==== 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 1O7M . 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) . 26573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 72.5 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 . 139 21.7 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 . 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 . 58 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 24.2 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 1 2 2 2 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 . 2 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 0.000 360.0 360.0 360.0 128.5 2.1 71.7 105.8 2 2 A N >> - 0 0 86 1,-0.1 4,-2.9 2,-0.0 3,-0.9 -0.800 360.0-172.1 -79.3 99.3 4.5 70.6 108.7 3 3 A Y T 34 S+ 0 0 29 -2,-0.9 -1,-0.1 1,-0.3 5,-0.1 0.655 80.1 67.6 -73.2 -10.2 7.2 68.7 106.8 4 4 A N T 34 S+ 0 0 107 1,-0.1 -1,-0.3 -3,-0.1 421,-0.1 0.897 119.6 17.2 -69.6 -37.8 8.7 67.6 110.1 5 5 A N T <4 S+ 0 0 123 -3,-0.9 -2,-0.2 2,-0.0 2,-0.1 0.707 94.4 108.7-109.1 -30.3 5.6 65.5 110.8 6 6 A K < - 0 0 71 -4,-2.9 2,-1.4 1,-0.1 3,-0.3 -0.308 62.6-138.4 -59.3 124.8 3.7 64.9 107.6 7 7 A I + 0 0 113 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.699 40.0 156.0 -86.5 93.1 4.0 61.4 106.3 8 8 A L S S+ 0 0 2 -2,-1.4 9,-2.6 1,-0.3 2,-0.4 0.768 73.5 35.2 -83.5 -33.8 4.5 62.0 102.6 9 9 A V B S-A 16 0A 9 -3,-0.3 -1,-0.3 7,-0.2 7,-0.2 -0.989 87.9-133.4-124.4 127.9 6.2 58.6 102.2 10 10 A S > - 0 0 32 5,-2.1 3,-1.8 -2,-0.4 5,-0.2 -0.157 44.8 -64.4 -75.4 168.7 5.1 55.6 104.3 11 11 A E G > S+ 0 0 125 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 -0.268 123.7 12.9 -57.1 137.4 7.5 53.2 106.2 12 12 A S G 3 S- 0 0 5 1,-0.2 -1,-0.3 -3,-0.1 406,-0.1 0.570 121.8 -84.3 70.0 13.6 9.8 51.2 103.9 13 13 A G G < S+ 0 0 0 -3,-1.8 -1,-0.2 404,-0.2 -2,-0.2 0.790 86.3 146.5 63.5 30.4 8.9 53.6 101.0 14 14 A L < + 0 0 46 -3,-1.2 371,-2.5 -4,-0.1 2,-0.3 0.718 66.1 0.5 -71.6 -22.3 5.9 51.4 100.4 15 15 A S E - B 0 384A 20 369,-0.2 -5,-2.1 -5,-0.2 2,-0.3 -0.970 60.9-150.0-158.8 160.9 3.6 54.2 99.2 16 16 A Q E -AB 9 383A 4 367,-1.7 367,-3.1 -2,-0.3 2,-0.2 -0.992 32.3-103.6-137.3 144.9 3.7 58.0 98.6 17 17 A K E > - B 0 382A 33 -9,-2.6 3,-2.2 -2,-0.3 4,-0.2 -0.515 28.6-131.8 -67.0 134.3 1.0 60.6 98.9 18 18 A H G > S+ 0 0 20 363,-2.5 3,-2.3 360,-0.4 4,-0.3 0.815 100.5 73.6 -59.3 -31.1 -0.1 61.6 95.4 19 19 A L G >> S+ 0 0 14 360,-2.2 4,-2.8 1,-0.3 3,-1.9 0.735 75.0 80.0 -57.4 -20.7 0.2 65.3 96.3 20 20 A I G <4 S+ 0 0 2 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.812 93.5 49.6 -59.9 -24.8 4.0 65.0 96.2 21 21 A H G <4 S+ 0 0 2 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.507 125.1 25.4 -89.1 -4.4 3.7 65.3 92.3 22 22 A G T <4 S+ 0 0 1 -3,-1.9 2,-0.5 351,-0.4 -2,-0.2 0.570 84.1 108.7-129.7 -13.3 1.4 68.4 92.4 23 23 A D X - 0 0 45 -4,-2.8 4,-1.9 1,-0.2 351,-0.1 -0.578 44.4-163.6 -82.8 115.7 1.8 70.5 95.6 24 24 A E H > S+ 0 0 67 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.829 89.6 57.0 -65.6 -34.4 3.6 73.8 94.9 25 25 A E H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 109.5 46.7 -63.1 -39.9 4.4 74.5 98.6 26 26 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.899 108.0 56.7 -66.9 -38.2 6.2 71.1 98.7 27 27 A F H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 3,-0.4 0.957 107.5 47.5 -56.4 -50.2 8.0 72.1 95.4 28 28 A Q H X S+ 0 0 114 -4,-2.5 4,-1.0 1,-0.2 3,-0.3 0.895 111.3 52.0 -58.1 -39.7 9.3 75.2 97.1 29 29 A H H X S+ 0 0 33 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.818 104.4 55.7 -67.2 -31.2 10.4 73.1 100.1 30 30 A E H X>S+ 0 0 0 -4,-2.3 4,-2.4 -3,-0.4 5,-2.3 0.784 96.3 65.2 -67.3 -33.9 12.2 