==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-NOV-02 1O7P . COMPND 2 MOLECULE: NAPHTHALENE 1,2-DIOXYGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.KARLSSON,J.V.PARALES,R.E.PARALES,D.T.GIBSON,H.EKLUND, . 640 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 1 0.2 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 . 57 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 2 1 3 1 2 1 1 1 0 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 3 2 4 3 4 3 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 1 1 0 0 0 1 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 90 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.9 2.1 71.3 105.8 2 2 A N >> - 0 0 82 1,-0.1 4,-3.0 2,-0.0 3,-1.1 -0.786 360.0-171.3 -81.5 97.0 4.5 70.2 108.6 3 3 A Y T 34 S+ 0 0 29 -2,-0.9 -1,-0.1 1,-0.3 5,-0.1 0.615 80.6 66.1 -72.7 -7.5 7.2 68.3 106.8 4 4 A N T 34 S+ 0 0 108 1,-0.1 -1,-0.3 -3,-0.1 421,-0.1 0.872 120.3 18.2 -71.0 -38.3 8.7 67.1 110.1 5 5 A N T <4 S+ 0 0 119 -3,-1.1 2,-0.2 2,-0.0 -2,-0.2 0.709 95.3 106.5-106.6 -27.0 5.6 65.1 110.9 6 6 A K < - 0 0 69 -4,-3.0 2,-1.3 1,-0.1 3,-0.2 -0.368 63.5-139.3 -64.3 124.4 3.7 64.6 107.6 7 7 A I + 0 0 118 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.693 38.1 158.0 -82.5 95.6 4.0 61.0 106.4 8 8 A L S S+ 0 0 1 -2,-1.3 9,-2.3 1,-0.3 2,-0.4 0.735 73.4 34.4 -84.6 -29.7 4.5 61.6 102.7 9 9 A V B S-A 16 0A 9 -3,-0.2 -1,-0.3 7,-0.2 7,-0.2 -0.999 88.0-132.3-131.7 124.4 6.1 58.2 102.3 10 10 A S > - 0 0 32 5,-2.1 3,-2.1 -2,-0.4 4,-0.2 -0.198 44.9 -64.8 -73.5 167.0 5.0 55.3 104.3 11 11 A E G > S+ 0 0 126 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 -0.236 124.8 13.7 -54.9 138.0 7.4 52.9 106.2 12 12 A S G 3 S- 0 0 3 1,-0.2 -1,-0.3 -3,-0.1 406,-0.1 0.514 120.9 -87.8 70.5 7.5 9.7 50.9 104.0 13 13 A G G < S+ 0 0 0 -3,-2.1 -1,-0.2 404,-0.1 -2,-0.2 0.797 83.8 147.1 63.0 34.1 8.7 53.2 101.1 14 14 A L < + 0 0 50 -3,-1.1 371,-2.5 -4,-0.2 2,-0.3 0.740 66.3 3.5 -74.0 -22.6 5.7 51.0 100.3 15 15 A S E - B 0 384A 21 369,-0.2 -5,-2.1 -5,-0.2 2,-0.3 -0.975 60.7-151.9-158.3 157.3 3.5 53.9 99.2 16 16 A Q E -AB 9 383A 3 367,-1.8 367,-3.6 -2,-0.3 -7,-0.2 -0.993 32.4-103.8-134.3 146.0 3.6 57.7 98.6 17 17 A K E > - B 0 382A 39 -9,-2.3 3,-2.1 -2,-0.3 4,-0.2 -0.471 27.8-132.5 -69.3 133.0 0.9 60.3 98.8 18 18 A H G > S+ 0 0 22 363,-2.5 3,-2.0 360,-0.4 4,-0.2 0.810 99.4 74.8 -58.0 -30.6 -0.2 61.3 95.3 19 19 A L G >> S+ 0 0 13 360,-2.0 4,-2.6 1,-0.3 3,-1.8 0.705 74.8 80.1 -57.1 -20.8 0.1 65.0 96.2 20 20 A I G <4 