==== 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 05-NOV-02 1O7H . 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) . 26278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.9 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 . 64 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 1 1 3 1 2 1 0 2 0 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 2 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 92 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.8 2.0 70.9 104.9 2 2 A N >> - 0 0 83 1,-0.1 4,-3.2 2,-0.0 3,-0.7 -0.760 360.0-175.7 -89.4 98.1 4.4 69.6 107.7 3 3 A Y T 34 S+ 0 0 28 -2,-0.9 -1,-0.1 1,-0.2 5,-0.1 0.642 78.9 65.5 -73.6 -11.4 7.1 67.6 106.0 4 4 A N T 34 S+ 0 0 106 1,-0.1 -1,-0.2 3,-0.1 421,-0.1 0.892 121.3 18.7 -71.1 -39.0 8.7 66.5 109.3 5 5 A N T <4 S+ 0 0 121 -3,-0.7 -2,-0.2 2,-0.0 -1,-0.1 0.796 95.5 108.0-101.8 -35.8 5.5 64.5 110.0 6 6 A K < - 0 0 68 -4,-3.2 2,-1.4 1,-0.1 3,-0.3 -0.213 62.1-141.5 -53.7 120.4 3.7 63.9 106.7 7 7 A I + 0 0 115 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.713 38.1 156.9 -84.0 95.5 4.0 60.4 105.5 8 8 A L S S+ 0 0 2 -2,-1.4 9,-2.3 1,-0.3 2,-0.5 0.762 72.5 37.2 -86.2 -34.5 4.5 61.0 101.8 9 9 A V B S-A 16 0A 9 -3,-0.3 -1,-0.3 7,-0.2 7,-0.2 -0.985 88.7-131.4-121.1 125.4 6.1 57.7 101.4 10 10 A S > - 0 0 32 5,-2.8 3,-2.1 -2,-0.5 411,-0.1 -0.118 46.0 -65.8 -69.6 169.5 4.9 54.6 103.4 11 11 A E G > S+ 0 0 129 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 -0.307 124.5 13.4 -59.0 135.7 7.3 52.3 105.4 12 12 A S G 3 S- 0 0 5 1,-0.3 -1,-0.3 -3,-0.1 406,-0.1 0.597 122.0 -84.8 74.4 9.3 9.6 50.3 103.1 13 13 A G G < S+ 0 0 0 -3,-2.1 -1,-0.3 404,-0.1 -2,-0.2 0.732 86.4 144.7 68.7 20.2 8.7 52.6 100.2 14 14 A L < + 0 0 49 -3,-1.2 371,-3.1 1,-0.1 2,-0.3 0.770 67.0 5.9 -63.4 -30.6 5.7 50.5 99.5 15 15 A S E - B 0 384A 21 369,-0.2 -5,-2.8 370,-0.1 2,-0.3 -0.992 59.2-153.3-153.2 155.1 3.5 53.4 98.5 16 16 A Q E -AB 9 383A 3 367,-1.8 367,-3.2 -2,-0.3 2,-0.3 -0.953 33.7-104.6-128.8 148.7 3.6 57.2 97.8 17 17 A K E > - B 0 382A 37 -9,-2.3 3,-2.3 -2,-0.3 4,-0.3 -0.572 28.4-132.3 -72.0 132.8 0.9 59.8 98.1 18 18 A H G > S+ 0 0 23 363,-2.7 3,-1.9 360,-0.4 4,-0.2 0.832 100.3 74.3 -56.7 -27.6 -0.2 60.6 94.5 19 19 A L G >> S+ 0 0 12 360,-2.1 4,-2.7 362,-0.3 3,-2.5 0.763 74.0 80.6 -59.0 -22.1 0.0 64.3 95.4 20 20 A I G <4 S+ 0 0 1 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.800 93.0 49.8 -59.5 -23.7 3.8 64.1 95.3 21 21 A H G <4 S+ 0 0 3 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.471 123.8 27.3 -87.7 -5.3 3.6 64.4 91.6 22 22 A G T <4 S+ 0 0 2 -3,-2.5 2,-0.6 351,-0.4 -2,-0.2 0.559 85.3 111.6-129.2 -14.4 1.3 67.5 91.6 23 23 A D X - 0 0 42 -4,-2.7 4,-2.5 1,-0.2 5,-0.1 -0.492 42.4-167.6 -77.4 114.7 1.8 69.4 94.8 24 24 A E H > S+ 0 0 66 -2,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.872 88.5 53.3 -69.2 -36.9 3.5 72.8 94.1 25 25 A E H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 111.8 47.1 -62.2 -42.6 4.3 73.5 97.7 26 26 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.928 108.3 55.4 -65.5 -42.0 6.0 70.2 97.9 27 27 A F H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.933 108.9 47.8 -53.1 -48.0 7.8 71.0 94.6 28 28 A Q H X S+ 0 0 113 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.887 111.2 50.9 -59.0 -39.9 9.1 74.2 96.3 29 29 A H H X S+ 0 0 31 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.811 105.9 56.0 -68.9 -32.8 10.1 72.1 99.3 30 30 A E H X>S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-1.9 0.845 96.1 64.7 -67.2 -34.8 12.0 69.7 96.9 31 31 A L H <>S+ 0 0 29 -4,-1.5 5,-1.7 -5,-0.2 -1,-0.2 0.922 114.2 32.5 -53.3 -43.6 14.0 72.6 95.6 32 32 A K H <5S+ 0 0 134 -4,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.959 129.5 33.0 -75.5 -53.6 15.5 72.9 99.0 33 33 A T H <5S+ 0 0 1 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.641 131.9 23.7 -89.7 -16.0 15.6 69.3 100.3 34 34 A I T >X5S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 3,-0.5 0.769 129.2 29.9-107.6 -65.7 16.2 67.4 97.1 35 35 A F T 34> -C 147 0B 7 -2,-0.3 3,-2.4 103,-0.2 4,-1.2 -0.949 29.0-117.4-128.9 149.6 30.8 65.5 80.7 45 45 A D G >4 S+ 0 0 50 101,-2.1 3,-0.8 -2,-0.3 -1,-0.1 0.884 115.6 61.8 -46.6 -45.8 34.5 66.0 80.2 46 46 A S G 34 S+ 0 0 30 1,-0.3 -1,-0.3 134,-0.2 138,-0.1 0.684 101.9 52.8 -58.5 -19.2 34.0 65.3 76.5 47 47 A L G <4 S+ 0 0 12 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.766 124.8 22.9 -87.3 -27.4 31.7 68.4 76.4 48 48 A I S << S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 -0.466 76.5 144.4-134.2 64.0 34.2 70.8 77.9 49 49 A P + 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.813 55.8 62.1 -74.3 -31.8 37.6 69.2 77.3 50 50 A A S > S- 0 0 39 -3,-0.1 3,-2.7 1,-0.1 18,-0.3 -0.716 96.8 -89.1-103.0 148.5 39.7 72.3 76.7 51 51 A P T 3 S+ 0 0 71 0, 0.0 18,-0.2 0, 0.0 19,-0.1 -0.207 115.9 23.5 -49.0 134.8 40.5 75.2 79.1 52 52 A G T 3 S+ 0 0 4 16,-3.1 44,-2.3 1,-0.4 2,-0.1 0.198 89.2 132.7 91.6 -17.6 37.8 77.9 78.7 53 53 A D E < +E 95 0C 9 -3,-2.7 15,-2.9 42,-0.3 -1,-0.4 -0.472 31.0 168.3 -64.4 139.0 35.2 75.4 77.4 54 54 A Y E -EF 94 67C 13 40,-2.2 40,-2.1 13,-0.2 2,-0.3 -0.989 23.1-169.3-149.8 157.0 31.9 75.8 79.2 55 55 A V E -EF 93 66C 4 11,-1.6 11,-2.8 -2,-0.3 2,-0.3 -0.870 25.8-122.7-132.6 164.0 28.3 74.7 78.9 56 56 A T E + F 0 65C 7 36,-1.8 2,-0.3 -2,-0.3 9,-0.2 -0.821 34.6 177.2 -99.2 155.3 25.3 76.0 80.8 57 57 A A E - F 0 64C 1 7,-2.1 7,-2.9 -2,-0.3 2,-0.3 -0.968 27.8-114.9-147.8 161.1 23.3 73.4 82.8 58 58 A K E - F 0 63C 30 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.787 18.0-171.8 -94.4 147.0 20.3 73.4 85.1 59 59 A M E > S- F 0 62C 1 3,-2.4 3,-2.0 -2,-0.3 2,-0.2 -0.911 75.9 -45.5-129.3 100.7 20.6 72.4 88.8 60 60 A G T 3 S- 0 0 1 -2,-0.4 -29,-0.0 1,-0.3 -30,-0.0 -0.601 122.2 -31.6 69.0-135.1 17.1 72.2 90.0 61 61 A I T 3 S+ 0 0 75 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.440 121.6 101.5 -93.6 -0.4 15.5 75.4 88.6 62 62 A D E < -F 59 0C 73 -3,-2.0 -3,-2.4 16,-0.0 2,-0.4 -0.502 66.1-138.2 -82.9 150.6 18.8 77.2 88.8 63 63 A E E -F 58 0C 69 -5,-0.2 16,-2.6 -2,-0.2 2,-0.3 -0.918 23.3-175.0-107.8 140.2 21.0 77.8 85.9 64 64 A V E -FG 57 78C 0 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.5 -0.947 24.8-131.1-132.5 154.3 24.8 77.4 86.2 65 65 A I E -FG 56 77C 0 12,-3.5 12,-2.3 -2,-0.3 2,-0.6 -0.883 20.4-160.3-100.3 130.4 27.9 77.9 84.0 66 66 A V E -FG 55 76C 0 -11,-2.8 -11,-1.6 -2,-0.5 2,-0.4 -0.958 18.2-177.7-116.6 114.3 30.2 74.9 84.1 67 67 A S E -FG 54 75C 0 8,-2.7 8,-2.0 -2,-0.6 2,-0.7 -0.914 30.8-127.4-128.0 135.9 33.7 75.9 83.0 68 68 A R E - G 0 74C 27 -15,-2.9 -16,-3.1 -2,-0.4 6,-0.2 -0.692 34.6-142.9 -77.7 114.8 37.0 74.1 82.4 69 69 A Q > - 0 0 18 4,-3.0 3,-1.7 -2,-0.7 -16,-0.1 -0.232 22.8-107.4 -74.3 165.2 39.7 76.0 84.4 70 70 A N T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.823 119.4 57.7 -63.1 -31.3 43.2 76.5 83.2 71 71 A D T 3 S- 0 0 130 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.309 123.5-103.2 -82.9 7.3 44.5 73.9 85.7 72 72 A G S < S+ 0 0 41 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.416 84.9 120.7 86.1 -4.7 42.2 71.3 84.2 73 73 A S - 0 0 46 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.329 58.4-127.8 -81.1 174.3 39.6 71.4 86.9 74 74 A I E -G 68 0C 22 -6,-0.2 2,-0.3 67,-0.2 -6,-0.2 -0.994 22.9-177.3-125.5 128.7 36.0 72.3 86.5 75 75 A R E -G 67 0C 78 -8,-2.0 -8,-2.7 -2,-0.4 2,-0.4 -0.920 10.4-152.9-119.8 151.0 34.2 74.9 88.5 76 76 A A E -G 66 0C 0 62,-0.4 62,-2.7 -2,-0.3 2,-0.3 -0.972 12.9-177.6-126.3 144.3 30.5 75.8 88.3 77 77 A F E -GH 65 137C 2 -12,-2.3 -12,-3.5 -2,-0.4 60,-0.2 -0.978 37.2 -91.7-139.7 151.4 28.7 79.1 89.0 78 78 A L E -G 64 0C 24 58,-2.8 2,-2.0 -2,-0.3 -14,-0.3 -0.341 38.0-127.3 -56.2 132.6 25.3 80.5 89.1 79 79 A N S S+ 0 0 2 -16,-2.6 9,-0.7 56,-0.1 2,-0.4 -0.380 75.4 111.1 -81.0 57.1 24.6 82.1 85.7 80 80 A V B S-J 87 0D 56 -2,-2.0 56,-0.3 7,-0.3 7,-0.2 -0.972 71.9-119.1-141.1 121.0 23.6 85.3 87.4 81 81 A C > - 0 0 5 5,-3.2 4,-1.3 -2,-0.4 53,-0.1 -0.357 18.9-138.5 -56.4 133.6 25.4 88.7 87.5 82 82 A R T 4 S+ 0 0 107 51,-0.2 -1,-0.1 2,-0.1 52,-0.1 0.550 93.7 60.5 -70.0 -11.2 26.5 89.7 91.0 83 83 A H T 4 S- 0 0 57 3,-0.1 -1,-0.1 50,-0.1 -3,-0.0 0.895 131.8 -16.3 -80.3 -90.6 25.4 93.3 90.4 84 84 A R T 4 S- 0 0 186 2,-0.0 -2,-0.1 0, 0.0 -3,-0.1 0.025 94.9-104.9-109.0 27.9 21.7 93.4 89.5 85 85 A G < + 0 0 43 -4,-1.3 -3,-0.1 1,-0.2 2,-0.1 0.611 58.4 158.4 70.6 18.9 21.1 89.7 88.7 86 86 A K - 0 0 69 1,-0.1 -5,-3.2 -6,-0.1 2,-0.5 -0.395 56.0 -94.1 -68.4 147.6 20.8 89.6 85.0 87 87 A T B -J 80 0D 70 -7,-0.2 15,-0.3 1,-0.2 -7,-0.3 -0.549 38.3-154.4 -66.7 120.7 21.5 86.1 83.4 88 88 A L S S+ 0 0 11 -9,-0.7 2,-0.5 -2,-0.5 14,-0.2 0.956 70.9 37.7 -67.0 -54.2 25.2 86.2 82.5 89 89 A V - 0 0 10 1,-0.1 -1,-0.1 -10,-0.1 12,-0.0 -0.863 53.8-176.5-109.0 129.4 25.5 83.7 79.7 90 90 A S + 0 0 106 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.448 61.5 73.9-102.4 2.5 22.8 83.3 77.0 91 91 A V S S- 0 0 19 1,-0.1 428,-0.2 426,-0.0 3,-0.1 -0.597 75.0-129.4-110.0 174.9 24.2 80.4 75.0 92 92 A E S S- 0 0 12 426,-2.7 -36,-1.8 1,-0.3 2,-0.3 0.679 82.9 -1.9 -98.3 -20.2 24.4 76.7 75.8 93 93 A A E +Ei 55 519C 0 425,-1.1 427,-0.5 -38,-0.3 -1,-0.3 -0.985 68.7 120.2-163.4 156.3 28.1 76.1 75.1 94 94 A G E -E 54 0C 0 -40,-2.1 -40,-2.2 -2,-0.3 2,-0.4 -0.977 50.1 -87.0 175.7-159.5 31.3 77.8 73.9 95 95 A N E +E 53 0C 15 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.3 -0.991 50.6 138.3-139.1 130.8 34.8 78.7 74.8 96 96 A A - 0 0 17 -44,-2.3 3,-0.1 -2,-0.4 -2,-0.1 -0.979 53.0-130.0-166.1 157.8 35.9 81.8 76.6 97 97 A K S S- 0 0 144 -2,-0.3 13,-1.5 1,-0.2 14,-0.3 0.403 91.0 -13.5 -92.9 1.4 38.2 83.1 79.3 98 98 A G E -K 109 0E 24 11,-0.3 2,-0.4 12,-0.1 11,-0.3 -0.970 63.5-108.6 178.7 177.4 35.3 85.0 81.0 99 99 A F E -K 108 0E 10 9,-2.7 9,-3.2 -2,-0.3 2,-0.4 -0.989 20.5-155.1-131.5 128.9 31.8 86.3 80.8 100 100 A V E -K 107 0E 97 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.882 20.4-125.3-106.3 132.1 30.7 89.9 80.5 101 101 A C > - 0 0 2 5,-3.2 4,-1.7 -2,-0.4 -13,-0.1 -0.603 10.5-150.1 -76.8 128.3 27.2 91.0 81.7 102 102 A S T 4 S+ 0 0 95 -2,-0.4 -1,-0.1 -15,-0.3 -14,-0.1 0.620 88.2 64.4 -76.8 -10.1 25.3 92.8 78.9 103 103 A Y T 4 S- 0 0 154 1,-0.1 -1,-0.1 3,-0.1 -3,-0.0 0.991 130.4 -9.2 -75.3 -68.4 23.4 95.0 81.4 104 104 A H T 4 S- 0 0 76 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.270 96.3-108.1-118.5 11.0 26.3 97.1 82.9 105 105 A G < + 0 0 23 -4,-1.7 -3,-0.1 1,-0.2 11,-0.0 0.547 52.1 166.3 85.3 5.5 29.4 95.4 81.5 106 106 A W - 0 0 12 11,-0.1 -5,-3.2 -6,-0.1 2,-0.6 -0.301 27.6-141.9 -57.9 137.4 30.8 93.6 84.6 107 107 A G E -KL 100 116E 3 9,-3.3 8,-2.8 -7,-0.2 9,-1.6 -0.924 17.4-171.9-111.5 117.7 33.4 91.1 83.5 108 108 A F E -KL 99 114E 2 -9,-3.2 -9,-2.7 -2,-0.6 6,-0.2 -0.818 19.7-125.9-104.3 147.5 33.7 87.8 85.3 109 109 A G E > -K 98 0E 0 4,-2.5 3,-2.2 -2,-0.3 -11,-0.3 -0.355 