70.7 97.8 31 31 A L H <>S+ 0 0 28 -4,-1.4 5,-1.5 -3,-0.3 -1,-0.2 0.925 114.0 33.5 -53.7 -41.9 14.2 73.7 96.4 32 32 A K H <5S+ 0 0 132 -4,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.931 129.2 31.6 -77.9 -49.2 15.6 73.9 99.9 33 33 A T H <5S+ 0 0 3 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.655 132.8 23.1 -94.1 -14.8 15.8 70.3 101.1 34 34 A I T >X5S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 3,-0.5 0.753 129.0 32.4-109.8 -63.1 16.4 68.4 97.9 35 35 A F T 34> -C 147 0B 7 -2,-0.3 3,-2.3 103,-0.2 4,-0.9 -0.961 29.8-117.6-129.4 147.8 31.1 66.5 81.4 45 45 A D G >4 S+ 0 0 54 101,-2.2 3,-0.7 -2,-0.3 102,-0.1 0.850 113.9 65.0 -46.5 -38.0 34.8 67.1 80.9 46 46 A S G 34 S+ 0 0 32 1,-0.3 -1,-0.3 100,-0.2 138,-0.1 0.633 101.5 48.9 -66.6 -16.3 34.2 66.4 77.2 47 47 A L G <4 S+ 0 0 17 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.641 124.8 25.6 -97.4 -21.0 32.0 69.4 76.9 48 48 A I S << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 -0.439 75.6 144.1-135.9 62.6 34.4 71.9 78.6 49 49 A P + 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.775 54.1 60.7 -75.4 -28.8 37.8 70.4 78.0 50 50 A A S > S- 0 0 40 1,-0.1 3,-2.5 -3,-0.1 18,-0.3 -0.706 96.2 -86.3-105.4 153.6 40.0 73.5 77.5 51 51 A P T 3 S+ 0 0 71 0, 0.0 18,-0.2 0, 0.0 19,-0.1 -0.273 116.9 22.8 -53.0 133.4 40.8 76.5 79.7 52 52 A G T 3 S+ 0 0 7 16,-2.6 44,-2.0 1,-0.3 17,-0.1 0.135 88.2 133.3 91.2 -17.4 38.1 79.1 79.3 53 53 A D E < +E 95 0C 11 -3,-2.5 15,-2.7 42,-0.2 -1,-0.3 -0.416 31.8 172.0 -65.8 139.8 35.5 76.6 78.1 54 54 A Y E -EF 94 67C 13 40,-2.6 40,-1.8 13,-0.2 2,-0.3 -0.980 21.1-170.4-144.0 159.9 32.1 77.1 79.9 55 55 A V E -EF 93 66C 10 11,-1.9 11,-2.9 -2,-0.3 2,-0.4 -0.935 23.5-124.7-136.9 162.3 28.5 75.9 79.8 56 56 A T E + F 0 65C 8 36,-1.9 2,-0.3 -2,-0.3 9,-0.2 -0.882 33.9 174.8-102.1 149.1 25.4 77.1 81.6 57 57 A A E - F 0 64C 2 7,-2.1 7,-3.2 -2,-0.4 2,-0.3 -0.959 29.2-115.2-144.8 156.3 23.5 74.6 83.6 58 58 A K E - F 0 63C 36 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.752 17.2-171.1 -90.1 146.1 20.5 74.5 85.9 59 59 A M E > S- F 0 62C 2 3,-2.6 3,-1.9 -2,-0.3 2,-0.3 -0.895 75.7 -49.2-129.7 95.7 20.8 73.5 89.6 60 60 A G T 3 S- 0 0 2 -2,-0.4 -29,-0.0 1,-0.3 -24,-0.0 -0.585 121.2 -28.2 69.7-132.4 17.3 73.2 90.7 61 61 A I T 3 S+ 0 0 75 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.522 123.0 96.0 -92.6 -4.2 15.7 76.5 89.5 62 62 A D E < -F 59 0C 73 -3,-1.9 -3,-2.6 16,-0.0 2,-0.4 -0.485 67.5-139.3 -80.6 152.9 19.0 78.3 89.7 63 63 A E E -F 58 0C 69 -5,-0.2 16,-2.6 -2,-0.2 2,-0.3 -0.944 21.3-172.6-114.4 135.2 21.2 78.8 86.7 64 64 A V E -FG 57 78C 0 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.5 -0.882 24.2-130.8-125.0 156.4 25.0 78.5 87.0 65 65 A I E -FG 56 77C 0 12,-2.9 12,-2.4 -2,-0.3 2,-0.5 -0.924 22.0-160.1 -99.6 130.9 28.1 79.1 84.8 66 66 A V E -FG 55 76C 0 -11,-2.9 -11,-1.9 -2,-0.5 2,-0.4 -0.968 17.0-175.4-120.5 114.5 30.4 76.1 84.9 67 67 A S E -FG 54 75C 0 8,-2.9 8,-2.1 -2,-0.5 2,-0.6 -0.916 29.6-130.8-126.6 133.9 33.9 77.0 83.8 68 68 A R E - G 0 74C 27 -15,-2.7 -16,-2.6 -2,-0.4 6,-0.2 -0.697 35.0-145.0 -78.0 119.2 37.2 75.2 83.1 69 69 A Q > - 0 0 15 4,-2.8 3,-1.6 -2,-0.6 -16,-0.1 -0.350 23.2-105.6 -80.7 165.0 39.9 77.1 85.0 70 70 A N T 3 S+ 0 0 147 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.792 119.7 56.7 -58.6 -31.0 43.5 77.7 83.9 71 71 A D T 3 S- 0 0 129 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.350 122.5-103.8 -86.2 3.0 44.8 75.2 86.4 72 72 A G S < S+ 0 0 41 -3,-1.6 -2,-0.1 1,-0.3 2,-0.1 0.327 84.3 118.0 93.3 -7.3 42.5 72.4 85.0 73 73 A S - 0 0 47 -5,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.271 