==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-APR-11 3RM8 . COMPND 2 MOLECULE: ACIDIC MAMMALIAN CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.OLLAND . 750 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 2 0.3 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 . 41 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 0 0 0 6 0 5 3 0 0 1 1 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 8 4 2 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 0 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 22 A Y 0 0 108 0, 0.0 2,-0.3 0, 0.0 334,-0.3 0.000 360.0 360.0 360.0 144.6 10.3 50.6 89.0 2 23 A Q E -a 335 0A 47 332,-2.2 334,-2.6 29,-0.1 2,-0.4 -0.681 360.0-160.4 -85.4 145.3 11.0 50.5 85.2 3 24 A L E -a 336 0A 0 -2,-0.3 28,-2.4 332,-0.2 29,-2.0 -0.921 16.7-174.6-125.3 107.0 9.4 53.1 82.9 4 25 A T E -ab 337 32A 2 332,-2.9 334,-2.8 -2,-0.4 2,-0.5 -0.879 3.8-166.7-113.2 124.8 9.6 51.7 79.4 5 26 A a E -ab 338 33A 0 27,-3.0 29,-2.6 -2,-0.5 2,-0.3 -0.946 11.4-142.5-123.9 125.5 8.6 53.7 76.4 6 27 A Y E - b 0 34A 2 332,-2.8 335,-2.8 -2,-0.5 334,-0.5 -0.681 12.3-162.2 -84.6 136.9 7.9 52.5 72.8 7 28 A F E - b 0 35A 1 27,-3.2 29,-3.0 -2,-0.3 2,-0.5 -0.940 10.8-142.6-115.4 140.1 8.9 54.7 69.9 8 29 A T E > - b 0 36A 1 -2,-0.4 3,-1.3 27,-0.2 4,-0.3 -0.897 7.7-146.5-112.3 131.8 7.4 54.1 66.4 9 30 A N T 3 S+ 0 0 3 27,-2.9 28,-0.1 -2,-0.5 -1,-0.1 0.372 97.8 57.9 -77.9 4.6 9.4 54.5 63.2 10 31 A W T > S+ 0 0 58 26,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.425 79.3 86.2-107.8 -3.1 6.4 55.8 61.3 11 32 A A G X S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.3 9,-1.1 0.762 76.7 72.7 -63.3 -24.5 5.7 58.7 63.6 12 33 A Q G 3 S+ 0 0 9 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.715 90.0 59.5 -58.7 -23.0 8.2 60.6 61.4 13 34 A Y G < S+ 0 0 36 -3,-1.5 -1,-0.2 7,-0.1 -2,-0.2 0.447 78.0 111.9 -91.7 -1.5 5.6 60.7 58.6 14 35 A R S < S- 0 0 21 -3,-1.5 5,-0.2 4,-0.2 260,-0.1 -0.476 73.1-106.7 -74.7 142.9 3.0 62.6 60.6 15 36 A P > - 0 0 33 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.325 65.5 -36.1 -72.2 151.8 2.2 66.2 59.4 16 37 A G G > S+ 0 0 69 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 -0.024 132.5 9.2 47.5-126.1 3.4 69.4 61.2 17 38 A L G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 330,-0.1 0.569 123.6 67.7 -64.1 -11.8 3.3 69.2 65.0 18 39 A G G < S+ 0 0 0 -3,-2.3 -1,-0.3 254,-0.1 -4,-0.2 0.692 71.1 110.3 -80.7 -22.4 2.7 65.5 64.8 19 40 A R < - 0 0 124 -3,-1.7 2,-0.4 -4,-0.3 -7,-0.2 -0.363 48.2-175.2 -59.7 125.2 6.1 64.7 63.3 20 41 A F + 0 0 0 -9,-1.1 -6,-0.1 -2,-0.1 -7,-0.1 -0.982 6.2 177.6-132.9 123.3 8.2 62.8 65.9 21 42 A M > - 0 0 34 -2,-0.4 3,-2.2 -10,-0.1 4,-0.3 -0.708 46.8 -99.1-115.4 164.7 11.8 61.8 65.6 22 43 A P G > S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 0.875 122.0 60.5 -51.2 -38.6 14.3 60.0 68.0 23 44 A D G 3 S+ 0 0 113 1,-0.3 36,-0.0 3,-0.0 -3,-0.0 0.515 92.8 66.5 -71.8 -2.9 15.8 63.5 68.8 24 45 A D G < S+ 0 0 68 -3,-2.2 2,-0.4 2,-0.1 -1,-0.3 0.519 80.3 102.4 -89.1 -8.7 12.3 64.6 70.1 25 46 A I S < S- 0 0 5 -3,-1.8 317,-0.0 -4,-0.3 -18,-0.0 -0.624 76.5-130.3 -76.3 128.3 12.7 62.0 73.0 26 47 A N >> - 0 0 70 -2,-0.4 3,-1.9 1,-0.1 4,-0.6 -0.734 15.5-151.9 -72.6 112.4 13.6 63.4 76.4 27 48 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.656 92.8 54.0 -64.9 -14.2 16.5 61.0 77.3 28 49 A b T 34 S+ 0 0 41 1,-0.1 343,-0.1 345,-0.1 -2,-0.0 0.402 91.5 76.5 -96.2 -2.3 15.7 61.6 81.0 29 50 A L T <4 S+ 0 0 4 -3,-1.9 2,-0.3 1,-0.0 -1,-0.1 0.936 95.8 30.9 -80.6 -49.3 12.0 60.6 80.8 30 51 A a < - 0 0 5 -4,-0.6 -26,-0.2 1,-0.1 3,-0.1 -0.739 59.9-143.5-112.8 157.0 12.0 56.8 80.6 31 52 A T S S+ 0 0 29 -28,-2.4 39,-1.8 -2,-0.3 2,-0.4 0.790 93.2 29.5 -84.1 -34.1 14.4 54.1 81.9 32 53 A H E -bc 4 70A 11 -29,-2.0 -27,-3.0 37,-0.2 2,-0.4 -0.988 66.7-161.3-129.3 137.8 14.0 52.0 78.8 33 54 A L E -bc 5 71A 1 37,-2.4 39,-2.6 -2,-0.4 2,-0.5 -0.974 8.1-160.7-116.2 132.7 13.3 53.0 75.2 34 55 A I E -bc 6 72A 0 -29,-2.6 -27,-3.2 -2,-0.4 2,-0.6 -0.961 10.1-142.2-118.9 129.1 12.0 50.4 72.7 35 56 A Y E -bc 7 73A 0 37,-3.1 39,-3.2 -2,-0.5 2,-0.4 -0.781 23.7-130.7 -94.5 115.2 12.2 50.9 68.9 36 57 A A E +bc 8 74A 0 -29,-3.0 -27,-2.9 -2,-0.6 -26,-0.2 -0.937 64.7 17.0-113.5 129.3 9.2 49.7 66.9 37 58 A F E + 0 0 12 37,-0.6 12,-0.3 -2,-0.4 2,-0.3 0.629 45.6 163.6-129.5 158.1 9.5 47.9 64.5 38 59 A A E - c 0 75A 0 36,-2.9 38,-2.1 -3,-0.2 9,-0.2 -0.715 26.3-154.0 -97.0 159.4 12.2 45.7 63.0 39 60 A G E -I 46 0B 3 7,-2.7 7,-1.8 -2,-0.3 2,-0.3 -0.334 7.7-116.3-116.7-160.1 11.3 43.0 60.4 40 61 A M E +I 45 0B 20 5,-0.3 2,-0.3 -2,-0.1 5,-0.2 -0.998 20.0 178.1-148.2 140.8 12.6 39.7 59.0 41 62 A Q E > S-I 44 0B 107 3,-2.7 3,-1.3 -2,-0.3 -2,-0.0 -0.950 78.6 -10.1-145.3 125.2 14.0 38.4 55.8 42 63 A N T 3 S- 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.908 129.0 -55.5 51.0 47.2 15.2 34.8 55.2 43 64 A N T 3 S+ 0 0 35 1,-0.2 2,-0.4 41,-0.0 -1,-0.3 0.624 117.2 112.2 64.0 17.3 15.0 34.2 59.0 44 65 A E E < S-I 41 0B 96 -3,-1.3 -3,-2.7 57,-0.1 -1,-0.2 -0.955 73.6-107.6-121.2 141.2 17.2 37.1 59.8 45 66 A I E +I 40 0B 9 -2,-0.4 2,-0.3 53,-0.4 -5,-0.3 -0.350 46.5 170.6 -64.6 140.9 16.3 40.4 61.5 46 67 A T E -I 39 0B 43 -7,-1.8 -7,-2.7 -2,-0.0 2,-0.0 -0.904 34.1 -93.1-142.8 169.9 16.1 43.5 59.2 47 68 A T - 0 0 55 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.234 22.4-164.1 -72.1 172.0 15.1 47.1 59.0 48 69 A I + 0 0 77 1,-0.3 2,-0.2 -11,-0.2 -1,-0.1 0.590 68.2 58.7-122.9 -54.2 11.6 48.2 57.8 49 70 A E S > S- 0 0 32 -12,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.559 84.8-119.7 -84.6 148.4 11.9 51.9 57.0 50 71 A W T 3 S+ 0 0 92 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.784 113.1 39.8 -56.1 -32.5 14.4 53.3 54.5 51 72 A N T 3> S+ 0 0 18 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.155 76.3 118.3-107.5 17.7 16.1 55.4 57.1 52 73 A D H <> S+ 0 0 0 -3,-1.9 4,-3.4 1,-0.2 5,-0.2 0.851 74.1 55.2 -52.4 -41.3 16.0 53.0 60.1 53 74 A V H > S+ 0 0 61 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.930 110.3 45.0 -60.6 -46.5 19.9 52.9 60.3 54 75 A T H > S+ 0 0 94 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.913 115.7 48.3 -60.8 -43.5 20.1 56.7 60.6 55 76 A L H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.885 107.1 55.0 -66.8 -39.4 17.2 56.6 63.1 56 77 A Y H X S+ 0 0 1 -4,-3.4 4,-2.9 2,-0.2 5,-0.3 0.889 107.3 52.3 -55.1 -43.2 18.9 53.8 65.1 57 78 A Q H X S+ 0 0 146 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.918 114.4 40.1 -61.6 -47.2 22.0 56.0 65.4 58 79 A A H < S+ 0 0 23 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.870 116.9 50.9 -69.0 -39.5 20.0 59.0 66.8 59 80 A F H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 4,-0.2 0.967 116.2 38.3 -64.3 -56.8 17.8 56.7 69.0 60 81 A N H >< S+ 0 0 5 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.770 105.4 70.1 -68.5 -23.7 20.7 54.8 70.6 61 82 A G G >< S+ 0 0 22 -4,-1.4 3,-1.5 -5,-0.3 -1,-0.3 0.647 79.2 78.1 -65.1 -17.2 22.7 58.1 70.7 62 83 A L G X> S+ 0 0 2 -3,-1.4 3,-1.5 -4,-0.4 4,-0.6 0.739 80.4 69.4 -62.6 -22.7 20.2 59.3 73.4 63 84 A K G <4 S+ 0 0 34 -3,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.715 84.8 68.1 -68.5 -21.8 22.3 57.1 75.7 64 85 A N G <4 S+ 0 0 112 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.525 104.9 43.3 -70.2 -7.7 25.1 59.6 75.3 65 86 A K T <4 S+ 0 0 125 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.497 122.7 36.0-113.4 -14.0 22.8 62.0 77.3 66 87 A N >< - 0 0 8 -4,-0.6 3,-1.1 -3,-0.2 -1,-0.3 -0.838 63.7-164.9-144.0 103.4 21.7 59.5 79.9 67 88 A S T 3 S+ 0 0 49 307,-3.0 308,-0.1 -2,-0.3 306,-0.1 0.661 91.4 51.6 -61.6 -20.1 24.2 57.0 81.1 68 89 A Q T 3 S+ 0 0 123 304,-0.3 -1,-0.3 306,-0.2 -5,-0.1 0.664 83.5 113.1 -91.2 -20.8 21.5 54.8 82.7 69 90 A L < - 0 0 2 -3,-1.1 2,-0.4 -6,-0.2 -37,-0.2 -0.250 47.3-164.7 -60.1 134.4 19.2 54.6 79.7 70 91 A K E -c 32 0A 83 -39,-1.8 -37,-2.4 41,-0.0 2,-0.3 -0.940 2.7-156.8-119.2 147.8 18.8 51.3 78.0 71 92 A T E -c 33 0A 0 -2,-0.4 41,-2.4 -39,-0.2 42,-0.4 -0.932 7.2-171.6-125.9 146.7 17.4 50.7 74.5 72 93 A L E -c 34 0A 2 -39,-2.6 -37,-3.1 -2,-0.3 2,-0.5 -0.948 19.7-131.0-133.7 156.2 15.7 47.7 72.8 73 94 A L E -cd 35 114A 0 40,-2.2 42,-2.8 -2,-0.3 2,-0.6 -0.938 19.2-145.4-108.3 124.5 14.6 46.8 69.3 74 95 A A E -cd 36 115A 0 -39,-3.2 -36,-2.9 -2,-0.5 -37,-0.6 -0.801 11.4-160.5 -91.7 119.7 11.1 45.4 68.8 75 96 A I E +cd 38 116A 0 40,-2.2 