29.7-106.4 -81.3 167.6 36.4 85.2 84.8 110 110 A S T 3 S+ 0 0 12 -13,-1.5 -35,-0.2 1,-0.3 -43,-0.2 0.611 126.5 61.1 -64.5 -12.7 35.9 81.6 83.9 111 111 A N T 3 S- 0 0 39 -14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.222 121.0-113.3 -95.8 9.3 36.9 81.2 87.5 112 112 A G < + 0 0 2 -3,-2.2 23,-2.8 1,-0.2 -2,-0.1 0.310 69.4 140.6 81.8 -9.9 33.9 83.2 88.6 113 113 A E - 0 0 96 21,-0.2 -4,-2.5 1,-0.1 2,-0.9 -0.382 62.7-113.7 -72.3 142.2 36.0 86.2 89.8 114 114 A L E +L 108 0E 10 16,-0.6 -6,-0.2 -6,-0.2 19,-0.1 -0.642 46.0 169.2 -72.0 108.5 34.8 89.7 89.3 115 115 A Q E + 0 0 106 -8,-2.8 2,-0.3 -2,-0.9 -7,-0.2 0.759 54.0 10.4 -97.1 -31.9 37.6 90.8 86.9 116 116 A S E -L 107 0E 59 -9,-1.6 -9,-3.3 14,-0.1 -1,-0.3 -0.994 48.0-170.1-152.0 150.1 36.5 94.2 85.5 117 117 A V > - 0 0 9 -2,-0.3 3,-1.6 -11,-0.2 4,-0.2 -0.982 40.7-107.1-141.3 123.3 33.9 96.7 86.1 118 118 A P T 3 S+ 0 0 47 0, 0.0 5,-0.1 0, 0.0 -12,-0.1 -0.278 101.3 1.3 -58.3 133.9 33.5 99.5 83.5 119 119 A F T 3>>S+ 0 0 153 4,-0.1 4,-2.5 3,-0.1 5,-0.5 0.845 85.5 159.1 59.6 33.4 34.8 102.8 84.7 120 120 A E H <>> + 0 0 44 -3,-1.6 4,-2.0 2,-0.2 5,-1.7 0.956 68.5 42.6 -54.7 -55.2 35.7 101.2 88.0 121 121 A K H 45S+ 0 0 131 1,-0.2 4,-0.4 3,-0.2 -1,-0.2 0.928 118.5 45.6 -57.7 -46.9 38.3 103.8 89.2 122 122 A D H 45S+ 0 0 143 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.838 127.0 25.5 -67.2 -35.9 36.1 106.7 88.1 123 123 A L H <5S+ 0 0 124 -4,-2.5 -3,-0.2 2,-0.1 -2,-0.2 0.888 137.5 21.8 -95.8 -52.0 32.8 105.4 89.6 124 124 A Y T >< + 0 0 111 -2,-0.4 3,-2.0 1,-0.2 4,-0.3 -0.611 19.5 173.6 -86.8 77.5 35.4 94.8 97.0 130 130 A K G > S+ 0 0 60 -2,-1.6 3,-2.3 1,-0.3 -16,-0.6 0.845 71.7 67.3 -56.4 -35.7 35.7 92.7 93.8 131 131 A K G 3 S+ 0 0 197 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.779 103.6 45.6 -53.6 -30.9 37.1 89.8 95.8 132 132 A C G < S+ 0 0 92 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.450 102.8 68.0 -94.9 -0.3 33.7 89.5 97.5 133 133 A L < + 0 0 27 -3,-2.3 -51,-0.2 -4,-0.3 -1,-0.2 -0.091 64.2 133.4-112.8 32.1 31.7 89.8 94.3 134 134 A G S S- 0 0 20 -3,-0.4 -21,-0.2 1,-0.1 3,-0.1 -0.452 70.4 -79.9 -78.3 159.1 32.6 86.6 92.4 135 135 A L - 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0 0 1 -3,-3.4 4,-2.4 1,-0.2 -5,-0.3 -0.516 42.2-150.3 -64.0 119.3 12.1 59.3 69.9 357 357 A F H > S+ 0 0 0 -7,-1.7 4,-1.1 -2,-0.5 -1,-0.2 0.871 96.8 48.2 -63.5 -30.7 9.3 56.9 69.0 358 358 A W H >> S+ 0 0 5 -7,-1.2 4,-0.9 2,-0.2 3,-0.8 0.964 110.3 49.1 -68.1 -52.9 10.0 55.0 72.3 359 359 A E H >> S+ 0 0 21 -8,-2.0 3,-0.8 1,-0.3 4,-0.7 0.867 106.2 59.8 -55.3 -35.8 10.1 58.1 74.5 360 360 A S H >X S+ 0 0 17 -4,-2.4 3,-1.0 -9,-0.3 4,-0.5 0.878 95.0 61.7 -60.5 -38.9 6.8 59.1 72.8 361 361 A D H << S+ 0 0 18 -4,-1.1 4,-0.5 -3,-0.8 -1,-0.3 0.839 105.4 49.3 -51.9 -35.4 5.2 55.9 74.1 362 362 A D H S+ 0 0 20 -4,-0.5 4,-2.4 1,-0.2 5,-0.5 0.877 113.4 54.4 -59.8 -40.4 0.9 60.1 78.3 365 365 A N H >5S+ 0 0 76 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.962 115.4 37.8 -56.9 -51.6 1.9 57.7 81.0 366 366 A M H X5S+ 0 0 14 -4,-2.6 4,-1.3 1,-0.2 -172,-0.5 0.897 119.4 47.6 -70.5 -41.0 4.2 60.3 82.7 367 367 A E H X5S+ 0 0 7 -4,-3.1 4,-3.1 -5,-0.2 5,-0.2 0.951 115.1 40.5 -67.7 -52.9 2.0 63.3 82.0 368 368 A T H X5S+ 0 0 64 -4,-2.4 4,-3.6 1,-0.2 5,-0.2 0.913 113.8 54.2 -66.7 -40.5 -1.4 62.0 83.2 369 369 A A H X< S+ 0 0 0 -4,-1.3 3,-0.9 -5,-0.2 -2,-0.2 0.932 115.9 47.4 -78.2 -44.6 1.6 63.5 87.2 371 371 A Q H >< S+ 0 0 67 -4,-3.1 3,-1.8 1,-0.3 4,-0.5 0.846 104.5 60.1 -68.2 -34.2 -1.4 65.6 86.4 372 372 A N H >< S+ 0 0 52 -4,-3.6 3,-1.2 1,-0.3 -1,-0.3 0.782 90.1 73.8 -62.4 -22.5 -3.7 63.2 88.2 373 