S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.814 92.8 50.1 -61.6 -22.1 3.9 64.7 96.1 21 21 A H G <4 S+ 0 0 3 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.518 124.5 25.8 -90.0 -7.0 3.6 65.0 92.3 22 22 A G T <4 S+ 0 0 2 -3,-1.8 2,-0.6 351,-0.4 -2,-0.2 0.551 84.7 109.8-130.8 -14.0 1.3 68.1 92.4 23 23 A D X - 0 0 45 -4,-2.6 4,-2.0 1,-0.2 5,-0.1 -0.551 43.5-165.1 -79.0 116.5 1.8 70.2 95.5 24 24 A E H > S+ 0 0 69 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.837 89.0 55.9 -71.4 -33.0 3.5 73.5 94.9 25 25 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 109.5 48.6 -62.8 -39.4 4.3 74.2 98.5 26 26 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.896 107.4 55.4 -64.9 -42.2 6.1 70.8 98.6 27 27 A F H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.933 108.0 48.2 -53.8 -48.3 8.0 71.8 95.4 28 28 A Q H X S+ 0 0 113 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.899 111.4 50.7 -58.4 -40.0 9.2 74.9 97.1 29 29 A H H X S+ 0 0 31 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.843 105.6 56.4 -70.7 -30.8 10.3 72.8 100.1 30 30 A E H X>S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-2.4 0.807 95.7 64.8 -67.5 -31.7 12.1 70.4 97.7 31 31 A L H <>S+ 0 0 29 -4,-1.4 5,-1.5 -3,-0.3 -1,-0.2 0.930 113.5 34.2 -56.6 -40.9 14.2 73.3 96.4 32 32 A K H <5S+ 0 0 137 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.941 128.8 31.6 -76.4 -52.2 15.6 73.6 99.9 33 33 A T H <5S+ 0 0 2 -4,-2.5 -3,-0.2 3,-0.1 -2,-0.2 0.664 132.7 23.8 -91.6 -20.3 15.7 70.0 101.1 34 34 A I T X5S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 3,-0.5 0.762 129.3 31.3-104.5 -64.8 16.4 68.1 97.8 35 35 A F T 4> -C 147 0B 8 -2,-0.3 3,-2.3 103,-0.2 4,-0.9 -0.941 29.4-118.8-127.3 147.3 31.2 66.1 81.4 45 45 A D G >4 S+ 0 0 52 101,-2.0 3,-0.8 -2,-0.3 102,-0.1 0.861 113.6 65.2 -46.6 -39.6 34.9 66.7 80.9 46 46 A S G 34 S+ 0 0 30 1,-0.3 -1,-0.3 2,-0.2 135,-0.1 0.660 101.8 48.9 -62.3 -16.9 34.3 66.0 77.2 47 47 A L G <4 S+ 0 0 16 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.686 124.5 26.4 -97.5 -22.0 32.2 69.1 76.9 48 48 A I S << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 -0.397 75.8 142.9-134.5 59.4 34.6 71.5 78.6 49 49 A P + 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.806 54.9 61.0 -74.6 -27.0 38.0 70.0 78.0 50 50 A A S > S- 0 0 40 1,-0.1 3,-2.7 -3,-0.1 18,-0.3 -0.727 96.1 -87.9-110.2 150.7 40.1 73.1 77.5 51 51 A P T 3 S+ 0 0 73 0, 0.0 18,-0.2 0, 0.0 -1,-0.1 -0.212 115.7 23.2 -51.1 134.3 40.9 76.0 79.7 52 52 A G T 3 S+ 0 0 5 16,-2.9 