8 -35.7 18.6 25.8 -7.1 149 149 A L H > S+ 0 0 14 -3,-0.5 4,-1.4 -4,-0.2 -3,-0.1 0.964 111.0 41.1 -59.1 -54.9 17.9 22.3 -5.8 150 150 A F H X S+ 0 0 23 -4,-1.9 4,-2.3 1,-0.2 3,-0.2 0.904 114.4 54.2 -60.3 -42.6 14.2 22.5 -6.6 151 151 A E H X S+ 0 0 125 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.888 104.6 52.7 -60.8 -40.9 14.9 24.2 -9.9 152 152 A S H < S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.2 7,-0.2 0.832 109.6 50.6 -66.9 -29.4 17.3 21.4 -11.0 153 153 A F H >< S+ 0 0 0 -4,-1.4 3,-1.4 -3,-0.2 7,-0.2 0.940 109.5 48.7 -72.1 -47.0 14.6 18.8 -10.3 154 154 A Y H 3< S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.835 110.7 52.0 -61.7 -33.9 11.9 20.6 -12.3 155 155 A A T 3< S+ 0 0 85 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.441 100.2 74.3 -84.3 1.7 14.2 21.1 -15.3 156 156 A S <> - 0 0 26 -3,-1.4 4,-2.3 -4,-0.2 5,-0.2 -0.885 48.4-175.7-125.8 108.7 15.2 17.4 -15.5 157 157 A E H > S+ 0 0 115 -2,-0.5 4,-0.6 1,-0.2 12,-0.2 0.824 92.7 60.5 -63.2 -28.7 13.0 14.6 -16.8 158 158 A D H >4 S+ 0 0 121 2,-0.2 3,-0.9 1,-0.2 -1,-0.2 0.955 108.7 39.9 -62.4 -50.9 15.8 12.3 -15.8 159 159 A K H 34 S+ 0 0 68 1,-0.2 -2,-0.2 -7,-0.2 -1,-0.2 0.844 117.0 51.8 -66.6 -33.6 15.5 13.3 -12.1 160 160 A R H 3< S+ 0 0 41 -4,-2.3 9,-3.7 -7,-0.2 2,-0.6 0.478 85.8 108.2 -82.4 -2.8 11.7 13.4 -12.4 161 161 A R B << S-K 168 0D 108 -3,-0.9 7,-0.2 -4,-0.6 6,-0.1 -0.655 72.3-127.1 -83.3 119.2 11.5 9.9 -13.9 162 162 A C > - 0 0 2 5,-2.5 4,-1.3 -2,-0.6 -30,-0.1 -0.453 9.1-150.4 -65.1 127.0 10.1 7.3 -11.5 163 163 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -31,-0.1 0.470 92.8 47.5 -76.4 -1.7 12.5 4.3 -11.3 164 164 A H T 4 S+ 0 0 127 3,-0.1 -32,-0.0 -33,-0.1 -2,-0.0 0.845 130.5 7.6-104.3 -53.4 9.6 2.0 -10.7 165 165 A C T 4 S- 0 0 65 2,-0.1 3,-0.1 -35,-0.0 -3,-0.0 0.405 91.1-121.7-112.4 -1.4 6.8 2.8 -13.2 166 166 A G < + 0 0 40 -4,-1.3 2,-0.2 1,-0.2 0, 0.0 0.430 58.6 149.9 76.9 -3.3 8.7 5.2 -15.5 167 167 A Q - 0 0 108 -6,-0.1 -5,-2.5 1,-0.1 2,-0.6 -0.454 46.2-129.8 -65.4 129.5 6.1 7.9 -14.9 168 168 A V B -K 161 0D 36 -7,-0.2 -7,-0.3 -2,-0.2 -1,-0.1 -0.747 24.0-120.6 -87.2 119.7 7.7 11.4 -15.2 169 169 A H - 0 0 6 -9,-3.7 3,-0.1 -2,-0.6 -9,-0.1 -0.215 16.1-123.0 -56.8 142.9 6.9 13.6 -12.2 170 170 A P - 0 0 62 0, 0.0 2,-0.7 0, 0.0 3,-0.3 0.814 41.3-150.9 -57.9 -34.1 5.0 16.9 -13.0 171 171 A G + 0 0 1 1,-0.2 -123,-0.2 -11,-0.1 -17,-0.1 -0.861 65.6 12.1 104.6-114.7 7.7 18.9 -11.3 172 172 A R S S+ 0 0 160 -2,-0.7 2,-0.5 1,-0.2 -124,-0.2 0.933 127.3 42.7 -69.7 -49.9 6.8 22.2 -9.7 173 173 A A 0 0 77 -3,-0.3 -1,-0.2 -126,-0.1 -126,-0.0 -0.889 360.0 360.0-107.0 127.5 3.0 21.9 -9.8 174 174 A A 0 0 107 -2,-0.5 -2,-0.1 -4,-0.1 -1,-0.0 -0.144 360.0 360.0 -46.2 360.0 1.2 18.6 -8.9