373 A G T << S+ 0 0 1 -3,-0.9 -351,-0.4 -4,-0.6 -1,-0.3 0.630 95.9 49.7 -64.6 -14.9 -1.6 64.0 91.3 374 374 A K T < S+ 0 0 72 -3,-1.8 -1,-0.3 -4,-0.2 2,-0.2 0.603 84.8 110.2 -96.0 -16.3 -3.3 67.4 91.4 375 375 A K S X> S- 0 0 111 -3,-1.2 3,-2.4 -4,-0.5 4,-1.5 -0.448 74.5-127.6 -69.3 128.6 -6.8 66.0 91.1 376 376 A Y T 34 S+ 0 0 171 1,-0.3 4,-0.5 -2,-0.2 3,-0.4 0.832 105.2 46.5 -43.8 -50.8 -8.7 66.4 94.3 377 377 A Q T 34 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.523 116.6 46.1 -76.3 -2.4 -9.8 62.8 94.7 378 378 A S T X4 S+ 0 0 35 -3,-2.4 3,-2.3 -6,-0.2 -360,-0.4 0.594 84.4 88.6-111.6 -20.0 -6.3 61.4 94.0 379 379 A R T 3< S+ 0 0 116 -4,-1.5 -360,-2.1 -3,-0.4 -359,-0.2 0.888 98.9 35.8 -47.1 -47.8 -4.2 63.7 96.1 380 380 A D T 3 S+ 0 0 101 -4,-0.5 -1,-0.3 -362,-0.2 2,-0.1 0.219 96.8 111.7 -94.1 11.9 -4.4 61.4 99.1 381 381 A S < - 0 0 49 -3,-2.3 -363,-2.7 -8,-0.1 2,-0.6 -0.432 68.8-114.2 -82.2 165.9 -4.4 58.1 97.1 382 382 A D E -B 17 0A 83 -365,-0.2 2,-0.4 -2,-0.1 -365,-0.2 -0.884 11.3-148.7-110.8 119.1 -1.5 55.7 97.2 383 383 A L E -B 16 0A 39 -367,-3.2 -367,-1.8 -2,-0.6 2,-0.4 -0.706 30.4-133.0 -73.6 129.7 0.7 54.9 94.2 384 384 A L E +B 15 0A 118 -2,-0.4 -369,-0.2 -369,-0.2 -370,-0.1 -0.710 40.2 160.7 -92.9 132.8 1.8 51.3 94.7 385 385 A S + 0 0 0 -371,-3.1 29,-0.1 -2,-0.4 -370,-0.1 -0.326 38.3 119.9-139.0 55.3 5.3 50.1 94.4 386 386 A N > + 0 0 93 3,-0.1 3,-1.8 2,-0.1 2,-0.4 0.303 30.6 130.3-101.9 4.3 5.0 46.8 96.3 387 387 A L T 3 S+ 0 0 62 1,-0.3 23,-2.5 -373,-0.1 24,-0.2 -0.492 82.7 4.2 -69.8 119.7 6.0 44.4 93.6 388 388 A G T > S+ 0 0 14 -2,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.511 89.3 155.9 87.2 3.6 8.6 42.0 94.8 389 389 A F T < + 0 0 46 -3,-1.8 -1,-0.3 1,-0.2 55,-0.1 -0.515 63.2 29.7 -66.9 131.8 8.4 43.3 98.3 390 390 A G T 3 S+ 0 0 17 53,-0.4 -1,-0.2 -2,-0.3 54,-0.1 0.505 110.2 71.7 95.7 11.6 9.6 40.7 100.8 391 391 A E < + 0 0 139 -3,-1.5 14,-0.5 56,-0.1 2,-0.2 0.280 67.9 106.2-132.8 2.0 11.9 39.0 98.3 392 392 A D - 0 0 2 51,-0.2 2,-0.3 -4,-0.2 12,-0.2 -0.623 53.6-155.9 -83.4 149.7 14.7 41.6 98.1 393 393 A V E -U 403 0F 49 10,-2.6 10,-3.2 -2,-0.2 2,-0.4 -0.800 5.2-147.7-123.2 164.3 18.0 40.9 99.7 394 394 A Y E S+U 402 0F 97 -2,-0.3 8,-0.2 8,-0.2 -2,-0.0 -0.999 74.4 20.4-132.5 140.3 20.8 42.9 101.1 395 395 A G S S- 0 0 53 6,-0.9 -1,-0.1 -2,-0.4 7,-0.1 0.832 76.7-175.6 81.1 37.0 24.5 42.2 101.2 396 396 A D - 0 0 41 3,-0.7 -1,-0.2 5,-0.5 5,-0.1 -0.244 34.1-121.6 -65.9 152.3 24.4 39.5 98.6 397 397 A A S S+ 0 0 105 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.792 107.2 17.3 -65.0 -25.2 27.7 37.6 97.9 398 398 A V S S+ 0 0 66 1,-0.3 -1,-0.1 -111,-0.0 -2,-0.0 0.829 123.6 46.2-111.9 -49.5 27.7 38.7 94.3 399 399 A Y S S- 0 0 43 2,-0.1 -3,-0.7 4,-0.0 -1,-0.3 -0.889 75.0-147.5-108.1 112.7 25.3 41.7 93.7 400 400 A P + 0 0 29 0, 0.0 2,-0.2 0, 0.0 -231,-0.1 -0.418 54.5 38.3 -80.9 153.2 25.6 44.5 96.2 401 401 A G S S- 0 0 1 -2,-0.1 -6,-0.9 -159,-0.1 2,-0.7 -0.592 110.2 -39.8 106.4-171.3 22.8 46.7 97.3 402 402 A V E S-PU 243 394F 0 -159,-2.3 -159,-1.5 -2,-0.2 2,-0.4 -0.871 80.1-167.0 -88.0 123.7 19.2 46.0 98.1 403 403 A V E -PU 242 393F 1 -10,-3.2 -10,-2.6 -2,-0.7 2,-0.6 -0.951 30.5-158.0-132.1 133.9 18.6 43.6 95.2 404 404 A G E -P 241 0F 1 -163,-3.6 -163,-2.8 -2,-0.4 2,-1.6 -0.946 17.8-147.6-105.6 117.3 15.6 42.0 93.6 405 405 A K S S+ 0 0 120 -2,-0.6 2,-0.3 -14,-0.5 -168,-0.2 -0.277 72.1 87.6 -85.2 52.1 16.8 38.9 91.8 406 406 A S S S- 0 0 33 -2,-1.6 -166,-0.2 -165,-0.1 -2,-0.1 -0.973 76.2-134.1-150.1 133.4 14.1 39.4 89.2 407 407 A A S S+ 0 0 11 -168,-0.4 2,-0.5 -2,-0.3 -167,-0.2 0.873 97.0 46.9 -52.7 -42.1 14.2 