42,-2.7 -2,-0.6 2,-0.5 -0.861 57.2 12.6 -98.3 132.0 10.7 42.8 66.1 76 97 A G E + d 0 117A 2 -38,-2.1 42,-0.2 -2,-0.5 2,-0.2 -0.938 58.3 179.2 118.3-128.0 7.2 42.1 64.7 77 98 A G > - 0 0 0 40,-2.7 4,-0.9 -2,-0.5 42,-0.4 -0.472 52.6 -64.8 105.8 177.5 4.0 44.2 65.2 78 99 A W T 4 S+ 0 0 88 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.867 131.2 46.9 -74.3 -39.4 0.5 43.8 63.9 79 100 A N T 4 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.693 104.1 65.3 -74.9 -19.6 1.1 44.3 60.1 80 101 A F T 4 S- 0 0 41 1,-0.1 -1,-0.2 -4,-0.1 -2,-0.2 0.864 88.7-170.9 -67.7 -38.0 4.1 41.8 60.4 81 102 A G < - 0 0 20 -4,-0.9 38,-0.4 -3,-0.3 4,-0.2 -0.269 37.0 -76.0 74.0-162.9 1.7 39.0 61.2 82 103 A T S > S+ 0 0 9 42,-0.4 4,-3.0 36,-0.1 3,-0.4 0.622 101.5 92.9-108.2 -19.8 2.8 35.5 62.4 83 104 A A H > S+ 0 0 25 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.846 89.7 41.9 -51.0 -51.3 4.0 33.9 59.1 84 105 A P H > S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.837 115.9 51.6 -68.6 -30.5 7.7 34.8 59.4 85 106 A F H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.960 109.6 48.9 -65.8 -51.5 7.7 33.9 63.1 86 107 A T H X S+ 0 0 30 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.915 113.8 46.6 -51.3 -48.3 6.2 30.5 62.5 87 108 A A H < S+ 0 0 46 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.867 112.1 51.1 -65.3 -37.9 8.7 29.7 59.7 88 109 A M H < S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.883 114.8 39.8 -70.6 -41.0 11.7 30.9 61.8 89 110 A V H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.662 94.0 88.2 -80.5 -14.2 10.8 28.8 65.0 90 111 A S S < S+ 0 0 66 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.1 0.759 95.7 28.5 -58.5 -32.0 9.8 25.8 62.9 91 112 A T S > S- 0 0 45 -3,-0.5 4,-1.8 -4,-0.4 5,-0.1 -0.967 74.4-128.2-129.4 148.2 13.3 24.3 62.7 92 113 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.846 111.3 57.8 -59.5 -32.9 16.3 24.6 65.1 93 114 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.897 105.9 47.1 -65.0 -43.9 18.4 25.7 62.1 94 115 A N H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 111.5 52.4 -63.7 -37.9 16.2 28.6 61.3 95 116 A R H X S+ 0 0 19 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.918 109.7 47.8 -65.4 -44.4 16.2 29.6 65.0 96 117 A Q H X S+ 0 0 108 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.912 110.5 52.3 -61.0 -45.5 20.0 29.6 65.1 97 118 A T H X S+ 0 0 55 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 113.4 45.2 -54.2 -44.9 20.2 31.6 61.9 98 119 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -53,-0.4 0.948 113.0 47.7 -66.4 -51.3 17.8 34.2 63.6 99 120 A I H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.926 112.0 50.8 -58.7 -48.1 19.6 34.3 66.9 100 121 A T H X S+ 0 0 77 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.936 112.0 47.4 -51.8 -50.4 23.0 34.7 65.2 101 122 A S H X S+ 0 0 14 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.850 110.4 52.9 -62.2 -37.2 21.6 37.6 63.1 102 123 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.933 107.9 49.4 -65.6 -48.5 20.0 39.3 66.1 103 124 A I H X S+ 0 0 31 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.953 115.0 45.0 -53.8 -52.2 23.3 39.3 68.1 104 125 A K H X S+ 0 0 150 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.911 115.1 48.0 -57.0 -46.8 25.1 40.8 65.1 105 126 A F H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 112.8 45.6 -62.9 -51.5 22.4 43.4 64.5 106 127 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.8 0.883 116.1 46.0 -63.6 -41.8 22.0 44.6 68.1 107 128 A R H <5S+ 0 0 64 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.898 112.3 51.4 -67.1 -41.6 25.7 44.9 68.6 108 129 A Q H <5S+ 0 0 112 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.908 119.5 34.2 -61.5 -44.7 26.2 46.7 65.2 109 130 A Y H <5S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.1 -49,-0.2 0.399 113.1-114.4 -99.3 2.0 23.5 49.3 65.9 110 131 A E T <5 + 0 0 132 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.850 57.2 154.0 70.8 43.0 24.1 49.6 69.6 111 132 A F < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.1 -39,-0.2 -0.710 41.8-142.6 -91.6 151.6 20.9 48.3 71.1 112 133 A D S S- 0 0 34 -41,-2.4 46,-2.8 -2,-0.3 2,-0.3 0.426 71.7 -24.6 -94.8 -2.3 20.9 46.7 74.6 113 134 A G E - e 0 158A 0 -42,-0.4 -40,-2.2 44,-0.3 2,-0.4 -0.990 61.5 -90.5 176.5-179.8 18.3 44.0 73.7 114 135 A L E -de 73 159A 0 44,-2.6 46,-2.8 -2,-0.3 2,-0.5 -0.960 20.6-158.1-117.7 136.4 15.5 42.5 71.7 115 136 A D E -de 74 160A 0 -42,-2.8 -40,-2.2 -2,-0.4 2,-0.6 -0.965 17.6-140.4-109.9 115.7 11.7 42.8 72.4 116 137 A F E +de 75 161A 0 44,-2.9 46,-2.9 -2,-0.5 -40,-0.1 -0.694 21.7 178.2 -76.3 119.4 9.6 40.1 70.8 117 138 A D E +d 76 0A 6 -42,-2.7 -40,-2.7 -2,-0.6 2,-0.6 -0.403 17.9 156.1-118.1 52.8 6.4 41.6 69.4 118 139 A W - 0 0 2 44,-0.2 2,-0.6 -42,-0.2 -36,-0.1 -0.725 40.4-136.8 -78.7 115.7 4.9 38.4 67.9 119 140 A E S S- 0 0 20 -2,-0.6 -38,-0.1 -42,-0.4 44,-0.1 -0.815 76.9 -19.4-114.4 88.6 1.1 38.9 67.7 120 141 A Y > - 0 0 31 -2,-0.6 3,-1.8 1,-0.1 6,-0.4 0.701 48.5-145.8-142.7 158.5 0.7 36.1 68.7 121 142 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.425 103.3 12.1 -56.3 133.9 2.1 32.6 69.2 122 143 A G T 3 S+ 0 0 16 5,-0.5 2,-0.3 1,-0.2 3,-0.1 0.437 123.6 62.0 78.9 1.1 -0.7 30.1 68.7 123 144 A S S X S+ 0 0 17 -3,-1.8 3,-1.8 1,-0.1 -1,-0.2 -0.898 76.2 45.6-146.8 175.6 -3.2 32.6 67.2 124 145 A R T 3 S- 0 0 114 1,-0.3 -42,-0.4 -2,-0.3 337,-0.2 0.853 139.5 -36.8 54.3 39.3 -3.8 35.0 64.2 125 146 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 336,-0.1 -5,-0.1 0.054 109.4 126.5 104.6 -23.6 -2.6 32.2 61.9 126 147 A S < - 0 0 7 -3,-1.8 -1,-0.3 -6,-0.4 5,-0.1 -0.554 59.6-124.3 -73.6 124.4 0.1 30.8 64.1 127 148 A P > - 0 0 35 0, 0.0 3,-2.0 0, 0.0 -5,-0.5 -0.190 25.3-101.1 -69.8 160.9 -0.3 27.0 64.7 128 149 A P T > S+ 0 0 109 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.756 116.7 64.6 -55.9 -32.6 -0.6 25.3 68.1 129 150 A Q T 3> S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.678 85.8 75.2 -64.9 -19.8 3.0 24.1 68.2 130 151 A D H <> S+ 0 0 2 -3,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.726 82.1 68.0 -66.9 -25.2 4.2 27.8 68.3 131 152 A K H <> S+ 0 0 65 -3,-1.3 4,-1.1 -4,-0.3 44,-0.4 0.982 111.8 31.0 -54.7 -59.7 3.2 28.1 71.9 132 153 A H H > S+ 0 0 100 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.883 117.0 58.2 -66.9 -39.9 6.0 25.7 73.0 133 154 A L H X S+ 0 0 33 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.795 101.5 56.0 -64.4 -28.7 8.3 26.8 70.2 134 155 A F H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.901 106.5 50.1 -66.0 -42.0 8.2 30.4 71.4 135 156 A T H X S+ 0 0 6 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.920 111.8 48.8 -58.9 -46.0 9.4 29.2 74.8 136 157 A V H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.905 110.8 49.9 -59.7 -46.8 12.2 27.3 73.1 137 158 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 112.4 47.4 -57.9 -48.5 13.2 30.4 71.0 138 159 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.921 113.0 47.4 -62.3 -47.7 13.3 32.6 74.0 139 160 A Q H X S+ 0 0 60 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.940 113.5 48.7 -58.1 -48.7 15.3 30.2 76.1 140 161 A E H X S+ 0 0 65 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.874 113.4 46.8 -61.2 -40.2 17.8 29.7 73.2 141 162 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.936 112.4 50.0 -64.4 -49.6 18.1 33.4 72.7 142 163 A R H X S+ 0 0 38 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.936 114.2 44.4 -54.3 -50.0 18.6 34.1 76.4 143 164 A E H X S+ 0 0 88 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.855 113.0 51.2 -67.6 -35.3 21.3 31.4 76.6 144 165 A A H X S+ 0 0 25 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.905 110.2 50.5 -64.5 -42.2 22.9 32.7 73.4 145 166 A F H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 12,-0.3 0.910 109.3 51.0 -60.1 -44.9 22.9 36.2 74.9 146 167 A E H X S+ 0 0 84 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.900 112.2 46.8 -59.1 -44.0 24.5 34.9 78.1 147 168 A Q H X S+ 0 0 138 -4,-2.0 4,-1.8 1,-0.2 3,-0.2 0.913 111.6 49.8 -65.8 -46.0 27.3 33.1 76.1 148 169 A E H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.882 103.8 59.5 -61.5 -42.8 28.0 36.1 73.9 149 170 A A H X>S+ 0 0 12 -4,-2.2 5,-1.6 1,-0.2 4,-0.8 0.879 109.4 44.0 -53.7 -42.2 28.3 38.5 76.8 150 171 A K H <5S+ 0 0 183 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.861 