==== Secondary Structure Definition by the program DSSP, CMBI version 3.0 ==== DATE=2017-11-25 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAY-14 4QBU . COMPND MOL_ID: 1; MOLECULE: ZMAA; CHAIN: A; FRAGMENT: ACYL TRANSFERASE DOMAIN . SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: BACILLUS CEREUS; ORGANISM_TAXID: 1396; . AUTHOR D.H.DYER,B.M.KEVANY,M.G.THOMAS,K.T.FOREST . 436 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19961.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 0 0.0 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 . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 0 1 0 5 2 0 1 0 1 1 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 CHAIN AUTHCHAIN 1 5 A T 0 0 110 0, 0.0 429,-3.1 0, 0.0 427,-0.0 0.000 360.0 360.0 360.0 -38.7 -2.1 17.0 34.8 A A 2 6 A S + 0 0 81 427,-0.2 430,-0.1 2,-0.1 38,-0.1 0.655 360.0 101.4 -74.9 -12.2 -3.0 15.0 37.9 A A 3 7 A N - 0 0 131 1,-0.1 427,-0.3 428,-0.0 2,-0.2 -0.216 64.0-159.6 -55.3 158.2 -3.4 12.3 35.2 A A 4 8 A S - 0 0 42 1,-0.1 4,-0.1 425,-0.1 -1,-0.1 -0.779 24.0 -67.0-138.3-178.6 -0.5 9.9 35.1 A A 5 9 A R - 0 0 28 -2,-0.2 -1,-0.1 2,-0.2 35,-0.0 -0.302 44.4-118.3 -68.2 158.1 1.4 7.4 32.9 A A 6 10 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.655 100.1 51.4 -78.0 -12.7 -0.5 4.2 32.0 A A 7 11 A Y S S- 0 0 45 53,-0.0 2,-0.4 2,-0.0 55,-0.2 -0.962 71.2-162.4-121.4 144.0 2.3 2.1 33.8 A A 8 12 A Q E -A 61 0A 14 53,-2.8 53,-2.6 -2,-0.3 2,-0.5 -0.962 8.4-147.5-127.0 137.7 3.5 2.6 37.3 A A 9 13 A M E -A 60 0A 1 -2,-0.4 2,-0.5 51,-0.2 51,-0.2 -0.907 9.3-153.2-104.9 133.7 6.7 1.4 38.9 A A 10 14 A L E -A 59 0A 2 49,-2.4 49,-1.6 -2,-0.5 2,-0.4 -0.941 12.9-166.7-106.4 125.5 6.6 0.6 42.7 A A 11 15 A M E +A 58 0A 4 -2,-0.5 2,-0.4 32,-0.2 47,-0.2 -0.901 10.4 173.2-112.8 134.4 10.1 1.0 44.4 A A 12 16 A I E +A 57 0A 9 45,-2.5 45,-2.9 -2,-0.4 2,-0.3 -0.997 3.6 174.7-138.5 139.1 10.8 -0.3 47.9 A A 13 17 A S E +A 56 0A 15 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.981 2.2 166.8-142.6 160.3 14.2 -0.4 49.6 A A 14 18 A A E -A 55 0A 7 41,-2.2 41,-2.3 -2,-0.3 -2,-0.0 -0.975 47.0-104.7-161.5 172.2 15.6 -1.3 53.1 A A 15 19 A K S S+ 0 0 142 -2,-0.3 2,-0.3 39,-0.2 41,-0.1 0.599 104.1 23.6 -85.0 -13.1 18.8 -2.1 55.0 A A 16 20 A S S > S- 0 0 48 39,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.975 77.1-118.5-142.7 162.6 18.0 -5.9 55.1 A A 17 21 A K H > S+ 0 0 59 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.868 113.9 57.7 -68.7 -35.2 16.1 -8.3 53.1 A A 18 22 A D H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 109.6 42.9 -61.3 -45.3 