59.7-126.3 -82.7 171.3 39.9 72.5 87.8 74 74 A I E -G 68 0C 22 -6,-0.2 2,-0.3 67,-0.1 -6,-0.2 -0.990 24.1-177.4-121.4 133.5 36.3 73.4 87.3 75 75 A R E -G 67 0C 77 -8,-2.1 -8,-2.9 -2,-0.4 2,-0.4 -0.928 9.2-154.6-123.8 153.5 34.4 76.1 89.2 76 76 A A E -G 66 0C 0 62,-0.3 62,-2.9 -2,-0.3 2,-0.3 -0.986 10.4-175.8-132.5 142.6 30.8 77.0 89.0 77 77 A F E -GH 65 137C 3 -12,-2.4 -12,-2.9 -2,-0.4 60,-0.2 -0.966 36.7 -94.0-136.4 147.7 29.0 80.3 89.8 78 78 A L E -G 64 0C 24 58,-3.1 2,-1.9 -2,-0.3 -14,-0.3 -0.360 38.3-125.4 -57.6 136.7 25.5 81.6 89.9 79 79 A N S S+ 0 0 2 -16,-2.6 9,-0.5 56,-0.1 2,-0.4 -0.392 76.4 107.7 -85.8 61.2 24.7 83.3 86.6 80 80 A V S S- 0 0 59 -2,-1.9 56,-0.4 7,-0.2 7,-0.2 -0.990 72.0-116.9-146.2 126.1 23.8 86.5 88.3 81 81 A C > - 0 0 7 5,-3.0 4,-0.8 -2,-0.4 -2,-0.1 -0.383 15.3-138.5 -65.0 137.2 25.6 89.9 88.4 82 82 A R T 4 S+ 0 0 101 51,-0.2 -1,-0.1 2,-0.1 52,-0.1 0.590 94.3 57.3 -73.5 -10.6 26.7 91.0 91.9 83 83 A H T 4 S- 0 0 54 3,-0.1 -1,-0.1 50,-0.0 -3,-0.0 0.933 131.6 -14.7 -82.4 -86.5 25.7 94.6 91.1 84 84 A R T 4 S- 0 0 181 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.245 95.9-104.6-109.9 11.2 21.9 94.9 90.2 85 85 A G < + 0 0 41 -4,-0.8 -3,-0.1 1,-0.2 3,-0.1 0.584 59.8 157.8 87.9 14.1 21.3 91.1 89.5 86 86 A K - 0 0 72 -6,-0.1 -5,-3.0 1,-0.1 2,-0.4 -0.255 53.9 -96.7 -68.7 150.9 21.1 90.8 85.7 87 87 A T - 0 0 67 -7,-0.2 15,-0.3 1,-0.2 -7,-0.2 -0.603 35.7-156.9 -70.6 126.7 21.8 87.5 84.2 88 88 A L S S+ 0 0 12 -9,-0.5 2,-0.5 -2,-0.4 14,-0.2 0.954 70.6 39.3 -74.0 -51.2 25.4 87.5 83.2 89 89 A V - 0 0 10 1,-0.1 -1,-0.2 -10,-0.1 12,-0.0 -0.898 52.0-179.7-112.7 127.8 25.6 84.9 80.4 90 90 A S + 0 0 107 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.424 60.6 78.3-105.0 -1.4 22.9 84.4 77.8 91 91 A V S S- 0 0 16 1,-0.1 428,-0.2 426,-0.0 3,-0.1 -0.552 73.7-131.3-106.3 171.8 24.4 81.5 75.8 92 92 A E S S- 0 0 12 426,-2.9 -36,-1.9 1,-0.3 2,-0.3 0.721 83.3 -3.8 -94.5 -26.4 24.6 77.8 76.5 93 93 A A E +E 55 0C 0 425,-0.9 427,-0.5 -38,-0.3 -1,-0.3 -0.979 69.7 126.7-161.7 158.6 28.3 77.2 75.9 94 94 A G E -E 54 0C 0 -40,-1.8 -40,-2.6 -2,-0.3 2,-0.4 -0.978 48.1 -92.2 175.2-169.0 31.4 79.0 74.7 95 95 A N E +E 53 0C 19 -2,-0.3 2,-0.3 -42,-0.3 -42,-0.2 -0.995 49.6 142.8-135.2 128.3 35.0 79.9 75.5 96 96 A A - 0 0 16 -44,-2.0 3,-0.1 -2,-0.4 -2,-0.1 -0.974 50.5-135.8-161.6 156.0 36.0 83.0 77.3 97 97 A K S S- 0 0 180 -2,-0.3 13,-2.0 1,-0.1 2,-0.3 0.584 91.0 -14.5 -87.4 -15.5 38.5 84.5 79.9 98 98 A G E -I 109 0D 24 11,-0.3 2,-0.4 12,-0.1 11,-0.3 -0.956 65.2-111.5-171.0 179.7 35.7 86.4 81.7 99 99 A F E -I 108 0D 14 9,-2.9 9,-2.8 -2,-0.3 2,-0.4 -0.990 19.9-154.2-136.9 126.1 32.1 87.6 81.4 100 100 A V E -I 107 0D 99 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.843 20.5-124.3-103.6 131.7 31.0 91.2 81.1 101 101 A C > - 0 0 4 5,-2.9 4,-1.7 -2,-0.4 -13,-0.1 -0.595 9.9-147.3 -76.4 127.9 27.6 92.3 82.4 102 102 A S T 4 S+ 0 0 88 -2,-0.4 -1,-0.1 -15,-0.3 -14,-0.1 0.519 89.6 62.9 -73.2 -5.5 25.5 94.0 79.7 103 103 A Y T 4 S- 0 0 146 3,-0.1 -1,-0.1 1,-0.0 -3,-0.0 0.964 130.6 -9.2 -85.3 -68.1 23.8 96.3 82.2 104 104 A H T 4 S- 0 0 80 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.285 95.5-110.2-114.8 8.2 26.7 98.4 83.7 105 105 A G < + 0 0 24 -4,-1.7 -3,-0.1 1,-0.2 2,-0.0 0.595 51.8 166.9 82.3 10.3 29.7 96.6 82.2 106 106 A W - 0 0 12 11,-0.1 -5,-2.9 -6,-0.1 2,-0.5 -0.350 27.1-141.0 -58.4 137.4 31.1 95.0 85.3 107 107 A G E -IJ 100 116D 3 9,-3.2 8,-2.9 -7,-0.2 9,-1.7 -0.919 18.4-173.2-114.2 123.8 33.7 92.4 84.3 108 108 A F E -IJ 99 114D 1 -9,-2.8 -9,-2.9 -2,-0.5 6,-0.2 -0.847 20.1-125.2-111.3 145.4 34.1 89.0 86.0 109 109 A G E > -I 98 0D 0 4,-2.6 3,-2.1 -2,-0.4 -11,-0.3 -0.357 31.3-104.3 -80.1 167.6 36.8 86.5 85.4 110 110 A S T 3 S+ 0 0 14 -13,-2.0 -35,-0.2 1,-0.3 -43,-0.1 0.648 125.5 60.5 -60.1 -17.9 36.3 82.8 84.5 111 111 A N T 3 S- 0 0 39 -14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.234 121.0-110.6 -94.4 9.2 37.3 82.3 88.2 112 112 A G S < S+ 0 0 2 -3,-2.1 23,-2.7 1,-0.2 -2,-0.1 0.325 71.2 140.1 83.7 -5.8 34.3 84.4 89.4 113 113 A E - 0 0 112 21,-0.2 -4,-2.6 1,-0.1 2,-0.8 -0.409 60.9-118.1 -75.8 144.3 36.4 87.3 90.6 114 114 A L E +J 108 0D 10 16,-0.6 -6,-0.3 -6,-0.2 19,-0.1 -0.761 43.4 169.2 -78.1 113.7 35.2 90.9 90.0 115 115 A Q E + 0 0 107 -8,-2.9 2,-0.3 -2,-0.8 -7,-0.2 0.748 53.5 13.5-101.5 -32.8 38.1 92.1 87.8 116 116 A S E -J 107 0D 60 -9,-1.7 -9,-3.2 14,-0.1 -1,-0.3 -0.998 47.4-169.5-151.7 148.0 37.0 95.4 86.4 117 117 A V > - 0 0 9 -2,-0.3 3,-1.5 -11,-0.2 4,-0.2 -0.993 41.7-104.9-134.5 127.0 34.3 98.0 86.9 118 118 A P T 3 S- 0 0 50 0, 0.0 5,-0.1 0, 0.0 -12,-0.1 -0.353 101.1 -0.8 -58.8 136.3 33.9 100.8 84.3 119 119 A F T 3>>S+ 0 0 154 1,-0.1 4,-2.5 4,-0.1 5,-0.5 0.793 83.4 160.8 55.6 34.7 35.3 104.1 85.4 120 120 A E H <>> + 0 0 47 -3,-1.5 4,-2.1 1,-0.2 5,-1.5 0.916 68.9 46.5 -51.3 -51.0 36.2 102.6 88.8 121 121 A K H >5S+ 0 0 147 1,-0.2 4,-0.6 3,-0.2 -1,-0.2 0.936 116.9 42.6 -61.5 -48.4 38.7 105.3 89.7 122 122 A D H 45S+ 0 0 139 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.803 126.9 28.7 -68.3 -31.8 36.5 108.2 88.8 123 123 A L H <5S+ 0 0 123 -4,-2.5 -3,-0.2 2,-0.1 -2,-0.2 0.864 135.5 19.7-100.5 -46.8 33.2 106.9 90.3 124 124 A Y H >< + 0 0 98 -2,-0.6 3,-2.0 1,-0.2 4,-0.1 -0.615 18.5 172.9 -91.8 80.0 35.8 96.3 97.7 130 130 A K G > S+ 0 0 49 -2,-1.4 3,-2.1 1,-0.3 -16,-0.6 0.793 71.1 70.3 -59.6 -30.3 36.0 94.0 94.6 131 131 A K G 3 S+ 0 0 195 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.776 102.9 44.2 -60.4 -24.3 37.5 91.2 96.6 132 132 A C G < S+ 0 0 84 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.318 102.8 69.9 -99.2 7.2 34.1 90.8 98.3 133 133 A L < + 0 0 29 -3,-2.1 -51,-0.2 -4,-0.1 -1,-0.2 -0.017 63.3 131.5-119.8 26.6 32.1 91.1 95.0 134 134 A G S S- 0 0 21 -3,-0.3 -21,-0.2 1,-0.1 3,-0.1 -0.419 70.2 -81.0 -75.1 158.7 33.0 87.8 93.2 135 135 A L - 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0 0 2 -3,-2.5 4,-2.5 1,-0.2 -5,-0.3 -0.621 38.7-155.1 -73.9 115.6 12.2 60.3 70.7 357 357 A F H > S+ 0 0 0 -7,-1.7 4,-0.9 -2,-0.6 -1,-0.2 0.895 95.8 45.1 -64.9 -33.6 9.6 57.7 69.7 358 358 A W H >> S+ 0 0 7 -7,-1.2 3,-0.9 2,-0.2 4,-0.8 0.948 111.1 53.4 -69.6 -48.1 10.2 55.7 73.0 359 359 A E H >> S+ 0 0 32 -8,-2.2 3,-1.5 1,-0.2 4,-1.1 0.902 102.9 59.6 -49.8 -44.2 10.2 58.9 75.1 360 360 A S H 3X S+ 0 0 23 -4,-2.5 4,-0.6 1,-0.3 3,-0.3 0.837 96.7 60.3 -58.6 -32.6 6.8 59.9 73.6 361 361 A D H << S+ 0 0 18 -4,-0.9 4,-0.4 -3,-0.9 -1,-0.3 0.824 107.6 45.9 -61.9 -31.7 5.3 56.7 74.9 362 362 A D H S+ 0 0 70 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.952 114.3 40.6 -60.7 -49.3 2.0 58.6 81.8 366 366 A M H X S+ 0 0 20 -4,-2.3 4,-1.6 1,-0.2 -172,-0.4 0.915 117.7 47.6 -68.0 -45.0 4.3 61.2 83.4 367 367 A E H X S+ 0 0 7 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.935 115.4 41.0 -65.0 -48.1 2.1 64.2 82.7 368 368 A T H X S+ 0 0 64 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.906 113.0 53.4 -72.1 -36.7 -1.2 62.8 83.9 369 369 A A H X S+ 0 0 34 -4,-1.8 4,-0.5 -5,-0.5 -1,-0.2 0.908 114.7 43.3 -62.6 -38.3 0.2 61.1 87.0 370 370 A S H >< S+ 0 0 0 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.933 114.9 47.9 -68.6 -48.1 1.8 64.4 88.0 371 371 A Q H >X S+ 0 0 66 -4,-2.8 3,-2.0 -179,-0.3 4,-0.5 0.863 103.1 61.4 -65.8 -34.6 -1.3 66.5 87.2 372 372 A N H >< S+ 