==== 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 1O7N . 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) . 26679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 71.4 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 . 142 22.2 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 71 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 1 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 91 0, 0.0 2,-0.9 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 139.0 2.1 71.4 106.0 2 2 A N >> - 0 0 83 1,-0.1 4,-2.9 2,-0.0 3,-0.7 -0.826 360.0-170.5 -92.9 105.2 4.5 70.4 108.8 3 3 A Y T 34 S+ 0 0 26 -2,-0.9 -1,-0.1 1,-0.2 5,-0.1 0.557 79.8 67.0 -80.1 -3.2 7.2 68.4 107.0 4 4 A N T 34 S+ 0 0 104 1,-0.1 -1,-0.2 3,-0.0 421,-0.1 0.859 120.8 17.7 -74.1 -34.5 8.8 67.3 110.3 5 5 A N T <4 S+ 0 0 123 -3,-0.7 -2,-0.2 2,-0.0 2,-0.1 0.751 93.7 107.2-109.5 -31.2 5.6 65.2 111.0 6 6 A K < - 0 0 67 -4,-2.9 2,-1.2 1,-0.1 3,-0.2 -0.303 63.8-136.9 -59.8 124.2 3.7 64.7 107.8 7 7 A I + 0 0 117 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.703 39.7 157.1 -82.4 97.2 4.0 61.1 106.5 8 8 A L S S+ 0 0 1 -2,-1.2 9,-2.6 1,-0.3 2,-0.4 0.741 72.8 33.8 -87.2 -31.4 4.5 61.7 102.8 9 9 A V B S-A 16 0A 10 7,-0.2 -1,-0.3 -3,-0.2 7,-0.2 -0.999 88.1-131.1-126.7 127.9 6.1 58.3 102.4 10 10 A S > - 0 0 33 5,-2.2 3,-2.0 -2,-0.4 5,-0.1 -0.171 46.1 -64.4 -76.0 167.2 5.0 55.3 104.5 11 11 A E G > S+ 0 0 124 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 -0.266 123.8 13.6 -52.1 139.0 7.4 53.0 106.4 12 12 A S G 3 S- 0 0 4 1,-0.3 -1,-0.3 -3,-0.1 406,-0.1 0.535 121.1 -85.0 70.5 9.3 9.8 51.0 104.1 13 13 A G G < S+ 0 0 0 -3,-2.0 -1,-0.3 404,-0.1 -2,-0.2 0.727 86.0 144.6 69.1 22.8 8.9 53.3 101.2 14 14 A L < + 0 0 46 -3,-1.2 371,-2.9 1,-0.1 2,-0.3 0.721 67.3 1.1 -69.9 -27.7 5.8 51.1 100.5 15 15 A S E - B 0 384A 21 369,-0.2 -5,-2.2 -5,-0.1 2,-0.3 -0.987 59.8-151.2-154.6 163.5 3.6 54.0 99.4 16 16 A Q E -AB 9 383A 4 367,-2.0 367,-3.3 -2,-0.3 2,-0.2 -0.993 32.4-103.7-136.3 146.6 3.6 57.8 98.8 17 17 A K E > - B 0 382A 35 -9,-2.6 3,-2.1 -2,-0.3 365,-0.2 -0.483 28.7-132.7 -67.4 131.8 0.9 60.4 99.0 18 18 A H G > S+ 0 0 21 363,-2.6 3,-2.1 360,-0.4 4,-0.3 0.787 99.2 75.5 -57.0 -30.1 -0.1 61.4 95.5 19 19 A L G >> S+ 0 0 14 360,-2.2 4,-2.5 362,-0.3 3,-1.9 0.719 74.7 80.6 -56.0 -21.7 0.1 65.1 96.4 20 20 A I G <4 S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.827 92.2 49.7 -60.5 -23.1 3.9 64.8 96.3 21 21 A H G <4 S+ 0 0 2 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.552 124.2 26.9 -87.5 -3.4 3.6 65.1 92.4 22 22 A G T <4 S+ 0 0 2 -3,-1.9 2,-0.5 351,-0.4 -2,-0.2 0.574 83.4 109.8-131.8 -14.9 1.4 68.2 92.6 23 23 A D X - 0 0 45 -4,-2.5 4,-2.0 1,-0.2 5,-0.1 -0.549 43.3-164.3 -80.3 120.3 1.8 70.3 95.7 24 24 A E H > S+ 0 0 68 -2,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.831 89.4 55.8 -72.6 -33.3 3.5 73.6 95.0 25 25 A E H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 109.9 47.4 -64.2 -39.2 4.3 74.3 98.7 26 26 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.907 107.7 55.7 -67.0 -38.3 6.2 71.0 98.7 27 27 A F H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.944 108.4 47.8 -57.9 -46.6 7.9 71.8 95.5 28 28 A Q H X S+ 0 0 114 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.903 111.1 51.4 -60.0 -38.2 9.2 75.0 97.2 29 29 A H H X S+ 0 0 32 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.864 105.2 56.2 -67.4 -34.8 10.3 72.9 100.2 30 30 A E H X>S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-2.5 0.823 95.6 65.4 -64.3 -31.6 12.1 70.5 97.9 31 31 A L H <>S+ 0 0 29 -4,-1.6 5,-1.4 -5,-0.2 -1,-0.2 0.921 113.2 33.7 -57.3 -39.9 14.1 73.4 96.5 32 32 A K H <5S+ 0 0 133 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.924 129.0 32.1 -76.9 -47.6 15.6 73.7 100.0 33 33 A T H <5S+ 0 0 2 -4,-2.6 -3,-0.2 3,-0.1 -2,-0.2 0.660 132.8 23.1 -96.9 -14.9 15.8 70.1 101.2 34 34 A I T X5S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 3,-0.4 0.744 129.2 32.3-109.6 -63.5 16.4 68.2 98.0 35 35 A F T 4> -C 147 0B 6 -2,-0.3 3,-2.2 103,-0.2 4,-1.1 -0.951 30.0-116.0-125.8 151.9 31.2 66.2 81.5 45 45 A D G >4 S+ 0 0 54 101,-2.4 3,-0.6 -2,-0.3 102,-0.1 0.851 114.4 65.2 -46.5 -39.2 34.9 66.8 81.0 46 46 A S G 34 S+ 0 0 28 1,-0.2 -1,-0.3 100,-0.2 138,-0.1 0.673 101.8 48.2 -62.0 -19.9 34.2 66.1 77.3 47 47 A L G <4 S+ 0 0 18 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.670 125.1 26.3 -96.7 -21.3 32.1 69.3 77.1 48 48 A I S << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 -0.391 75.4 144.0-134.4 59.8 34.5 71.6 78.8 49 49 A P + 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.776 54.9 58.8 -74.0 -26.5 37.9 70.1 78.2 50 50 A A S > S- 0 0 40 -3,-0.1 3,-2.5 1,-0.1 18,-0.3 -0.747 96.2 -86.3-110.5 150.1 40.1 73.2 77.7 51 51 A P T 3 S+ 0 0 72 0, 0.0 18,-0.2 0, 0.0 19,-0.1 -0.250 116.5 23.6 -49.2 133.5 40.9 76.1 80.0 52 52 A G T 3 S+ 0 0 7 16,-2.8 44,-2.3 1,-0.4 2,-0.1 0.160 88.4 131.4 92.1 -19.8 38.2 78.8 79.5 53 53 A D E < +E 95 0C 11 -3,-2.5 15,-2.8 42,-0.3 -1,-0.4 -0.454 32.4 170.5 -63.8 140.5 35.6 76.4 78.3 54 54 A Y E -EF 94 67C 13 40,-2.7 40,-2.1 13,-0.2 2,-0.3 -0.974 20.6-170.2-145.9 161.3 32.3 76.8 80.0 55 55 A V E -EF 93 66C 9 11,-1.8 11,-3.2 -2,-0.3 2,-0.4 -0.933 