110.8 53.2 -73.5 -38.0 31.2 36.5 78.3 151 172 A Q H <5S+ 0 0 150 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.867 122.2 29.5 -68.5 -35.4 33.0 36.0 74.9 152 173 A I H <5S- 0 0 69 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.456 104.7-128.0-102.2 -2.7 33.1 39.7 74.2 153 174 A N T <5 + 0 0 147 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.913 64.9 121.5 56.5 50.2 33.2 40.8 77.8 154 175 A K S S- 0 0 29 1,-0.1 4,-2.6 23,-0.1 5,-0.2 -0.564 72.5-138.7 -71.5 127.9 -6.8 38.5 75.8 167 188 A I H > S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.890 102.1 48.1 -58.5 -46.1 -7.3 35.4 77.9 168 189 A S H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 113.2 49.2 -57.3 -46.6 -7.9 33.0 75.0 169 190 A N H > S+ 0 0 53 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.882 111.7 49.3 -60.5 -41.3 -4.8 34.4 73.3 170 191 A I H >X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 3,-0.6 0.940 110.6 49.7 -61.4 -49.7 -2.8 34.0 76.5 171 192 A Q H 3< S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 118.1 37.9 -62.8 -35.3 -3.9 30.3 77.0 172 193 A S H 3< S+ 0 0 47 -4,-1.9 -1,-0.2 -5,-0.2 -41,-0.2 0.546 122.5 44.6 -92.2 -7.1 -3.1 29.3 73.4 173 194 A G H << S+ 0 0 0 -4,-0.8 2,-0.4 -3,-0.6 -2,-0.2 0.755 102.1 48.7-109.5 -30.3 0.1 31.4 73.2 174 195 A Y < - 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0 0 0 -2,-0.3 3,-2.2 5,-0.2 5,-0.4 -0.971 58.8 -77.6-176.8 172.6 -13.1 48.9 70.4 196 217 A S G > S+ 0 0 29 53,-0.4 3,-1.8 1,-0.3 68,-0.1 0.714 112.3 78.1 -60.4 -24.5 -15.6 49.5 67.7 197 218 A W G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 70,-0.0 0.720 88.7 60.9 -53.3 -23.0 -15.4 45.9 66.5 198 219 A E G < S- 0 0 46 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.662 106.8-125.5 -82.3 -19.1 -17.6 45.1 69.5 199 220 A G S < S+ 0 0 35 -3,-1.8 65,-2.0 -4,-0.2 2,-0.3 0.557 80.8 69.2 84.3 8.9 -20.6 47.3 68.4 200 221 A Y B S-J 263 0C 79 -5,-0.4 -5,-0.2 63,-0.3 -2,-0.2 -0.987 90.7 -86.9-151.5 156.7 -20.8 49.3 71.7 201 222 A T + 0 0 1 61,-2.7 60,-1.4 -2,-0.3 2,-0.3 -0.346 53.7 155.6 -63.7 143.5 -18.7 51.9 73.5 202 223 A G - 0 0 2 58,-0.2 2,-0.2 46,-0.1 112,-0.2 -0.964 41.8 -90.1-165.5 159.0 -16.0 50.6 75.9 203 224 A E - 0 0 0 -2,-0.3 -10,-0.1 1,-0.1 112,-0.1 -0.513 19.3-139.4 -85.2 142.1 -12.8 51.7 77.4 204 225 A N S S+ 0 0 0 1,-0.2 -11,-2.5 -2,-0.2 -10,-0.2 0.893 97.4 2.3 -58.5 -45.2 -9.3 51.2 75.8 205 226 A S S S- 0 0 0 110,-0.2 -1,-0.2 -14,-0.2 2,-0.1 -0.455 76.3-178.4-148.7 62.5 -7.7 50.4 79.1 206 227 A P - 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0 0 2 -3,-1.4 -61,-2.7 1,-0.1 -1,-0.3 -0.486 54.9 -96.1 -69.2 139.5 -23.9 52.5 74.3 263 284 A P B -J 200 0C 62 0, 0.0 -10,-2.5 0, 0.0 -9,-0.6 -0.294 43.8-166.5 -59.6 138.9 -24.6 51.2 70.8 264 285 A T E -M 252 0D 13 -65,-2.0 -12,-0.2 -12,-0.3 3,-0.1 -0.917 23.8-153.4-126.3 154.8 -22.1 52.2 68.1 265 286 A S E - 0 0 90 -14,-2.6 2,-0.3 -2,-0.3 -13,-0.1 0.476 69.7 -52.7-104.2 -7.6 -22.2 52.0 64.3 266 287 A G E S-M 251 0D 23 -15,-0.7 -15,-2.6 163,-0.0 -1,-0.3 -0.969 81.0 -27.0 162.4-172.3 -18.5 51.8 63.7 267 288 A A E -M 250 0D 18 -2,-0.3 -17,-0.3 -17,-0.2 3,-0.1 -0.311 62.4-114.6 -64.8 147.7 -15.0 53.3 64.4 268 289 A G - 0 0 0 -19,-1.5 10,-2.1 1,-0.2 11,-0.2 -0.271 48.9 -64.7 -78.3 173.4 -14.7 57.0 65.1 269 290 A P - 0 0 26 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 -0.220 51.7-108.2 -65.2 142.4 -12.9 59.5 62.8 270 291 A A - 0 0 20 5,-0.1 7,-0.2 8,-0.1 10,-0.1 -0.366 41.0-109.7 -59.8 146.2 -9.2 59.3 62.1 271 292 A G > - 0 0 3 8,-0.7 4,-0.9 5,-0.5 -1,-0.1 -0.424 19.6-116.4 -77.9 159.7 -7.3 62.1 63.8 272 293 A P T 4 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -254,-0.1 0.645 110.3 30.6 -72.2 -14.9 -5.6 64.9 61.8 273 294 A Y T 4 S+ 0 0 55 -259,-0.1 7,-0.0 3,-0.1 -255,-0.0 0.822 128.5 31.5-109.0 -54.8 -2.1 63.9 62.8 274 295 A A T 4 S- 0 0 13 -260,-0.1 3,-0.1 2,-0.1 6,-0.1 0.778 84.7-154.9 -76.1 -28.5 -2.0 60.1 63.4 275 296 A K < + 0 0 50 -4,-0.9 2,-0.6 1,-0.2 -5,-0.1 0.821 36.5 153.3 55.3 37.2 -4.6 59.5 60.7 276 297 A E > - 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0 0 1 40,-2.7 4,-0.8 -2,-0.5 42,-0.5 -0.473 53.4 -62.4 103.3-179.8 -3.9 43.2 50.5 456 