0 0 54 -4,-2.7 3,-0.7 1,-0.3 -1,-0.3 0.761 88.9 74.3 -64.2 -20.9 -3.6 64.2 89.0 373 373 A G T << S+ 0 0 1 -3,-1.0 -351,-0.4 -4,-0.5 -1,-0.3 0.647 94.3 51.1 -65.6 -17.3 -1.6 65.0 92.1 374 374 A K T <4 S+ 0 0 78 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.662 85.1 106.6 -87.3 -22.0 -3.3 68.4 92.2 375 375 A K S XX S- 0 0 114 -3,-0.7 3,-1.8 -4,-0.5 4,-1.4 -0.385 76.2-125.8 -71.1 132.6 -6.9 67.1 91.9 376 376 A Y T 34 S+ 0 0 170 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.826 105.3 45.1 -47.7 -50.3 -8.8 67.3 95.2 377 377 A Q T 34 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.618 116.4 47.6 -75.3 -11.3 -9.8 63.7 95.6 378 378 A S T X4 S+ 0 0 35 -3,-1.8 3,-1.7 -6,-0.2 -360,-0.4 0.606 84.4 87.1-103.4 -13.9 -6.4 62.4 94.7 379 379 A R T 3< S+ 0 0 120 -4,-1.4 -360,-2.2 -3,-0.4 -359,-0.2 0.892 98.8 36.5 -54.2 -45.5 -4.1 64.6 96.9 380 380 A D T 3 S+ 0 0 101 -4,-0.5 -1,-0.3 -362,-0.2 2,-0.1 0.250 95.7 113.5 -94.4 11.6 -4.3 62.3 99.9 381 381 A S < - 0 0 49 -3,-1.7 -363,-2.5 -8,-0.1 2,-0.6 -0.421 68.3-113.2 -81.4 161.7 -4.3 59.1 97.8 382 382 A D E -B 17 0A 87 -365,-0.2 2,-0.4 -2,-0.1 -365,-0.2 -0.854 13.4-151.5-107.4 121.0 -1.5 56.6 98.0 383 383 A L E -B 16 0A 40 -367,-3.1 -367,-1.7 -2,-0.6 2,-0.3 -0.738 30.6-129.4 -79.5 130.1 0.8 55.8 95.0 384 384 A L E +B 15 0A 118 -2,-0.4 -369,-0.2 -369,-0.2 -370,-0.1 -0.653 40.3 161.1 -95.4 137.1 1.9 52.2 95.5 385 385 A S + 0 0 0 -371,-2.5 -370,-0.1 -2,-0.3 29,-0.1 -0.288 40.8 115.5-141.0 50.1 5.5 50.9 95.4 386 386 A N > + 0 0 93 2,-0.1 3,-2.1 -372,-0.1 2,-0.2 0.419 31.0 127.8-102.9 0.7 5.2 47.5 97.1 387 387 A L T 3 S+ 0 0 61 1,-0.3 23,-2.0 -373,-0.1 24,-0.1 -0.419 85.6 6.5 -64.7 123.4 6.1 45.1 94.3 388 388 A G T > S+ 0 0 15 1,-0.3 3,-1.7 -2,-0.2 -1,-0.3 0.457 88.9 155.5 86.6 -1.5 8.8 42.8 95.6 389 389 A F T < + 0 0 47 -3,-2.1 -1,-0.3 1,-0.3 55,-0.1 -0.399 63.4 28.5 -64.9 137.1 8.7 44.0 99.1 390 390 A G T 3 S+ 0 0 16 53,-0.4 -1,-0.3 55,-0.2 54,-0.1 0.461 107.8 75.4 89.0 6.8 9.9 41.5 101.6 391 391 A E < + 0 0 144 -3,-1.7 14,-0.5 56,-0.1 -2,-0.2 0.265 67.5 108.5-125.0 2.2 12.2 39.8 99.1 392 392 A D - 0 0 3 -4,-0.2 2,-0.3 51,-0.2 12,-0.2 -0.485 51.6-156.4 -80.1 151.2 15.0 42.5 99.1 393 393 A V E -S 403 0E 50 10,-2.4 10,-3.1 -2,-0.1 2,-0.3 -0.868 7.4-151.5-123.4 164.7 18.4 41.7 100.7 394 394 A Y E S+S 402 0E 97 -2,-0.3 8,-0.2 8,-0.2 5,-0.0 -0.975 75.6 20.6-130.7 142.8 21.2 43.8 102.1 395 395 A G S S- 0 0 55 6,-0.6 7,-0.1 -2,-0.3 -1,-0.1 0.714 74.4-179.4 74.1 28.3 24.9 42.8 102.2 396 396 A D - 0 0 44 3,-0.5 -1,-0.2 5,-0.4 5,-0.1 -0.141 35.4-121.8 -58.6 147.8 24.9 40.2 99.5 397 397 A A S S+ 0 0 103 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.755 105.1 18.6 -66.3 -21.7 28.3 38.5 98.8 398 398 A V S S+ 0 0 68 1,-0.3 -1,-0.1 -111,-0.0 -2,-0.0 0.799 123.0 46.1-116.5 -40.5 28.3 39.5 95.2 399 399 A Y S S- 0 0 42 2,-0.1 -3,-0.5 4,-0.0 -1,-0.3 -0.930 75.2-147.1-117.4 113.3 25.9 42.4 94.6 400 400 A P + 0 0 27 0, 0.0 2,-0.2 0, 0.0 -231,-0.1 -0.300 52.4 36.3 -84.8 162.3 26.0 45.3 97.0 401 401 A G S S- 0 0 1 -159,-0.1 2,-0.7 -5,-0.1 -6,-0.6 -0.523 109.5 -37.1 99.9-172.1 23.2 47.6 98.3 402 402 A V E S-NS 243 394E 1 -159,-2.3 -159,-1.8 -2,-0.2 2,-0.4 -0.874 80.0-168.5 -86.2 121.9 19.6 46.8 99.0 403 403 A V E -NS 242 393E 0 -10,-3.1 -10,-2.4 -2,-0.7 2,-0.6 -0.937 31.0-161.9-127.2 135.6 19.0 44.4 96.2 404 404 A G E -N 241 0E 2 -163,-2.6 -163,-2.4 -2,-0.4 2,-2.0 -0.971 21.1-145.4-108.3 115.7 16.0 42.7 94.6 405 405 A K S S+ 0 0 120 -2,-0.6 2,-0.3 -14,-0.5 -165,-0.2 -0.300 70.8 82.5 -84.0 58.5 17.2 39.7 92.7 406 406 A S S S- 0 0 50 -2,-2.0 -2,-0.1 -169,-0.1 -169,-0.1 -0.971 78.6-126.2-153.3 148.9 14.6 40.0 89.9 