44,-2.4 1,-0.3 17,-0.1 0.183 88.7 133.8 91.8 -15.1 38.2 78.7 79.4 53 53 A D E < +E 95 0C 11 -3,-2.7 15,-2.6 42,-0.2 -1,-0.3 -0.400 31.2 172.6 -66.0 139.8 35.6 76.2 78.1 54 54 A Y E -EF 94 67C 14 40,-2.5 40,-2.1 13,-0.2 2,-0.3 -0.994 21.3-171.4-145.2 159.4 32.3 76.7 79.8 55 55 A V E -EF 93 66C 8 11,-1.8 11,-2.9 -2,-0.3 2,-0.3 -0.921 24.2-124.3-135.3 163.4 28.6 75.5 79.7 56 56 A T E + F 0 65C 9 36,-1.8 2,-0.3 -2,-0.3 9,-0.2 -0.835 33.7 174.3-101.9 149.4 25.5 76.7 81.5 57 57 A A E - F 0 64C 2 7,-2.2 7,-3.2 -2,-0.3 2,-0.3 -0.958 28.9-115.9-144.7 159.6 23.5 74.2 83.5 58 58 A K E - F 0 63C 31 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.776 15.7-168.8 -93.2 147.7 20.6 74.2 85.8 59 59 A M E > S- F 0 62C 2 3,-2.6 3,-1.9 -2,-0.3 2,-0.3 -0.912 75.7 -49.5-129.6 100.0 20.9 73.1 89.5 60 60 A G T 3 S- 0 0 1 -2,-0.4 -29,-0.0 1,-0.3 -24,-0.0 -0.547 121.7 -27.8 64.9-128.2 17.3 72.8 90.6 61 61 A I T 3 S+ 0 0 73 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.533 122.2 96.5 -93.2 -5.3 15.7 76.1 89.4 62 62 A D E < -F 59 0C 73 -3,-1.9 -3,-2.6 16,-0.0 2,-0.4 -0.509 68.1-137.8 -81.0 150.8 19.0 78.0 89.6 63 63 A E E -F 58 0C 69 -5,-0.2 16,-2.6 -2,-0.2 2,-0.3 -0.914 22.4-172.8-109.2 137.6 21.3 78.5 86.6 64 64 A V E -FG 57 78C 0 -7,-3.2 -7,-2.2 -2,-0.4 2,-0.5 -0.907 23.8-132.4-127.4 155.5 25.1 78.1 86.9 65 65 A I E -FG 56 77C 1 12,-3.4 12,-2.2 -2,-0.3 2,-0.5 -0.916 21.4-160.1-102.0 131.0 28.1 78.7 84.7 66 66 A V E -FG 55 76C 0 -11,-2.9 -11,-1.8 -2,-0.5 2,-0.4 -0.966 17.6-177.3-118.9 115.9 30.5 75.7 84.8 67 67 A S E -FG 54 75C 0 8,-2.7 8,-2.1 -2,-0.5 2,-0.6 -0.932 30.3-128.6-130.9 135.0 34.0 76.6 83.7 68 68 A R E - G 0 74C 27 -15,-2.6 -16,-2.9 -2,-0.4 6,-0.2 -0.704 33.9-145.2 -77.5 116.9 37.3 74.9 83.1 69 69 A Q > - 0 0 17 4,-2.6 3,-1.7 -2,-0.6 -16,-0.1 -0.300 24.0-105.8 -78.4 164.9 40.0 76.8 85.0 70 70 A N T 3 S+ 0 0 147 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.844 120.1 56.0 -61.0 -33.7 43.7 77.3 83.8 71 71 A D T 3 S- 0 0 132 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.340 121.6-105.7 -81.2 3.4 44.9 74.7 86.4 72 72 A G S < S+ 0 0 38 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.294 83.0 117.7 92.6 -11.2 42.5 72.0 85.0 73 73 A S - 0 0 50 -5,-0.1 -4,-2.6 1,-0.0 2,-0.4 -0.269 60.3-125.3 -79.3 173.4 40.0 72.0 87.8 74 74 A I E -G 68 0C 21 -6,-0.2 2,-0.3 67,-0.1 -6,-0.2 -0.987 23.7-175.2-122.2 131.8 36.3 73.0 87.2 75 75 A R E -G 67 0C 77 -8,-2.1 -8,-2.7 -2,-0.4 2,-0.4 -0.920 8.1-155.4-120.1 153.9 34.5 75.7 89.2 76 76 A A E -G 66 