41.4 86.0 408 408 A I S S+ 0 0 56 -169,-0.1 2,-0.3 -202,-0.1 -1,-0.2 -0.916 79.4 99.4-113.8 120.4 10.7 42.9 86.7 409 409 A G - 0 0 2 -2,-0.5 -203,-0.4 -205,-0.4 -202,-0.3 -0.963 69.7-106.6-177.3-179.4 9.9 44.4 90.1 410 410 A E S > S+ 0 0 26 -23,-2.5 4,-2.0 -2,-0.3 3,-0.5 0.128 74.1 117.8-118.6 22.4 9.6 47.6 92.1 411 411 A T H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.904 78.2 49.2 -51.7 -49.3 12.7 47.2 94.2 412 412 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.777 106.5 55.3 -67.9 -27.0 14.2 50.3 92.7 413 413 A Y H > S+ 0 0 12 -3,-0.5 4,-3.0 -209,-0.2 5,-0.3 0.909 106.4 52.8 -67.4 -43.5 11.1 52.4 93.3 414 414 A R H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.912 112.2 43.3 -58.5 -45.5 11.2 51.4 97.0 415 415 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.877 113.5 52.1 -68.6 -41.3 14.8 52.6 97.4 416 416 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.974 115.2 40.1 -59.0 -55.1 14.2 55.7 95.4 417 417 A Y H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.814 110.1 59.1 -69.2 -29.2 11.2 56.8 97.4 418 418 A R H X S+ 0 0 8 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.952 111.2 41.9 -60.1 -48.4 12.8 55.7 100.7 419 419 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 113.2 54.4 -66.0 -38.5 15.6 58.1 100.1 420 420 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.946 109.1 46.9 -61.5 -47.7 13.2 60.8 98.8 421 421 A Q H X S+ 0 0 29 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.923 110.7 53.7 -57.3 -49.1 11.0 60.6 102.0 422 422 A A H < S+ 0 0 6 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.892 113.1 42.0 -53.8 -46.2 14.2 60.8 104.2 423 423 A H H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.909 112.4 53.0 -69.0 -40.6 15.4 63.9 102.5 424 424 A V H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.814 114.1 42.5 -69.3 -29.9 12.0 65.6 102.3 425 425 A S T 3< S+ 0 0 29 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.3 0.414 105.3 86.6 -93.8 1.9 11.5 65.2 106.0 426 426 A S < - 0 0 6 -3,-1.1 3,-0.1 -4,-0.2 -422,-0.0 -0.840 60.2-157.5-109.1 145.7 15.1 66.2 106.7 427 427 A S S S- 0 0 81 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.610 77.4 -6.5 -92.6 -17.2 16.6 69.6 107.3 428 428 A N S > S- 0 0 54 1,-0.1 4,-1.8 -273,-0.0 3,-0.1 -0.965 84.7 -79.1-163.2 178.3 20.1 68.7 106.4 429 429 A W H > S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.829 120.9 55.7 -59.3 -38.6 22.4 65.8 105.5 430 430 A A H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 107.4 49.6 -63.7 -42.0 22.9 64.7 109.1 431 431 A E H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 109.1 53.4 -62.2 -36.6 19.3 64.3 109.6 432 432 A F H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.948 108.6 48.3 -63.3 -48.0 19.1 62.3 106.4 433 433 A E H >< S+ 0 0 57 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.929 112.4 49.5 -57.1 -43.2 21.8 59.9 107.6 434 434 A H H >< S+ 0 0 155 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.875 111.6 48.5 -62.9 -36.3 19.9 59.6 110.9 435 435 A A H 3< S+ 0 0 41 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.634 114.4 47.9 -77.2 -13.0 16.8 58.9 109.0 436 436 A S T X< S+ 0 0 1 -4,-1.1 3,-1.4 -3,-0.8 4,-0.2 0.165 72.7 110.0-113.9 15.9 18.6 56.3 106.8 437 437 A S T < S+ 0 0 89 -3,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.753 92.9 31.5 -64.3 -25.8 20.5 54.3 109.5 438 438 A T T 3> S+ 0 0 81 -3,-0.2 4,-2.7 -4,-0.2 -1,-0.3 0.029 82.2 131.6-118.9 29.5 18.3 51.2 108.8 439 439 A W H <> S+ 0 0 17 -3,-1.4 4,-2.1 1,-0.2 5,-0.1 0.881 74.2 41.5 -53.0 -55.2 17.6 51.8 105.1 440 440 A H H > S+ 0 0 53 -4,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.902 