407 407 A A S S+ 0 0 10 -171,-0.4 2,-0.5 -2,-0.3 -167,-0.2 0.812 95.0 49.4 -67.0 -35.0 14.4 42.1 86.8 408 408 A I S S+ 0 0 42 -169,-0.1 2,-0.3 -202,-0.1 -1,-0.2 -0.931 77.4 95.2-116.4 120.4 11.0 43.6 87.5 409 409 A G - 0 0 2 -2,-0.5 -203,-0.4 -205,-0.3 -202,-0.3 -0.963 69.7-102.1-174.1-170.0 10.1 45.2 90.8 410 410 A E S > S+ 0 0 27 -23,-2.0 4,-1.9 -2,-0.3 3,-0.3 0.143 73.4 116.9-121.3 18.7 9.8 48.4 92.9 411 411 A T H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.883 78.8 48.9 -48.6 -48.1 12.9 48.1 95.1 412 412 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.793 106.0 55.9 -73.6 -27.9 14.4 51.2 93.6 413 413 A Y H > S+ 0 0 15 -3,-0.3 4,-3.0 -209,-0.3 -1,-0.2 0.916 106.8 51.8 -61.4 -46.0 11.3 53.2 94.1 414 414 A R H X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.911 112.4 44.0 -61.9 -41.7 11.3 52.4 97.8 415 415 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.877 112.5 52.4 -70.4 -39.0 14.9 53.4 98.3 416 416 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.957 116.3 40.1 -59.4 -51.7 14.5 56.6 96.2 417 417 A Y H X S+ 0 0 0 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.604 107.6 61.7 -77.8 -7.3 11.5 57.6 98.3 418 418 A R H X S+ 0 0 8 -4,-0.8 4,-1.5 -5,-0.2 -1,-0.2 0.884 112.0 39.8 -76.5 -37.9 13.1 56.5 101.6 419 419 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.869 111.8 56.7 -72.3 -41.3 15.8 59.1 101.0 420 420 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.927 109.0 45.9 -59.5 -48.0 13.4 61.7 99.7 421 421 A Q H X S+ 0 0 28 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.897 110.9 53.6 -60.4 -47.4 11.2 61.5 103.0 422 422 A A H < S+ 0 0 6 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.8 42.3 -56.3 -40.4 14.4 61.7 105.1 423 423 A H H >< S+ 0 0 0 -4,-2.2 3,-1.7 2,-0.2 -2,-0.2 0.942 111.5 52.3 -70.8 -51.7 15.5 64.9 103.2 424 424 A V H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.842 115.5 43.2 -58.1 -28.2 12.1 66.6 103.1 425 425 A S T 3< S+ 0 0 31 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.388 104.0 81.4-100.7 6.6 11.7 66.1 106.9 426 426 A S < - 0 0 7 -3,-1.7 3,-0.1 -5,-0.1 -423,-0.0 -0.852 60.9-154.7-115.7 145.6 15.4 67.1 107.8 427 427 A S S S- 0 0 81 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.574 77.6 -1.5 -93.6 -10.6 16.9 70.6 108.1 428 428 A N S > S- 0 0 52 1,-0.1 4,-2.1 -5,-0.0 3,-0.4 -0.980 83.6 -83.4-165.1 174.7 20.4 69.6 107.3 429 429 A W H > S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.854 120.9 57.1 -59.2 -34.9 22.7 66.7 106.4 430 430 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 108.0 47.1 -64.9 -40.7 23.2 65.7 110.0 431 431 A E H > S+ 0 0 81 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.888 109.4 54.2 -65.7 -41.5 19.5 65.2 110.5 432 432 A F H < S+ 0 0 0 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.931 109.7 48.1 -57.4 -43.6 19.4 63.3 107.2 433 433 A E H >< S+ 0 0 58 -4,-2.5 3,-1.5 1,-0.2 4,-0.4 0.938 110.4 50.8 -64.4 -44.0 22.1 61.0 108.5 434 434 A H H >< S+ 0 0 161 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.902 111.2 49.4 -59.5 -38.8 20.2 60.6 111.8 435 435 A A T 3< S+ 0 0 45 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.511 114.2 46.8 -77.6 -5.6 17.1 59.7 109.9 436 436 A S T X S+ 0 0 1 -3,-1.5 3,-1.7 -4,-0.4 4,-0.2 0.259 71.5 109.2-122.3 10.7 19.0 57.2 107.8 437 437 A S T < S+ 0 0 94 -3,-0.8 -1,-0.1 -4,-0.4 -2,-0.1 0.652 94.0 32.4 -67.1 -17.2 21.0 55.2 110.3 438 438 A T T 3> S+ 0 0 80 -4,-0.1 4,-2.3 -3,-0.1 -1,-0.3 -0.078 80.9 133.3-125.2 36.0 18.8 52.1 109.8 439 439 A W H <> S+ 0 0 17 -3,-1.7 4,-1.9 1,-0.2 5,-0.2 0.874 73.4 42.8 -59.6 -45.0 18.0 52.7 106.0 440 440 A H H > S+ 0 0 55 