99 B W T 4 S+ 0 0 100 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.890 131.2 44.9 -75.9 -42.0 -0.4 43.0 51.8 457 100 B N T 4 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.807 104.8 64.9 -71.9 -28.6 -1.0 44.0 55.5 458 101 B F T 4 S- 0 0 43 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.835 90.5-173.4 -59.2 -34.8 -4.1 41.8 55.6 459 102 B G < - 0 0 22 -4,-0.8 38,-0.4 -3,-0.4 4,-0.2 -0.237 36.6 -73.2 70.5-158.9 -1.7 38.8 55.2 460 103 B T S > S+ 0 0 10 42,-0.4 4,-2.7 36,-0.1 3,-0.5 0.683 101.8 90.1-110.4 -25.7 -2.9 35.2 54.7 461 104 B A H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 90.5 44.8 -48.1 -51.9 -4.2 34.1 58.1 462 105 B P H > S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.882 115.3 49.5 -65.4 -34.7 -7.9 35.1 57.7 463 106 B F H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.916 111.0 49.2 -63.9 -46.2 -8.0 33.7 54.2 464 107 B T H X S+ 0 0 29 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.936 113.9 45.6 -57.9 -49.5 -6.5 30.4 55.3 465 108 B A H < S+ 0 0 47 -4,-2.5 4,-0.4 -5,-0.2 3,-0.3 0.888 112.8 51.6 -60.9 -41.7 -8.9 30.1 58.2 466 109 B M H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.879 114.3 39.9 -66.4 -42.0 -11.9 31.1 55.9 467 110 B V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.594 93.2 89.1 -83.3 -10.6 -11.2 28.5 53.2 468 111 B S T 3< S+ 0 0 63 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.1 0.705 95.3 26.5 -62.5 -26.4 -10.3 25.7 55.7 469 112 B T S <> S- 0 0 44 -3,-0.5 4,-1.7 -4,-0.4 3,-0.2 -0.988 73.9-125.4-137.8 146.7 -13.9 24.4 56.0 470 113 B P H > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.868 112.1 59.7 -55.6 -36.2 -17.0 24.5 53.8 471 114 B E H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 105.9 44.9 -57.1 -49.0 -18.8 26.1 56.8 472 115 B N H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.843 112.3 52.3 -67.2 -34.5 -16.5 29.2 56.8 473 116 B R H X S+ 0 0 20 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.893 111.0 46.8 -67.8 -41.9 -16.6 29.5 53.0 474 117 B Q H X S+ 0 0 108 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.921 111.1 51.7 -64.2 -46.7 -20.4 29.5 53.0 475 118 B T H X S+ 0 0 57 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.919 114.8 44.5 -53.1 -46.0 -20.4 32.1 55.9 476 119 B F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -53,-0.4 0.931 112.3 49.5 -65.9 -49.2 -18.1 34.2 53.8 477 120 B I H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.910 110.9 50.1 -58.5 -46.7 -19.9 33.8 50.5 478 121 B T H X S+ 0 0 80 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.910 111.2 49.2 -57.6 -45.3 -23.3 34.7 52.0 479 122 B S H X S+ 0 0 16 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.852 110.3 51.7 -64.1 -36.3 -21.8 37.8 53.6 480 123 B V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.925 107.8 50.0 -67.9 -47.5 -20.2 38.9 50.3 481 124 B I H X S+ 0 0 33 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.951 116.2 43.1 -54.9 -51.3 -23.4 38.6 48.3 482 125 B K H X S+ 0 0 149 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.924 114.8 49.7 -58.9 -49.5 -25.2 40.7 50.9 483 126 B F H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.921 112.3 45.8 -57.6 -51.3 -22.4 43.3 51.3 484 127 B L H X>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 4,-0.7 0.877 115.7 45.6 -65.2 -41.1 -22.0 43.9 47.5 485 128 B R H <5S+ 0 0 72 -4,-2.0 3,-0.2 -5,-0.3 -1,-0.2 0.898 112.9 51.1 -67.8 -41.4 -25.7 44.3 46.9 486 129 B Q H <5S+ 0 0 112 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.906 119.2 34.5 -61.9 -45.2 -26.2 46.5 49.9 487 130 B Y H <5S- 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -49,-0.2 0.407 114.3-114.2 -97.1 1.6 -23.4 48.9 49.0 488 131 B E T <5 + 0 0 137 -4,-0.7 2,-0.3 -3,-0.2 -3,-0.2 0.860 57.2 155.8 71.2 42.4 -24.0 48.6 45.2 489 132 B F < - 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0 0 7 -3,-1.9 -1,-0.3 -6,-0.4 -43,-0.1 -0.595 60.2-123.8 -74.9 126.1 -0.5 30.2 53.7 505 148 B P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 -5,-0.5 -0.143 24.2-100.5 -70.5 164.9 -0.2 26.3 53.7 506 149 B P T > S+ 0 0 109 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.786 116.7 64.5 -56.8 -34.8 0.0 24.1 50.5 507 150 