114.0 53.5 -67.4 -34.6 18.4 48.4 103.8 441 441 A T H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.904 108.6 50.7 -62.4 -37.6 16.6 46.7 106.7 442 442 A E H >< S+ 0 0 44 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.931 109.7 51.2 -65.2 -39.4 13.6 48.9 105.9 443 443 A L H 3< S+ 0 0 1 -4,-2.1 -53,-0.4 -5,-0.2 -51,-0.2 0.715 118.3 35.0 -71.6 -19.6 13.8 47.7 102.2 444 444 A T H >< S+ 0 0 23 -4,-1.3 3,-4.2 -3,-0.4 -1,-0.2 0.316 77.5 137.8-113.6 4.5 13.9 44.0 103.0 445 445 A K T << S+ 0 0 105 -4,-0.7 -1,-0.1 -3,-0.7 -2,-0.1 0.627 74.7 37.2 -27.6 -50.5 11.6 44.0 106.0 446 446 A T T 3 0 0 109 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.502 360.0 360.0 -90.9 3.9 9.6 40.9 105.2 447 447 A T < 0 0 91 -3,-4.2 -1,-0.1 -55,-0.1 -56,-0.1 -0.568 360.0 360.0 -90.1 360.0 12.5 39.0 103.8 448 !* 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 0 167 0, 0.0 2,-0.5 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 -53.7 23.1 88.6 45.7 450 503 B I - 0 0 50 13,-0.2 2,-0.7 4,-0.0 3,-0.0 -0.857 360.0-166.1-108.0 129.3 24.4 88.1 49.2 451 504 B N >> - 0 0 62 -2,-0.5 4,-3.8 1,-0.1 3,-1.2 -0.920 7.9-163.4-105.9 105.2 27.8 89.1 50.6 452 505 B I T 34 S+ 0 0 70 -2,-0.7 6,-0.2 1,-0.3 -1,-0.1 0.660 88.2 61.7 -67.9 -15.5 28.1 87.3 54.0 453 506 B Q T 34 S+ 0 0 168 1,-0.1 -1,-0.3 4,-0.1 3,-0.2 0.771 117.5 30.8 -77.4 -28.4 30.9 89.6 55.0 454 507 B E T <4 S+ 0 0 143 -3,-1.2 2,-2.0 1,-0.2 -2,-0.2 0.883 117.0 55.8 -90.2 -53.6 28.5 92.5 54.7 455 508 B D S >< S- 0 0 94 -4,-3.8 3,-1.8 1,-0.2 -1,-0.2 -0.596 77.7-178.5 -80.8 79.3 25.3 90.6 55.6 456 509 B K T 3 S+ 0 0 177 -2,-2.0 -1,-0.2 1,-0.3 -4,-0.1 0.624 70.0 55.5 -61.0 -21.4 26.9 89.5 58.9 457 510 B L T 3 S+ 0 0 174 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.520 86.0 104.0 -90.1 -5.7 24.0 87.5 60.2 458 511 B V < - 0 0 39 -3,-1.8 2,-0.1 -6,-0.2 -3,-0.0 -0.634 65.6-137.2 -88.3 130.0 23.8 85.3 57.1 459 512 B S > - 0 0 47 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.465 20.0-121.7 -75.1 150.4 25.2 81.7 57.2 460 513 B A H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.915 115.4 53.8 -58.0 -42.0 27.2 80.5 54.3 461 514 B H H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 108.2 47.5 -58.9 -49.1 24.6 77.8 53.9 462 515 B D H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 110.6 51.4 -59.5 -45.0 21.7 80.2 53.7 463 516 B A H X S+ 0 0 17 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.912 109.6 52.3 -59.8 -40.7 23.4 82.4 51.2 464 517 B E H X S+ 0 0 112 -4,-2.3 4,-1.0 -5,-0.2 3,-0.3 0.943 109.8 48.1 -57.5 -49.4 24.0 79.3 49.1 465 518 B E H X S+ 0 0 18 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.847 107.7 52.7 -64.0 -38.3 20.4 78.2 49.1 466 519 B I H >X S+ 0 0 59 -4,-2.2 4,-1.3 1,-0.2 3,-0.6 0.824 100.1 64.6 -71.8 -25.1 18.9 81.6 48.2 467 520 B L H 3X S+ 0 0 84 -4,-1.2 4,-1.1 -3,-0.3 -1,-0.2 0.878 95.0 57.3 -66.8 -35.8 21.2 81.8 45.2 468 521 B R H 3X S+ 0 0 66 -4,-1.0 4,-0.6 -3,-0.3 -1,-0.2 0.794 110.9 42.9 -67.6 -22.7 19.6 78.8 43.5 469 522 B F H << S+ 0 0 14 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.718 106.4 60.1 -94.5 -19.8 16.1 80.4 43.6 470 523 B F H < S+ 0 0 115 -4,-1.3 3,-0.2 -3,-0.2 -2,-0.2 0.804 102.1 50.9 -79.9 -29.7 17.0 83.9 42.6 471 524 B N H < S+ 0 0 126 -4,-1.1 2,-0.6 1,-0.2 -2,-0.1 0.989 114.2 26.8 -71.8 -67.1 18.5 83.2 39.2 472 525 B C < - 0 0 79 -4,-0.6 2,-0.9 102,-0.1 -1,-0.2 -0.896 60.3-169.8-109.4 110.8 16.0 81.0 37.3 473 526 B H - 0 0 138 -2,-0.6 2,-1.0 -3,-0.2 3,-0.1 -0.851 5.2-170.8 -97.0 103.8 12.3 81.3 38.1 474 527 B D >> - 0 0 72 -2,-0.9 4,-1.8 98,-0.5 3,-1.1 -0.827 6.0-163.1 -95.4 99.2 