24.1-122.4-137.4 163.8 28.6 75.7 79.9 56 56 A T E + F 0 65C 9 36,-2.0 2,-0.3 -2,-0.3 9,-0.2 -0.835 34.0 173.4-100.7 148.9 25.5 76.8 81.7 57 57 A A E - F 0 64C 2 7,-2.2 7,-3.0 -2,-0.4 2,-0.3 -0.964 29.1-115.8-143.5 160.2 23.5 74.3 83.7 58 58 A K E - F 0 63C 29 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.788 16.4-170.2 -95.4 148.5 20.6 74.3 86.0 59 59 A M E > S- F 0 62C 1 3,-2.6 3,-1.8 -2,-0.3 2,-0.2 -0.914 75.3 -47.9-130.4 101.6 20.9 73.2 89.7 60 60 A G T 3 S- 0 0 1 -2,-0.4 -29,-0.0 1,-0.3 -24,-0.0 -0.563 121.4 -28.9 64.1-132.0 17.3 73.0 90.8 61 61 A I T 3 S+ 0 0 79 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.513 122.9 95.5 -91.6 -5.2 15.7 76.2 89.5 62 62 A D E < -F 59 0C 74 -3,-1.8 -3,-2.6 16,-0.0 2,-0.4 -0.469 67.9-138.3 -81.5 154.2 19.0 78.1 89.8 63 63 A E E -F 58 0C 69 -5,-0.2 16,-2.8 -2,-0.1 2,-0.3 -0.957 21.1-171.7-112.5 138.1 21.3 78.5 86.8 64 64 A V E -FG 57 78C 0 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.5 -0.875 23.1-131.7-127.3 153.6 25.1 78.2 87.1 65 65 A I E -FG 56 77C 1 12,-2.8 12,-2.3 -2,-0.3 2,-0.5 -0.932 22.0-158.6 -99.2 131.1 28.1 78.8 84.9 66 66 A V E -FG 55 76C 0 -11,-3.2 -11,-1.8 -2,-0.5 2,-0.4 -0.956 17.4-175.1-117.7 118.1 30.5 75.8 85.0 67 67 A S E -FG 54 75C 0 8,-2.9 8,-2.2 -2,-0.5 2,-0.6 -0.937 28.9-129.9-129.5 133.1 34.0 76.7 83.9 68 68 A R E - G 0 74C 28 -15,-2.8 -16,-2.8 -2,-0.4 6,-0.2 -0.666 34.4-143.1 -76.4 119.3 37.3 75.0 83.3 69 69 A Q > - 0 0 16 4,-3.0 3,-1.8 -2,-0.6 -16,-0.1 -0.312 22.3-107.5 -79.6 163.0 40.0 76.8 85.3 70 70 A N T 3 S+ 0 0 143 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.793 119.6 55.9 -62.0 -29.5 43.6 77.4 84.1 71 71 A D T 3 S- 0 0 131 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.362 123.2-103.9 -85.7 5.2 44.9 74.8 86.6 72 72 A G S < S+ 0 0 39 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.382 84.1 119.1 91.2 -8.6 42.6 72.2 85.1 73 73 A S - 0 0 48 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.310 59.1-126.3 -80.4 173.5 40.0 72.2 87.9 74 74 A I E -G 68 0C 22 -6,-0.2 2,-0.3 67,-0.1 -6,-0.2 -0.989 23.8-177.1-123.4 133.2 36.3 73.1 87.4 75 75 A R E -G 67 0C 79 -8,-2.2 -8,-2.9 -2,-0.4 2,-0.4 -0.930 9.0-155.3-124.0 153.9 34.5 75.8 89.4 76 76 A A E -G 66 0C 0 62,-0.4 62,-2.7 -2,-0.3 2,-0.3 -0.980 10.7-176.7-132.0 145.6 30.8 76.7 89.1 77 77 A F E -GH 65 137C 3 -12,-2.3 -12,-2.8 -2,-0.4 60,-0.2 -0.974 37.1 -91.9-140.7 148.5 29.0 80.0 90.0 78 78 A L E -G 64 0C 24 58,-3.2 2,-1.9 -2,-0.3 -14,-0.3 -0.356 37.7-125.8 -57.5 137.8 25.5 81.3 90.1 79 79 A N S S+ 0 0 2 -16,-2.8 9,-0.5 56,-0.1 2,-0.4 -0.341 76.7 108.2 -85.2 59.0 24.7 83.0 86.7 