0C 0 62,-0.4 62,-2.7 -2,-0.3 2,-0.3 -0.966 11.2-177.8-131.6 143.6 30.8 76.6 89.0 77 77 A F E -GH 65 137C 3 -12,-2.2 -12,-3.4 -2,-0.4 60,-0.2 -0.985 37.6 -91.2-138.7 151.1 29.1 79.9 89.8 78 78 A L E -G 64 0C 24 58,-2.9 2,-1.8 -2,-0.3 -14,-0.3 -0.320 37.2-127.3 -57.7 138.7 25.6 81.3 89.9 79 79 A N S S+ 0 0 2 -16,-2.6 9,-0.6 56,-0.1 2,-0.4 -0.403 75.8 108.9 -89.7 57.3 24.8 82.9 86.5 80 80 A V B S-I 87 0D 59 -2,-1.8 56,-0.4 7,-0.2 7,-0.2 -0.985 72.0-117.7-142.5 123.3 23.8 86.1 88.2 81 81 A C > - 0 0 7 5,-3.0 4,-0.9 -2,-0.4 53,-0.1 -0.388 15.9-138.7 -63.0 135.9 25.6 89.4 88.3 82 82 A R T 4 S+ 0 0 106 51,-0.2 -1,-0.1 2,-0.1 52,-0.1 0.499 94.4 56.9 -72.5 -7.1 26.7 90.6 91.8 83 83 A H T 4 S- 0 0 58 3,-0.1 -1,-0.1 50,-0.0 -3,-0.0 0.894 132.0 -13.9 -86.7 -86.3 25.7 94.2 91.1 84 84 A R T 4 S- 0 0 189 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.276 94.5-104.1-110.3 10.9 22.0 94.3 90.1 85 85 A G < + 0 0 43 -4,-0.9 -3,-0.1 1,-0.2 2,-0.1 0.621 59.5 156.6 90.5 14.8 21.2 90.6 89.5 86 86 A K - 0 0 69 -6,-0.1 -5,-3.0 1,-0.1 2,-0.4 -0.358 55.0 -97.9 -70.5 152.2 21.1 90.3 85.7 87 87 A T B -I 80 0D 68 -7,-0.2 15,-0.3 1,-0.2 -7,-0.2 -0.565 37.0-157.8 -72.7 123.4 21.7 87.0 84.1 88 88 A L S S+ 0 0 11 -9,-0.6 2,-0.5 -2,-0.4 14,-0.2 0.961 70.0 39.1 -71.2 -50.9 25.4 87.1 83.1 89 89 A V - 0 0 10 1,-0.1 -1,-0.2 -10,-0.1 12,-0.0 -0.886 53.3-180.0-109.5 124.9 25.7 84.5 80.3 90 90 A S + 0 0 105 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.396 60.2 77.5-104.1 3.8 22.9 84.0 77.7 91 91 A V S S- 0 0 19 1,-0.1 428,-0.2 426,-0.0 3,-0.1 -0.600 74.4-130.5-107.0 176.5 24.5 81.2 75.7 92 92 A E S S+ 0 0 12 426,-2.7 -36,-1.8 1,-0.3 2,-0.3 0.699 82.7 0.2-100.1 -25.7 24.7 77.4 76.4 93 93 A A E +E 55 0C 0 425,-1.0 427,-0.5 -38,-0.2 -1,-0.3 -0.988 69.7 127.5-161.5 154.8 28.4 76.8 75.8 94 94 A G E -E 54 0C 0 -40,-2.1 -40,-2.5 -2,-0.3 2,-0.4 -0.986 46.9 -94.2 178.9-170.9 31.5 78.7 74.7 95 95 A N E +E 53 0C 11 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.995 50.8 136.8-132.5 127.5 35.2 79.5 75.4 96 96 A A - 0 0 17 -44,-2.4 3,-0.1 -2,-0.4 -2,-0.1 -0.975 53.1-133.2-163.2 159.5 36.2 82.6 77.3 97 97 A K S S- 0 0 156 -2,-0.3 13,-1.8 1,-0.2 2,-0.3 0.550 90.6 -9.8 -90.6 -10.0 38.5 84.1 79.9 98 98 A G E -J 109 0E 26 11,-0.3 2,-0.4 12,-0.1 11,-0.3 -0.973 62.9-115.8-170.8 176.9 35.7 86.0 81.6 99 99 A F E -J 108 0E 13 9,-2.6 9,-2.8 -2,-0.3 2,-0.4 -0.996 20.0-155.2-131.4 128.0 32.1 87.2 81.4 100 100 A V E -J 107 0E 98 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.893 