10.6 78.4 36.3 475 528 B S H 3> S+ 0 0 72 -2,-1.0 4,-1.1 1,-0.3 -1,-0.2 0.798 87.6 49.2 -54.1 -33.4 7.0 79.3 36.8 476 529 B A H 3> S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.740 107.6 55.0 -80.5 -23.4 5.8 75.8 35.9 477 530 B L H <> S+ 0 0 16 -3,-1.1 4,-3.0 2,-0.2 -2,-0.2 0.861 104.5 53.1 -74.4 -38.9 8.3 74.2 38.2 478 531 B Q H X S+ 0 0 45 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.865 110.3 49.4 -64.8 -34.7 7.0 76.2 41.2 479 532 B Q H X S+ 0 0 99 -4,-1.1 4,-2.5 -5,-0.2 -2,-0.2 0.897 109.8 48.9 -74.2 -40.7 3.6 75.0 40.3 480 533 B E H X S+ 0 0 46 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.957 112.2 50.3 -57.4 -50.2 4.7 71.4 40.1 481 534 B A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.916 109.2 52.1 -54.8 -45.2 6.4 71.9 43.5 482 535 B T H X S+ 0 0 39 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.941 111.5 45.5 -58.5 -50.2 3.2 73.3 44.9 483 536 B T H X S+ 0 0 71 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.940 112.1 51.5 -58.6 -47.1 1.2 70.4 43.8 484 537 B L H X S+ 0 0 25 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.922 114.4 42.6 -57.6 -48.6 3.8 67.9 45.1 485 538 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.839 113.2 53.0 -68.2 -35.3 3.9 69.5 48.5 486 539 B T H X S+ 0 0 81 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.950 111.5 44.2 -68.1 -44.2 0.1 69.9 48.7 487 540 B Q H X S+ 0 0 97 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.870 113.7 51.4 -64.0 -40.4 -0.6 66.3 47.9 488 541 B E H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.920 111.5 47.2 -64.2 -41.6 2.2 65.2 50.4 489 542 B A H X S+ 0 0 9 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.875 111.1 53.4 -66.9 -36.6 0.7 67.4 53.1 490 543 B H H X S+ 0 0 119 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.934 109.6 45.5 -64.4 -49.2 -2.7 66.0 52.3 491 544 B L H <>S+ 0 0 38 -4,-2.5 5,-2.5 2,-0.2 4,-0.3 0.932 115.9 47.5 -59.4 -45.4 -1.6 62.4 52.7 492 545 B L H ><5S+ 0 0 1 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.936 109.1 55.4 -63.8 -42.0 0.2 63.2 55.9 493 546 B D H 3<5S+ 0 0 31 -4,-3.2 70,-0.7 1,-0.3 -1,-0.2 0.817 109.6 43.4 -61.2 -34.5 -2.8 65.1 57.2 494 547 B I T 3<5S- 0 0 92 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.390 116.1-115.7 -92.7 4.9 -5.1 62.2 56.8 495 548 B Q T < 5 + 0 0 32 -3,-1.6 2,-1.8 -4,-0.3 3,-0.3 0.755 62.4 151.7 68.1 30.8 -2.5 59.9 58.2 496 549 B A >< + 0 0 27 -5,-2.5 4,-2.8 1,-0.2 -1,-0.2 -0.459 12.5 160.4 -85.6 61.6 -2.0 57.9 55.0 497 550 B Y H > + 0 0 7 -2,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.841 68.5 50.4 -59.2 -35.0 1.5 57.2 56.1 498 551 B R H > S+ 0 0 84 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.957 111.9 47.6 -70.3 -43.7 1.9 54.2 53.8 499 552 B A H > S+ 0 0 32 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.909 110.5 54.2 -59.1 -42.6 0.6 56.1 50.8 500 553 B W H X>S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.9 0.981 111.5 43.2 -53.9 -57.3 3.0 58.9 51.8 501 554 B L H X5S+ 0 0 7 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.926 117.6 46.7 -55.1 -44.8 5.9 56.6 51.8 502 555 B E H <5S+ 0 0 138 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.870 126.6 24.2 -67.6 -40.1 4.8 54.9 48.5 503 556 B H H <5S+ 0 0 82 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.634 130.9 31.1-105.0 -18.9 4.0 58.0 46.6 504 557 B C H <5S+ 0 0 3 -4,-3.2 116,-3.7 -5,-0.4 2,-0.5 0.658 100.8 75.0-115.1 -19.1 6.1 60.8 48.1 505 558 B V E << -v 620 0G 2 -4,-0.9 116,-0.2 -5,-0.9 2,-0.1 -0.870 65.7-140.3-112.0 125.4 9.3 59.3 49.4 506 559 B G E > - 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