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 111.8 53.5 -74.0 -36.1 18.7 49.2 104.8 441 441 A T H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.910 109.1 51.1 -59.8 -40.6 16.9 47.5 107.7 442 442 A E H >< S+ 0 0 42 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.901 111.6 47.1 -63.6 -42.6 13.9 49.7 106.8 443 443 A L H 3< S+ 0 0 1 -4,-1.9 -53,-0.4 1,-0.2 -51,-0.2 0.751 113.8 46.3 -70.2 -28.7 14.0 48.7 103.2 444 444 A T H >< S+ 0 0 27 -4,-1.8 3,-2.1 -5,-0.2 -1,-0.2 0.434 79.3 140.4 -99.5 4.4 14.4 44.9 103.8 445 445 A K T << + 0 0 67 -4,-0.6 -55,-0.2 -3,-0.6 -53,-0.2 0.026 68.3 24.5 -44.0 153.3 11.6 44.6 106.5 446 446 A T T 3 0 0 125 1,-0.2 -1,-0.3 -55,-0.1 -2,-0.1 0.221 360.0 360.0 68.1 -13.5 9.5 41.4 106.3 447 447 A T < 0 0 93 -3,-2.1 -1,-0.2 -55,-0.0 -56,-0.1 -0.667 360.0 360.0 -81.3 360.0 12.4 39.6 104.5 448 !* 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 0 164 0, 0.0 14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.6 23.8 90.7 46.2 450 503 B I - 0 0 54 13,-0.1 2,-0.6 1,-0.1 17,-0.1 -0.175 360.0-170.3 -36.3 121.5 24.5 89.8 49.9 451 504 B N >> - 0 0 67 1,-0.1 4,-3.2 2,-0.0 3,-1.0 -0.974 8.9-159.8-116.1 108.7 28.0 90.4 51.1 452 505 B I T 34 S+ 0 0 67 -2,-0.6 6,-0.2 1,-0.3 -1,-0.1 0.626 88.7 66.7 -72.0 -10.2 28.3 88.7 54.6 453 506 B Q T 34 S+ 0 0 142 1,-0.1 -1,-0.3 -3,-0.0 3,-0.2 0.848 115.7 28.9 -72.8 -34.9 31.2 90.9 55.5 454 507 B E T <4 S+ 0 0 151 -3,-1.0 2,-1.9 1,-0.2 -2,-0.2 0.869 115.1 60.6 -87.9 -46.2 28.8 93.9 55.4 455 508 B D S >< S- 0 0 91 -4,-3.2 3,-1.9 1,-0.2 -1,-0.2 -0.589 75.4-176.5 -85.8 80.2 25.6 92.0 56.4 456 509 B K T 3 S+ 0 0 162 -2,-1.9 -1,-0.2 1,-0.3 -4,-0.1 0.631 70.6 53.1 -57.9 -24.2 27.1 90.9 59.7 457 510 B L T 3 S+ 0 0 173 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.450 86.7 101.1 -94.2 -1.5 24.2 88.8 61.0 458 511 B V < - 0 0 40 -3,-1.9 2,-0.2 -6,-0.2 -3,-0.0 -0.705 65.1-138.0 -94.1 130.5 23.9 86.6 57.9 459 512 B S > - 0 0 52 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.507 20.3-120.1 -81.4 153.9 25.4 83.1 57.8 460 513 B A H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.898 114.7 53.7 -59.0 -39.1 27.3 81.8 54.8 461 514 B H H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.940 108.9 47.3 -61.8 -47.2 24.8 79.0 54.4 462 515 B D H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 110.1 52.8 -61.0 -41.5 21.9 81.4 54.4 463 516 B A H X S+ 0 0 19 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.873 105.3 55.6 -63.4 -37.0 23.5 83.7 51.8 464 517 B E H X S+ 0 0 118 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.893 107.7 49.0 -63.0 -37.5 24.1 80.7 49.5 465 518 B E H X S+ 0 0 20 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.864 105.1 56.4 -72.7 -36.3 20.4 79.9 49.6 466 519 B I H >X S+ 0 0 57 -4,-1.9 4,-2.1 1,-0.2 3,-1.2 0.977 106.1 53.4 -52.2 -54.4 19.3 83.5 48.8 467 520 B L H 3X S+ 0 0 104 -4,-1.9 4,-1.2 1,-0.3 -1,-0.2 0.842 101.6 58.2 -52.2 -40.1 21.5 83.3 45.7 468 521 B R H 3< S+ 0 0 78 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.849 115.1 34.1 -66.5 -28.3 19.9 80.2 44.4 469 522 B F H << S+ 0 0 16 -3,-1.2 -2,-0.2 -4,-1.1 -1,-0.2 0.768 107.9 62.7 -97.9 -27.5 16.3 81.7 44.3 470 523 B F H < S+ 0 0 121 -4,-2.1 2,-0.3 -5,-0.2 3,-0.2 0.808 100.5 65.9 -69.9 -26.9 17.0 85.3 43.3 471 524 B N S < S+ 0 0 113 -4,-1.2 0, 0.0 -5,-0.3 0, 0.0 -0.697 104.8 3.0 -97.3 148.8 18.5 84.1 40.0 472 525 B C S S- 0 0 107 -2,-0.3 2,-0.4 1,-0.1 102,-0.2 0.930 72.2-158.9 44.0 91.4 16.6 82.4 37.2 473 526 B H - 0 0 127 -3,-0.2 2,-0.5 100,-0.1 -1,-0.1 -0.841 12.5-169.2-102.8 136.0 13.0 82.2 38.1 474 527 B D >> - 0 0 76 -2,-0.4 4,-1.7 98,-0.4 3,-0.5 -0.935 5.7-164.5-125.1 100.9 