20.0-125.0-105.8 132.4 31.0 90.8 81.1 101 101 A C > - 0 0 3 5,-3.0 4,-1.3 -2,-0.4 -13,-0.1 -0.621 10.1-147.2 -77.9 131.3 27.5 91.9 82.3 102 102 A S T 4 S+ 0 0 90 -2,-0.4 -1,-0.1 -15,-0.3 -14,-0.1 0.500 88.1 65.5 -77.3 -3.9 25.6 93.7 79.6 103 103 A Y T 4 S- 0 0 150 3,-0.1 -1,-0.1 1,-0.0 -3,-0.0 0.974 129.2 -10.6 -80.3 -67.6 23.7 95.9 82.1 104 104 A H T 4 S- 0 0 78 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.246 97.2-107.4-117.9 8.2 26.5 98.1 83.6 105 105 A G < + 0 0 22 -4,-1.3 -3,-0.1 1,-0.2 2,-0.0 0.582 53.9 163.6 83.3 11.5 29.6 96.3 82.2 106 106 A W - 0 0 12 11,-0.1 -5,-3.0 -6,-0.1 2,-0.5 -0.344 26.3-146.8 -63.0 140.0 31.1 94.5 85.3 107 107 A G E -JK 100 116E 3 9,-3.1 8,-2.7 -7,-0.2 9,-1.8 -0.957 14.7-171.7-123.7 124.6 33.5 91.9 84.2 108 108 A F E -JK 99 114E 1 -9,-2.8 -9,-2.6 -2,-0.5 6,-0.2 -0.843 20.0-123.8-109.7 148.3 34.1 88.7 86.0 109 109 A G E > -J 98 0E 0 4,-2.5 3,-2.3 -2,-0.3 -11,-0.3 -0.339 32.2-101.3 -84.1 169.6 36.8 86.1 85.3 110 110 A S T 3 S+ 0 0 15 -13,-1.8 -35,-0.2 1,-0.3 -43,-0.1 0.659 125.5 60.2 -56.1 -23.0 36.4 82.4 84.5 111 111 A N T 3 S- 0 0 39 -14,-0.3 -1,-0.3 2,-0.1 -35,-0.1 0.261 120.4-109.9 -90.3 8.5 37.4 82.0 88.2 112 112 A G S < S+ 0 0 3 -3,-2.3 23,-2.4 1,-0.2 -2,-0.1 0.280 71.6 138.2 87.9 -11.7 34.4 84.0 89.4 113 113 A E - 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0 0 1 -3,-2.8 4,-2.3 1,-0.2 -5,-0.3 -0.493 39.4-153.8 -65.6 120.0 12.2 59.9 70.6 357 357 A F H > S+ 0 0 0 -7,-1.8 4,-0.9 -2,-0.4 -1,-0.2 0.883 95.6 47.5 -70.7 -29.6 9.5 57.4 69.7 358 358 A W H >> S+ 0 0 6 -7,-1.0 3,-1.0 -8,-0.2 4,-0.6 0.962 110.4 51.4 -67.9 -50.0 10.2 55.5 72.9 359 359 A E H >> S+ 0 0 21 -8,-2.0 3,-1.2 1,-0.3 4,-0.7 0.863 103.5 60.6 -56.2 -36.9 10.2 58.6 75.0 360 360 A S H >X S+ 0 0 21 -4,-2.3 3,-0.8 -9,-0.3 4,-0.5 0.842 94.0 62.9 -59.9 -34.8 6.8 59.6 73.5 361 361 A D H << S+ 0 0 19 -3,-1.0 4,-0.4 -4,-0.9 -1,-0.3 0.802 105.1 48.0 -55.5 -33.3 5.2 56.4 74.8 362 362 A D H S+ 0 0 73 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.941 115.2 37.0 -58.7 -49.7 1.9 58.3 81.7 366 366 A M H X S+ 0 0 16 -4,-2.6 4,-1.9 2,-0.2 -172,-0.4 0.927 117.9 48.7 -71.7 -43.7 4.1 60.9 83.4 367 367 A E H X S+ 0 0 8 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.951 115.7 41.4 -64.8 -49.9 2.1 63.9 82.7 368 368 A T H X S+ 0 0 65 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.902 112.4 53.7 -69.5 -39.1 -1.3 62.5 83.8 369 369 A A H X S+ 0 0 36 -4,-1.7 4,-0.6 -5,-0.4 -1,-0.2 0.902 114.5 43.8 -58.2 -39.6 0.1 60.8 86.9 370 370 A S H >< S+ 0 