80 80 A V S S- 0 0 58 -2,-1.9 56,-0.4 7,-0.2 7,-0.2 -0.991 71.7-119.8-143.1 123.0 23.8 86.2 88.5 81 81 A C > - 0 0 6 5,-2.9 4,-1.0 -2,-0.4 -2,-0.0 -0.411 16.4-136.7 -65.7 139.5 25.7 89.5 88.5 82 82 A R T 4 S+ 0 0 102 51,-0.2 -1,-0.1 2,-0.1 52,-0.0 0.517 94.3 59.8 -75.8 -6.3 26.7 90.7 92.0 83 83 A H T 4 S- 0 0 58 3,-0.1 -1,-0.1 23,-0.0 -3,-0.0 0.903 131.0 -16.0 -84.1 -87.0 25.7 94.3 91.2 84 84 A R T 4 S- 0 0 190 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.179 95.2-103.8-108.3 16.6 21.9 94.4 90.4 85 85 A G < + 0 0 40 -4,-1.0 -3,-0.1 1,-0.2 3,-0.1 0.633 59.9 157.9 84.7 15.3 21.3 90.8 89.7 86 86 A K - 0 0 69 -6,-0.1 -5,-2.9 1,-0.1 2,-0.4 -0.312 54.7 -96.7 -69.8 152.5 21.1 90.5 85.9 87 87 A T - 0 0 67 -7,-0.2 15,-0.3 1,-0.2 -7,-0.2 -0.601 36.5-157.2 -71.4 127.6 21.8 87.1 84.3 88 88 A L S S+ 0 0 12 -9,-0.5 2,-0.5 -2,-0.4 14,-0.2 0.945 70.6 39.6 -75.4 -48.1 25.4 87.2 83.3 89 89 A V - 0 0 10 1,-0.1 -1,-0.2 -10,-0.1 12,-0.0 -0.903 52.5-179.4-113.2 126.7 25.6 84.6 80.5 90 90 A S + 0 0 105 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.368 61.0 76.7-107.2 4.3 22.9 84.1 77.9 91 91 A V S S- 0 0 16 1,-0.1 428,-0.2 426,-0.0 3,-0.1 -0.617 73.9-131.3-111.9 172.1 24.5 81.3 76.0 92 92 A E S S+ 0 0 12 426,-2.5 -36,-2.0 1,-0.3 2,-0.3 0.711 82.7 0.4 -96.0 -25.4 24.7 77.5 76.7 93 93 A A E +E 55 0C 0 425,-1.1 427,-0.5 -38,-0.3 -1,-0.3 -0.983 68.6 124.3-161.0 156.4 28.4 77.0 76.0 94 94 A G E -E 54 0C 0 -40,-2.1 -40,-2.7 -2,-0.3 2,-0.4 -0.978 48.8 -92.4 175.7-170.1 31.6 78.8 74.9 95 95 A N E +E 53 0C 18 -2,-0.3 2,-0.3 -42,-0.3 -42,-0.3 -0.989 50.6 142.2-133.4 126.6 35.2 79.6 75.7 96 96 A A - 0 0 16 -44,-2.3 3,-0.1 -2,-0.4 -2,-0.1 -0.991 52.2-134.4-159.5 155.5 36.1 82.8 77.6 97 97 A K S S- 0 0 178 -2,-0.3 13,-2.0 1,-0.2 2,-0.3 0.532 90.9 -20.3 -87.5 -9.6 38.5 84.2 80.2 98 98 A G E -I 109 0D 24 11,-0.3 2,-0.4 12,-0.1 11,-0.3 -0.978 64.5-105.3-178.3-176.0 35.6 86.0 81.9 99 99 A F E -I 108 0D 11 9,-2.6 9,-2.9 -2,-0.3 2,-0.5 -0.997 20.9-154.3-137.0 125.5 32.0 87.3 81.6 100 100 A V E -I 107 0D 97 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.879 21.9-123.4-105.2 130.4 30.9 90.9 81.3 101 101 A C > - 0 0 3 5,-3.1 4,-1.3 -2,-0.5 -13,-0.1 -0.533 9.5-144.9 -75.6 132.4 27.5 92.0 82.5 102 102 A S T 4 S+ 0 0 90 -15,-0.3 -1,-0.1 -2,-0.3 -14,-0.1 0.466 90.8 61.7 -74.4 -4.2 25.4 93.7 79.8 103 103 A Y T 4 S- 0 0 151 3,-0.1 -1,-0.1 -17,-0.0 -3,-0.0 0.945 130.0 -9.2 -86.2 -69.0 23.8 96.0 82.3 104 104 A H T 4 S- 0 0 80 2,-0.1 -2,-0.2 0, 0.0 -3,-0.0 0.313 95.5-109.7-115.6 6.5 26.6 98.1 83.8 105 105 A G < + 0 0 22 -4,-1.3 -3,-0.1 1,-0.2 2,-0.1 0.627 52.1 