10.6 79.7 36.6 475 528 B S H 3> S+ 0 0 72 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.840 88.9 55.5 -55.8 -36.8 7.0 80.5 37.5 476 529 B A H 3> S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 105.7 52.1 -65.7 -38.2 5.7 77.0 36.4 477 530 B L H <> S+ 0 0 12 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.853 106.0 54.2 -66.1 -36.8 8.2 75.3 38.7 478 531 B Q H X S+ 0 0 48 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.919 109.9 47.4 -64.1 -40.8 7.0 77.4 41.6 479 532 B Q H X S+ 0 0 115 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.926 111.0 50.7 -66.5 -43.1 3.4 76.3 40.9 480 533 B E H X S+ 0 0 50 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 111.0 49.4 -59.3 -42.1 4.5 72.6 40.6 481 534 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.897 108.4 53.3 -67.9 -36.3 6.4 72.9 44.0 482 535 B T H X S+ 0 0 44 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.932 110.3 47.3 -62.9 -44.2 3.3 74.5 45.6 483 536 B T H X S+ 0 0 72 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.939 111.0 51.4 -60.9 -47.5 1.2 71.5 44.4 484 537 B L H X S+ 0 0 27 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.902 114.9 41.9 -55.6 -48.4 3.7 69.0 45.6 485 538 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.824 112.6 52.2 -73.9 -33.8 3.9 70.5 49.1 486 539 B T H X S+ 0 0 78 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.915 112.3 46.6 -67.9 -38.4 0.2 71.2 49.5 487 540 B Q H X S+ 0 0 95 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.906 111.4 51.6 -70.2 -40.2 -0.5 67.6 48.6 488 541 B E H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.928 110.8 48.5 -56.7 -48.1 2.2 66.4 51.0 489 542 B A H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.874 109.2 53.2 -64.5 -33.2 0.7 68.4 53.8 490 543 B H H X S+ 0 0 122 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.954 108.3 49.2 -67.4 -46.3 -2.7 67.1 53.1 491 544 B L H <>S+ 0 0 37 -4,-2.3 5,-2.7 1,-0.2 -2,-0.2 0.925 114.9 45.2 -60.2 -44.1 -1.6 63.5 53.3 492 545 B L H ><5S+ 0 0 1 -4,-2.2 3,-2.0 3,-0.2 -1,-0.2 0.924 108.4 56.9 -64.1 -43.9 0.2 64.2 56.6 493 546 B D H 3<5S+ 0 0 33 -4,-2.8 70,-0.7 1,-0.3 -1,-0.2 0.840 109.2 45.0 -61.7 -33.3 -2.8 66.2 58.0 494 547 B I T 3<5S- 0 0 96 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.350 116.7-116.5 -92.3 7.8 -5.1 63.2 57.5 495 548 B Q T < 5 + 0 0 35 -3,-2.0 2,-1.4 1,-0.2 3,-0.3 0.812 62.1 151.9 62.2 36.5 -2.4 60.9 59.0 496 549 B A >< + 0 0 26 -5,-2.7 4,-2.4 1,-0.2 -1,-0.2 -0.526 11.1 159.3 -90.6 63.8 -2.0 58.9 55.8 497 550 B Y H > + 0 0 9 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.849 67.9 50.5 -63.1 -35.5 1.6 58.2 56.8 498 551 B R H > S+ 0 0 89 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.932 111.7 49.0 -69.1 -41.7 2.0 55.1 54.5 499 552 B A H > S+ 0 0 35 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.873 108.7 54.4 -61.3 -39.2 0.7 57.2 51.5 500 553 B W H X>S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.8 0.953 110.8 44.5 -59.5 -48.6 3.1 59.9 52.4 501 554 B L H X5S+ 0 0 6 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.937 118.2 44.5 -61.7 -42.5 6.0 57.5 52.3 502 555 B E H <5S+ 0 0 131 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 126.3 27.0 -73.0 -36.7 4.8 55.9 49.1 503 556 B H H <5S+ 0 0 93 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.677 131.8 26.4-100.8 -22.0 3.9 59.0 47.2 504 557 B C H <5S+ 0 0 5 -4,-2.6 116,-3.2 -5,-0.4 2,-0.5 0.567 100.6 75.2-121.3 -15.4 6.1 61.8 48.6 505 558 B V E << -t 620 0F 2 -4,-1.0 116,-0.2 -5,-0.8 -1,-0.1 -0.922 65.8-138.8-116.3 124.8 9.3 60.3 50.1 506 559 B G E > - 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