0 0 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.934 114.2 47.3 -70.6 -44.3 1.7 64.1 87.9 371 371 A Q H >X S+ 0 0 66 -4,-2.7 3,-2.0 1,-0.3 4,-0.5 0.843 103.0 62.9 -70.1 -30.0 -1.3 66.2 87.2 372 372 A N H >< S+ 0 0 53 -4,-2.5 3,-1.0 1,-0.3 -1,-0.3 0.784 88.7 73.3 -64.0 -23.0 -3.7 63.8 89.0 373 373 A G T << S+ 0 0 1 -3,-0.9 -351,-0.4 -4,-0.6 -1,-0.3 0.588 94.4 51.1 -64.3 -16.5 -1.7 64.7 92.1 374 374 A K T <4 S+ 0 0 75 -3,-2.0 -1,-0.2 -353,-0.1 -2,-0.2 0.614 85.2 107.2 -91.9 -19.3 -3.4 68.1 92.1 375 375 A K S XX S- 0 0 111 -3,-1.0 3,-1.7 -4,-0.5 4,-1.3 -0.412 75.5-126.2 -70.3 133.9 -6.9 66.7 91.9 376 376 A Y G >4 S+ 0 0 175 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.839 104.9 45.8 -49.4 -49.8 -8.8 67.0 95.1 377 377 A Q G 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.550 116.3 47.4 -77.3 -5.3 -9.9 63.3 95.5 378 378 A S G X4 S+ 0 0 36 -3,-1.7 3,-1.8 -6,-0.2 -360,-0.4 0.606 84.7 86.5-107.3 -16.6 -6.4 62.1 94.7 379 379 A R T << S+ 0 0 118 -4,-1.3 -360,-2.0 -3,-0.5 -359,-0.2 0.874 99.1 36.5 -55.6 -46.3 -4.2 64.2 96.9 380 380 A D T 3 S+ 0 0 104 -4,-0.4 -1,-0.3 -362,-0.2 2,-0.1 0.234 96.5 110.3 -90.4 13.0 -4.4 62.0 99.9 381 381 A S < - 0 0 51 -3,-1.8 -363,-2.5 1,-0.1 2,-0.6 -0.402 69.6-113.1 -88.3 164.2 -4.5 58.7 97.9 382 382 A D E -B 17 0A 85 -365,-0.2 2,-0.4 -2,-0.1 -365,-0.2 -0.877 11.6-147.5-109.8 120.6 -1.5 56.3 98.0 383 383 A L E -B 16 0A 40 -367,-3.6 -367,-1.8 -2,-0.6 2,-0.3 -0.720 31.0-129.2 -74.8 130.7 0.7 55.5 95.0 384 384 A L E +B 15 0A 120 -2,-0.4 -369,-0.2 -369,-0.2 -370,-0.1 -0.669 40.5 160.0 -91.5 135.3 1.8 51.9 95.4 385 385 A S + 0 0 0 -371,-2.5 -370,-0.1 -2,-0.3 29,-0.1 -0.270 38.3 116.9-141.4 51.6 5.4 50.6 95.3 386 386 A N > + 0 0 95 2,-0.1 3,-2.1 3,-0.1 2,-0.3 0.400 29.4 130.2-103.0 0.3 5.1 47.2 97.1 387 387 A L T 3 S+ 0 0 64 1,-0.3 23,-2.4 -373,-0.1 24,-0.1 -0.389 84.6 5.1 -62.3 118.8 6.1 44.9 94.2 388 388 A G T > S+ 0 0 27 1,-0.3 3,-1.6 -2,-0.3 4,-0.3 0.499 86.8 156.5 88.9 2.5 8.8 42.5 95.6 389 389 A F T < + 0 0 50 -3,-2.1 -1,-0.3 1,-0.3 55,-0.1 -0.485 64.6 27.5 -66.7 134.1 8.6 43.7 99.2 390 390 A G T 3 S+ 0 0 9 53,-0.4 -1,-0.3 -2,-0.2 54,-0.1 0.529 109.3 72.5 88.4 13.7 9.8 41.1 101.6 391 391 A E < + 0 0 146 -3,-1.6 14,-0.5 56,-0.1 2,-0.2 0.237 69.5 107.6-130.3 3.4 12.1 39.4 99.1 392 392 A D - 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0 0 8 -3,-1.4 3,-0.1 -4,-0.2 -423,-0.0 -0.818 61.3-153.9-115.7 150.5 15.3 66.8 107.7 427 427 A S S S- 0 0 83 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.631 