166.6 84.0 9.7 29.6 96.3 82.4 106 106 A W - 0 0 12 11,-0.1 -5,-3.1 -6,-0.1 2,-0.5 -0.382 26.1-144.4 -58.0 137.2 31.0 94.6 85.5 107 107 A G E -IJ 100 116D 4 9,-3.0 8,-2.5 -7,-0.2 9,-1.8 -0.925 15.8-171.1-116.4 122.7 33.6 92.0 84.4 108 108 A F E -IJ 99 114D 1 -9,-2.9 -9,-2.6 -2,-0.5 6,-0.2 -0.854 20.4-124.0-108.8 144.3 34.0 88.7 86.2 109 109 A G E > -I 98 0D 0 4,-2.7 3,-2.4 -2,-0.4 -11,-0.3 -0.351 30.9-103.7 -79.1 168.2 36.8 86.2 85.6 110 110 A S T 3 S+ 0 0 14 -13,-2.0 -35,-0.2 1,-0.3 -43,-0.1 0.657 125.7 61.0 -59.3 -17.4 36.3 82.5 84.7 111 111 A N T 3 S- 0 0 39 -14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.225 121.4-110.2 -93.3 11.6 37.3 82.1 88.4 112 112 A G S < S+ 0 0 2 -3,-2.4 23,-2.8 1,-0.2 -2,-0.1 0.339 71.6 140.4 83.3 -9.6 34.3 84.1 89.5 113 113 A E - 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0 0 2 -2,-0.5 -203,-0.4 -205,-0.3 -202,-0.3 -0.968 69.7-100.5-177.2-169.9 10.1 45.0 91.0 410 410 A E S > S+ 0 0 28 -23,-2.0 4,-1.9 -2,-0.3 3,-0.5 0.142 72.9 117.7-122.8 20.4 9.8 48.2 93.0 411 411 A T H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.902 79.6 49.0 -50.0 -47.5 13.0 47.8 95.2 412 412 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.790 105.7 55.6 -73.8 -27.2 14.5 51.0 93.8 413 413 A Y H > S+ 0 0 13 -3,-0.5 4,-2.7 -209,-0.3 5,-0.3 0.895 106.6 52.7 -63.7 -44.3 11.4 53.0 94.2 414 414 A R H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.930 111.3 45.0 -62.0 -40.3 11.4 52.2 97.9 415 415 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.867 112.6 51.5 -69.6 -35.3 15.0 53.3 98.3 416 416 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.950 115.0 41.5 -66.0 -47.4 14.5 56.5 96.4 417 417 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.812 109.1 58.5 -76.2 -26.5 11.4 57.5 98.4 418 418 A R H X S+ 0 0 8 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.987 110.8 42.4 -56.3 -58.7 12.9 56.5 101.7 419 419 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.844 112.4 55.8 -55.6 -40.4 15.8 58.9 101.1 420 420 A Y H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.940 108.7 45.7 -59.3 -50.3 13.3 61.5 99.8 421 421 A Q H X S+ 0 0 31 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.934 111.1 53.8 -58.9 -49.3 11.2 61.3 103.1 422 422 A A H < S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.4 42.4 -55.3 -41.8 14.4 61.5 105.2 423 423 A H H >< S+ 0 0 0 -4,-2.2 3,-1.5 2,-0.2 -1,-0.2 0.924 112.1 51.3 -69.7 -46.6 15.5 64.7 103.4 424 424 A V H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.833 114.6 44.8 -66.5 -23.8 12.1 66.5 103.3 425 425 A S T 3< S+ 0 0 32 