B Q T 3> S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.680 85.9 75.1 -63.9 -17.8 -3.6 23.0 50.7 508 151 B D H <> S+ 0 0 1 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.720 81.6 68.5 -70.0 -22.2 -4.7 26.7 50.0 509 152 B K H <> S+ 0 0 70 -3,-1.4 4,-1.1 -4,-0.3 44,-0.5 0.973 112.2 30.5 -56.3 -55.4 -3.7 26.4 46.4 510 153 B H H > S+ 0 0 100 -4,-0.5 4,-2.2 -3,-0.2 -2,-0.2 0.889 116.9 58.5 -70.3 -41.0 -6.6 24.0 45.7 511 154 B L H X S+ 0 0 31 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.805 101.3 56.1 -62.3 -30.1 -8.8 25.6 48.4 512 155 B F H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.914 107.1 49.2 -64.3 -44.1 -8.6 28.9 46.6 513 156 B T H X S+ 0 0 4 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.923 111.7 49.5 -57.5 -46.9 -9.9 27.3 43.5 514 157 B V H X S+ 0 0 22 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.924 110.3 50.3 -59.1 -48.5 -12.8 25.7 45.5 515 158 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.925 113.3 45.1 -54.0 -50.4 -13.6 29.1 47.1 516 159 B V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.905 113.3 50.0 -65.7 -43.4 -13.8 30.8 43.7 517 160 B Q H X S+ 0 0 61 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.951 112.9 46.7 -56.4 -51.9 -15.8 28.0 42.2 518 161 B E H X S+ 0 0 57 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.855 114.0 48.3 -60.5 -37.7 -18.3 28.1 45.1 519 162 B M H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.930 111.7 48.6 -68.6 -47.1 -18.5 31.9 44.9 520 163 B R H X S+ 0 0 45 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.936 113.6 47.2 -56.2 -49.2 -19.0 31.9 41.1 521 164 B E H X S+ 0 0 79 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.877 112.1 49.7 -62.8 -39.6 -21.8 29.3 41.4 522 165 B A H X S+ 0 0 23 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.874 110.3 50.8 -65.0 -39.7 -23.4 31.2 44.3 523 166 B F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 12,-0.2 0.901 109.1 51.3 -63.4 -43.1 -23.3 34.4 42.2 524 167 B E H X S+ 0 0 68 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.867 112.9 46.3 -59.2 -39.3 -24.9 32.5 39.3 525 168 B Q H X S+ 0 0 96 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.871 110.1 51.2 -74.6 -39.8 -27.7 31.3 41.6 526 169 B E H X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.866 106.0 57.1 -63.8 -37.3 -28.3 34.7 43.2 527 170 B A H X>S+ 0 0 17 -4,-2.1 5,-1.0 1,-0.2 4,-0.9 0.838 107.2 48.7 -60.0 -36.0 -28.7 36.1 39.7 528 171 B K H <5S+ 0 0 161 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.824 110.2 52.3 -71.5 -34.6 -31.4 33.6 39.1 529 172 B Q H <5S+ 0 0 158 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 121.7 27.0 -71.0 -41.0 -33.2 34.5 42.4 530 173 B I H <5S- 0 0 76 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.414 100.9-123.3-107.0 -1.5 -33.4 38.3 41.9 531 174 B N T <5 + 0 0 152 -4,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.886 69.1 120.9 58.0 46.1 -33.4 38.4 38.0 532 175 B K S S- 0 0 29 1,-0.1 4,-2.4 23,-0.1 5,-0.2 -0.598 73.0-138.7 -72.5 130.2 6.7 35.7 40.8 545 188 B I H > S+ 0 0 23 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.901 102.0 49.5 -61.1 -43.9 7.0 32.3 39.2 546 189 B S H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 112.9 47.8 -58.8 -47.1 7.6 30.5 42.5 547 190 B N H > S+ 0 0 45 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.850 112.5 49.6 -61.8 -38.6 4.5 32.2 44.0 548 191 B I H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.934 111.0 49.3 -65.3 -46.8 2.4 31.3 40.9 549 192 B Q H < S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 118.4 37.9 -61.2 -43.7 3.5 27.6 41.0 550 193 B S H < S+ 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -41,-0.2 0.606 122.5 45.5 -82.5 -12.2 2.7 27.2 44.8 551 194 B G H < S+ 0 0 0 -4,-1.0 2,-0.4 -3,-0.3 -2,-0.2 0.799 101.1 48.2-102.7 -33.4 -0.4 29.4 44.6 552 195 B Y < - 0 0 9 -4,-2.1 2,-1.2 -5,-0.1 -1,-0.2 -0.942 45.2-154.5-132.9 133.5 -2.7 28.7 41.7 553 196 B E > - 0 0 46 -44,-0.5 4,-3.2 -2,-0.4 5,-0.3 -0.764 36.0-171.2 -90.8 82.9 -4.4 25.9 39.8 554 197 B I H > S+ 0 0 10 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.847 72.0 45.2 -56.2 -50.6 -4.5 28.1 36.7 555 198 B P H > S+ 0 0 63 