76.9 -1.6 -95.4 -18.1 16.9 70.2 108.1 428 428 A N S > S- 0 0 53 1,-0.0 4,-1.9 -273,-0.0 3,-0.2 -0.961 83.4 -84.5-160.6 177.0 20.5 69.3 107.3 429 429 A W H > S+ 0 0 8 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.849 120.6 58.4 -63.5 -35.4 22.7 66.4 106.3 430 430 A A H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 107.7 46.7 -63.5 -40.6 23.2 65.4 110.0 431 431 A E H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 109.2 54.5 -68.5 -35.2 19.6 64.9 110.5 432 432 A F H X S+ 0 0 0 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.929 108.2 50.7 -61.4 -42.8 19.3 62.9 107.2 433 433 A E H >< S+ 0 0 57 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.934 110.4 48.4 -62.0 -39.9 22.0 60.6 108.5 434 434 A H H >< S+ 0 0 155 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.875 111.2 49.9 -67.9 -37.4 20.2 60.1 111.7 435 435 A A H 3< S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.622 114.7 46.8 -73.6 -11.3 17.0 59.4 109.9 436 436 A S T X< S+ 0 0 0 -3,-0.9 3,-1.7 -4,-0.8 4,-0.2 0.283 72.9 110.0-116.8 10.7 18.9 56.9 107.7 437 437 A S T < S+ 0 0 90 -3,-0.8 -1,-0.1 -4,-0.3 -2,-0.1 0.694 92.9 31.7 -61.1 -25.6 20.8 54.9 110.3 438 438 A T T 3> S+ 0 0 81 -3,-0.2 4,-2.5 -4,-0.2 -1,-0.3 -0.065 80.2 133.3-121.0 34.8 18.6 51.8 109.7 439 439 A W H <> S+ 0 0 19 -3,-1.7 4,-2.2 1,-0.2 5,-0.1 0.909 72.9 44.7 -52.9 -53.1 17.9 52.4 105.9 440 440 A H H > S+ 0 0 52 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.895 113.4 51.1 -70.2 -31.3 18.6 48.8 104.7 441 441 A T H > S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.917 108.7 51.7 -66.2 -42.0 16.7 47.2 107.6 442 442 A E H < S+ 0 0 41 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.944 112.9 47.2 -60.5 -41.4 13.7 49.5 106.8 443 443 A L H < S+ 0 0 1 -4,-2.2 -53,-0.4 1,-0.2 -2,-0.2 0.771 118.0 36.9 -72.9 -28.6 13.9 48.3 103.2 444 444 A T H >< S+ 0 0 19 -4,-1.9 3,-3.4 -5,-0.1 -1,-0.2 0.436 78.7 137.5-101.9 -0.8 14.2 44.5 103.7 445 445 A K T 3< + 0 0 94 -4,-1.2 -1,-0.1 -3,-0.4 -2,-0.1 0.571 68.9 39.9 -11.5 -76.0 11.9 44.3 106.7 446 446 A T T 3 0 0 112 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.479 360.0 360.0 -72.3 0.4 9.8 41.2 106.1 447 447 A T < 0 0 85 -3,-3.4 -56,-0.1 -55,-0.1 -57,-0.1 -0.917 360.0 360.0-104.5 360.0 12.8 39.2 104.7 448 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 449 502 B M 0 0 168 0, 0.0 2,-0.3 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 -48.9 23.8 89.2 46.2 450 503 B I - 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