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.3 0.399 105.2 79.8 -98.5 5.9 11.7 65.9 107.1 426 426 A S < - 0 0 7 -3,-1.5 3,-0.1 -4,-0.2 -423,-0.0 -0.834 61.0-155.3-117.3 147.9 15.3 67.0 107.9 427 427 A S S S- 0 0 82 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.593 77.6 -0.4 -96.7 -11.4 16.9 70.5 108.2 428 428 A N S > S- 0 0 52 1,-0.1 4,-1.9 -273,-0.0 5,-0.1 -0.955 84.5 -83.0-163.1 177.3 20.4 69.5 107.3 429 429 A W H > S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.847 120.7 57.4 -62.6 -38.0 22.7 66.6 106.5 430 430 A A H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 107.9 47.3 -59.1 -41.7 23.2 65.5 110.1 431 431 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.877 109.2 53.6 -68.3 -39.7 19.5 65.1 110.5 432 432 A F H X S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.938 109.9 49.3 -57.2 -44.4 19.3 63.1 107.3 433 433 A E H >< S+ 0 0 57 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.936 110.4 49.2 -61.5 -43.5 22.1 60.8 108.6 434 434 A H H >< S+ 0 0 158 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.916 111.5 50.1 -61.3 -40.3 20.2 60.4 111.9 435 435 A A H 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.568 114.5 45.7 -73.3 -6.1 17.0 59.6 110.0 436 436 A S T X< S+ 0 0 0 -3,-1.3 3,-1.8 -4,-0.5 -1,-0.2 0.232 72.1 111.9-123.1 12.5 18.9 57.0 107.8 437 437 A S T < S+ 0 0 94 -3,-1.0 -1,-0.1 -4,-0.3 -2,-0.1 0.672 93.7 31.0 -64.4 -18.3 20.9 55.1 110.5 438 438 A T T 3> S+ 0 0 75 -4,-0.2 4,-2.3 -3,-0.1 -1,-0.3 -0.070 79.9 136.9-125.4 38.2 18.8 52.0 109.8 439 439 A W H <> S+ 0 0 19 -3,-1.8 4,-1.6 1,-0.2 -2,-0.1 0.848 73.5 43.5 -56.9 -41.9 18.1 52.7 106.1 440 440 A H H > S+ 0 0 54 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 110.7 53.6 -78.5 -34.7 18.7 49.1 104.9 441 441 A T H > S+ 0 0 64 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.920 108.2 51.8 -60.2 -43.6 16.8 47.4 107.8 442 442 A E H >< S+ 0 0 42 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.905 111.8 47.4 -60.6 -39.9 13.8 49.6 107.0 443 443 A L H 3< S+ 0 0 1 -4,-1.6 -53,-0.4 -5,-0.2 -1,-0.2 0.764 113.5 45.5 -75.0 -23.5 14.0 48.5 103.4 444 444 A T H >< S+ 0 0 27 -4,-1.6 3,-2.0 -3,-0.2 -1,-0.2 0.443 78.6 142.6 -99.8 1.5 14.3 44.8 104.0 445 445 A K T << + 0 0 72 -4,-0.9 -55,-0.2 -3,-0.5 -53,-0.2 0.085 66.4 23.9 -40.8 149.6 11.6 44.3 106.7 446 446 A T T 3 0 0 125 1,-0.2 -1,-0.3 -55,-0.1 -2,-0.0 0.230 360.0 360.0 73.6 -15.5 9.5 41.1 106.5 447 447 A T < 0 0 97 -3,-2.0 -1,-0.2 -55,-0.1 -56,-0.1 -0.682 360.0 360.0 -78.0 360.0 12.3 39.3 104.7 448 !