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.933 121.0 40.0 -59.8 -44.8 -6.6 26.1 34.2 556 199 B Q H >> S+ 0 0 90 1,-0.2 4,-0.6 2,-0.2 3,-0.6 0.922 117.1 47.7 -70.0 -47.0 -9.3 25.4 36.9 557 200 B L H >X S+ 0 0 1 -4,-3.2 4,-1.6 1,-0.2 3,-1.0 0.884 106.5 57.7 -60.9 -41.3 -9.3 28.8 38.6 558 201 B S H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.728 95.1 66.5 -66.4 -24.7 -9.5 30.7 35.2 559 202 B Q H << S+ 0 0 118 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.863 111.2 33.0 -58.6 -38.8 -12.7 28.9 34.4 560 203 B Y H << S+ 0 0 45 -3,-1.0 2,-0.2 -4,-0.6 -2,-0.2 0.693 99.6 87.7 -99.6 -24.6 -14.6 30.6 37.2 561 204 B L < - 0 0 0 -4,-1.6 -23,-0.2 1,-0.1 3,-0.1 -0.576 60.9-152.8 -78.0 140.8 -12.9 34.0 37.4 562 205 B D S S+ 0 0 26 -25,-3.5 2,-0.3 1,-0.3 -24,-0.2 0.857 81.4 6.8 -77.8 -40.3 -14.2 36.8 35.2 563 206 B Y E -u 538 0E 48 -26,-0.6 -24,-1.4 2,-0.0 2,-0.5 -0.988 63.5-144.3-144.0 151.5 -10.9 38.6 35.0 564 207 B I E -uv 539 617E 0 52,-3.1 54,-3.0 -2,-0.3 2,-1.0 -0.963 12.3-157.5-120.8 109.7 -7.4 37.9 36.1 565 208 B H E -uv 540 618E 2 -26,-3.1 -24,-2.5 -2,-0.5 2,-0.5 -0.759 11.6-155.2 -94.9 96.8 -5.4 40.9 37.3 566 209 B V E -uv 541 619E 0 52,-2.1 2,-2.4 -2,-1.0 54,-0.7 -0.601 12.4-138.8 -81.5 122.1 -1.8 40.0 37.0 567 210 B M + 0 0 20 -26,-2.5 2,-2.5 -2,-0.5 -24,-0.3 -0.382 32.4 170.9 -79.7 62.7 0.5 42.0 39.4 568 211 B T + 0 0 0 -2,-2.4 2,-0.3 -26,-0.1 32,-0.1 -0.396 50.3 71.7 -77.5 63.6 3.2 42.6 36.7 569 212 B Y + 0 0 14 -2,-2.5 14,-0.2 52,-0.1 -26,-0.2 -0.908 61.5 61.9-161.6-178.3 5.1 45.1 38.9 570 213 B D + 0 0 62 -2,-0.3 13,-0.1 2,-0.1 12,-0.1 0.844 64.8 143.9 53.2 35.7 7.3 45.1 42.0 571 214 B L + 0 0 10 11,-2.5 2,-0.3 1,-0.1 11,-0.2 0.689 66.5 21.1 -78.9 -20.8 9.5 42.9 39.9 572 215 B H S S+ 0 0 15 10,-0.2 2,-0.3 8,-0.2 -1,-0.1 -0.966 72.2 155.5-139.8 157.9 12.6 44.5 41.3 573 216 B G > - 0 0 0 -2,-0.3 3,-2.2 5,-0.2 5,-0.5 -0.976 56.9 -81.6-171.2 173.6 13.4 46.4 44.5 574 217 B S G > S+ 0 0 27 53,-0.3 3,-1.6 1,-0.3 68,-0.1 0.705 112.5 77.5 -61.3 -23.0 16.0 47.4 47.1 575 218 B W G 3 S+ 0 0 151 1,-0.3 -1,-0.3 2,-0.1 70,-0.0 0.725 89.6 59.5 -56.7 -21.7 15.6 44.0 48.8 576 219 B E G < S- 0 0 71 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.656 106.6-127.5 -83.3 -19.0 17.7 42.6 46.0 577 220 B G S < S+ 0 0 26 -3,-1.6 65,-2.3 -4,-0.3 2,-0.3 0.537 79.7 75.8 83.3 7.5 20.7 44.9 46.7 578 221 B Y B S-Y 641 0G 134 -5,-0.5 -2,-0.2 63,-0.3 -5,-0.2 -0.980 89.1 -92.5-143.8 154.4 20.9 46.2 43.1 579 222 B T + 0 0 6 61,-2.5 60,-1.5 -2,-0.3 2,-0.3 -0.403 52.9 157.5 -64.9 143.1 19.0 48.7 40.9 580 223 B G - 0 0 1 58,-0.2 112,-0.2 46,-0.1 2,-0.2 -0.967 40.8 -92.4-163.7 158.2 16.2 47.2 38.8 581 224 B E - 0 0 0 -2,-0.3 -10,-0.1 1,-0.1 102,-0.1 -0.494 20.1-139.3 -82.8 145.6 13.0 48.2 37.1 582 225 B N S S+ 0 0 0 1,-0.2 -11,-2.5 -2,-0.2 -10,-0.2 0.934 96.3 4.0 -63.6 -50.2 9.6 48.1 38.7 583 226 B S S S- 0 0 0 -14,-0.2 -1,-0.2 110,-0.2 2,-0.1 -0.489 78.1-178.8-141.3 63.5 7.7 46.9 35.7 584 227 B P - 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0 0 80 9,-0.6 3,-2.0 3,-0.3 -1,-0.3 -0.933 69.5-154.8-140.3 112.5 28.2 54.5 44.4 633 276 B P T 3 S+ 0 0 72 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 0.631 97.9 60.0 -60.6 -15.6 26.7 57.7 42.8 634 277 B S T 3 S+ 0 0 110 1,-0.1 2,-0.7 54,-0.0 54,-0.0 0.603 93.7 70.2 -86.2 -14.6 29.0 57.1 39.8 635 278 B N < + 0 0 72 -3,-2.0 -3,-0.3 1,-0.1 -1,-0.1 -0.885 55.7 148.6-107.2 102.7 27.4 53.7 39.1 636 279 B T + 0 0 24 -2,-0.7 -1,-0.1 -6,-0.1 3,-0.1 0.199 31.8 104.2-124.8 11.7 23.8 54.4 37.8 637 280 B G S > S- 0 0 24 1,-0.2 3,-1.4 2,-0.0 2,-0.3 -0.185 84.5 -66.7 -86.3-177.3 22.9 51.7 35.4 638 281 B I T 3 S+ 0 0 24 1,-0.2 -58,-0.2 -60,-0.1 -1,-0.2 -0.581 124.5 23.9 -70.3 129.0 20.6 48.6 35.7 639 282 B G T 3 S+ 0 0 37 -60,-1.5 -1,-0.2 -2,-0.3 -59,-0.1 0.547 84.8 152.9 89.0 9.6 22.2 46.2 38.3 640 283 B A < - 0 0 2 -3,-1.4 -61,-2.5 1,-0.1 -1,-0.3 -0.465 55.1 -94.3 -67.3 142.0 24.2 48.9 40.0 641 284 B P B -Y 578 0G 49 0, 0.0 -10,-2.4 0, 0.0 -9,-0.6 -0.325 45.5-167.0 -63.0 137.3 25.0 48.1 43.7 642 285 B T E -B 630 0H 14 -65,-2.3 -12,-0.2 -12,-0.3 3,-0.1 -0.891 23.5-154.6-124.7 157.9 22.5 49.6 46.3 643 286 B S E - 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