* 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 0 163 0, 0.0 14,-0.0 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 -56.4 23.7 90.2 46.4 450 503 B I - 0 0 54 13,-0.2 2,-0.5 1,-0.1 17,-0.0 -0.196 360.0-171.3 -58.4 131.7 24.5 89.3 50.0 451 504 B N >> - 0 0 66 1,-0.1 4,-3.4 2,-0.0 3,-0.8 -0.976 8.9-160.9-120.8 110.6 27.9 89.9 51.4 452 505 B I T 34 S+ 0 0 65 -2,-0.5 6,-0.2 1,-0.3 -1,-0.1 0.619 89.1 64.9 -74.3 -10.0 28.2 88.3 54.8 453 506 B Q T 34 S+ 0 0 142 1,-0.1 -1,-0.3 -3,-0.0 3,-0.2 0.832 116.1 30.5 -74.1 -33.1 31.2 90.4 55.7 454 507 B E T <4 S+ 0 0 148 -3,-0.8 2,-1.9 1,-0.2 -2,-0.2 0.881 115.2 58.8 -87.0 -49.0 28.8 93.4 55.5 455 508 B D S >< S- 0 0 93 -4,-3.4 3,-2.0 1,-0.2 -1,-0.2 -0.604 76.4-174.7 -85.9 84.6 25.5 91.7 56.6 456 509 B K T 3 S+ 0 0 160 -2,-1.9 -1,-0.2 1,-0.3 -4,-0.1 0.665 71.6 53.6 -60.4 -25.6 27.0 90.6 59.8 457 510 B L T 3 S+ 0 0 173 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.529 86.6 100.4 -89.9 -2.4 24.1 88.5 61.1 458 511 B V < - 0 0 38 -3,-2.0 2,-0.1 -6,-0.2 -3,-0.0 -0.659 65.1-137.1 -93.8 131.7 23.9 86.3 58.0 459 512 B S > - 0 0 52 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.460 21.0-118.7 -79.4 155.5 25.4 82.8 58.0 460 513 B A H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 115.1 52.2 -59.3 -42.8 27.3 81.5 55.0 461 514 B H H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.943 109.2 48.3 -57.3 -49.6 24.7 78.7 54.5 462 515 B D H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 109.9 52.1 -61.6 -40.1 21.8 81.1 54.5 463 516 B A H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.906 106.4 54.8 -63.4 -37.7 23.5 83.4 52.0 464 517 B E H X S+ 0 0 117 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.906 107.3 50.2 -61.3 -40.6 24.1 80.4 49.7 465 518 B E H X S+ 0 0 19 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.872 106.2 54.6 -69.0 -35.6 20.3 79.6 49.7 466 519 B I H >X S+ 0 0 55 -4,-1.8 4,-2.2 1,-0.2 3,-0.6 0.959 106.6 53.2 -55.3 -51.0 19.3 83.2 48.9 467 520 B L H 3X S+ 0 0 104 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.869 102.9 57.9 -55.5 -37.8 21.6 83.0 45.9 468 521 B R H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.2 33.2 -66.5 -33.4 19.9 79.8 44.6 469 522 B F H << S+ 0 0 15 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.750 106.8 64.3 -94.4 -25.3 16.4 81.3 44.5 470 523 B F H < S+ 0 0 119 -4,-2.2 2,-0.3 -5,-0.2 3,-0.2 0.801 99.2 66.6 -72.6 -21.7 17.0 84.9 43.5 471 524 B N S < S+ 0 0 117 -4,-1.0 0, 0.0 -5,-0.2 0, 0.0 -0.732 102.8 8.8-100.7 146.1 18.4 83.7 40.2 472 525 B C S S- 0 0 107 -2,-0.3 2,-0.4 1,-0.2 102,-0.2 0.978 73.0-159.7 56.5 71.6 16.5 81.9 37.3 473 526 B H - 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