13.9 -9.1 56.1 A A 19 23 A A H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 113.3 53.8 -65.2 -38.4 12.8 -5.5 56.5 A A 20 24 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.923 109.5 47.4 -60.6 -47.0 12.3 -5.2 52.7 A A 21 25 A D H X S+ 0 0 33 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.895 111.1 50.5 -67.2 -38.0 10.1 -8.2 52.6 A A 22 26 A R H X S+ 0 0 155 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.925 112.5 48.1 -62.7 -42.3 8.0 -7.0 55.6 A A 23 27 A M H X S+ 0 0 71 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.876 109.6 52.6 -66.2 -35.1 7.6 -3.6 53.9 A A 24 28 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.919 112.3 44.2 -64.9 -45.7 6.6 -5.2 50.6 A A 25 29 A L H X S+ 0 0 71 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.899 112.0 53.5 -68.7 -42.6 3.9 -7.3 52.4 A A 26 30 A N H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.891 109.6 48.4 -58.3 -42.7 2.7 -4.2 54.4 A A 27 31 A L H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.928 110.5 50.9 -65.7 -43.8 2.3 -2.2 51.2 A A 28 32 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.914 112.3 46.6 -55.6 -46.8 0.4 -5.0 49.4 A A 29 33 A N H X S+ 0 0 67 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.883 110.1 53.7 -64.7 -40.5 -2.0 -5.3 52.4 A A 30 34 A H H X S+ 0 0 38 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.934 110.7 45.8 -63.1 -43.5 -2.5 -1.5 52.5 A A 31 35 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.841 113.0 50.3 -67.4 -34.2 -3.4 -1.4 48.8 A A 32 36 A E H < S+ 0 0 109 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 112.2 48.2 -69.0 -35.1 -5.8 -4.3 49.2 A A 33 37 A Q H < S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.725 123.2 31.5 -80.0 -22.9 -7.4 -2.6 52.3 A A 34 38 A N S >< S+ 0 0 73 -4,-1.5 3,-2.2 -5,-0.2 -1,-0.3 -0.634 73.3 173.0-130.5 72.0 -7.9 0.7 50.5 A A 35 39 A P T 3 S+ 0 0 75 0, 0.0 29,-0.2 0, 0.0 30,-0.1 0.545 75.1 58.7 -69.0 -12.8 -8.4 -0.4 46.8 A A 36 40 A H T 3 S+ 0 0 181 2,-0.1 3,-0.1 28,-0.1 -5,-0.1 0.324 72.7 131.1 -94.8 1.9 -9.2 3.2 45.7 A A 37 41 A V S < S- 0 0 29 -3,-2.2 2,-0.7 -6,-0.2 27,-0.1 -0.216 74.9-100.7 -45.4 147.8 -5.8 4.7 46.9 A A 38 42 A N > - 0 0 74 1,-0.2 4,-2.0 2,-0.1 -1,-0.1 -0.685 34.2-158.2 -82.5 114.2 -4.3 6.8 44.0 A A 39 43 A L H > S+ 0 0 20 -2,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.858 89.0 52.8 -65.8 -39.6 -1.7 4.4 42.5 A A 40 44 A A H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 109.8 48.9 -63.3 -39.6 0.3 7.2 40.8 A A 41 45 A D H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 393,-0.4 0.876 110.9 50.9 -65.5 -36.2 0.5 9.1 44.1 A A 42 46 A A H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.949 111.0 48.0 -64.7 -45.5 1.6 5.9 45.9 A A 43 47 A S H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -32,-0.2 0.945 113.8 47.8 -58.3 -46.6 4.3 5.3 43.2 A A 44 48 A Y H >X S+ 0 0 48 -4,-2.7 4,-3.2 1,-0.2 3,-1.1 0.914 108.5 53.9 -62.4 -43.7 5.5 9.0 43.6 A A 45 49 A T H 3< S+ 0 0 4 -4,-2.6 -1,-0.2 387,-0.3 -2,-0.2 0.878 107.7 50.9 -60.6 -35.5 5.5 8.7 47.4 A A 46 50 A L H 3< S+ 0 0 20 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.681 123.7 28.8 -75.4 -15.5 7.8 5.7 47.2 A A 47 51 A Q H X< S+ 0 0 4 -3,-1.1 3,-1.9 -4,-0.8 -2,-0.2 0.817 89.5 94.8-107.9 -51.4 10.2 7.5 44.9 A A 48 52 A I T 3< S- 0 0 28 -4,-3.2 373,-0.0 1,-0.3 -1,-0.0 -0.284 109.8 -18.4 -70.9 126.3 10.3 11.3 45.3 A A 49 53 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.568 98.6 153.4 64.7 11.4 13.1 12.6 47.6 A A 50 54 A R < - 0 0 103 -3,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.517 49.6-120.2 -83.5 139.1 13.5 9.1 49.1 A A 51 55 A K - 0 0 163 -2,-0.2 2,-0.5 -38,-0.1 -38,-0.1 -0.459 30.3-141.3 -61.0 138.3 16.6 7.6 50.7 A A 52 56 A E - 0 0 57 -2,-0.1 2,-0.2 -40,-0.0 4,-0.1 -0.956 16.2-161.4-111.1 122.7 17.6 4.5 48.7 A A 53 57 A F - 0 0 65 -2,-0.5 -38,-0.1 2,-0.2 31,-0.1 -0.471 30.0-104.2-100.3 175.9 18.9 1.6 50.7 A A 54 58 A K S S+ 0 0 80 -2,-0.2 30,-3.0 -41,-0.1 2,-0.6 0.752 102.1 68.9 -79.6 -26.9 20.9 -1.4 49.5 A A 55 59 A H E S-AB 14 83A 22 -41,-2.3 -41,-2.2 28,-0.2 2,-0.4 -0.849 74.8-177.6 -92.9 119.3 18.2 -4.1 49.4 A A 56 60 A R E +AB 13 82A 7 26,-2.9 26,-2.1 -2,-0.6 2,-0.3 -0.953 21.0 179.7-127.6 141.0 15.9 -3.1 46.6 A A 57 61 A R E +AB 12 81A 2 -45,-2.9 -45,-2.5 -2,-0.4 2,-0.3 -0.992 11.0 167.8-132.8 140.9 12.7 -4.4 45.1 A A 58 62 A A E +AB 11 80A 0 22,-1.9 22,-3.0 -2,-0.3 2,-0.3 -0.995 5.5 176.9-152.2 153.4 10.7 -2.9 42.2 A A 59 63 A L E -A 10 0A 2 -49,-1.6 -49,-2.4 -2,-0.3 2,-0.4 -0.967 23.9-125.5-150.4 162.6 7.9 -3.9 39.9 A A 60 64 A V E +A 9 0A 5 18,-0.3 2,-0.3 -2,-0.3 -51,-0.2 -0.940 32.5 165.5-111.9 135.8 5.7 -2.6 37.1 A A 61 65 A C E -A 8 0A 0 -53,-2.6 -53,-2.8 -2,-0.4 3,-0.1 -0.961 32.7-157.9-140.3 164.8 1.9 -2.5 37.2 A A 62 66 A S S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.344 82.5 28.0-120.9 4.4 -0.9 -0.9 35.4 A A 63 67 A S S > S- 0 0 51 -55,-0.1 4,-1.9 1,-0.1 -1,-0.2 -0.975 79.2-113.5-155.0 158.6 -3.6 -1.2 38.1 A A 64 68 A T H > S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.904 117.9 55.9 -59.7 -42.2 -3.7 -1.4 41.9 A A 65 69 A Q H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 106.6 49.1 -60.0 -39.8 -5.0 -5.0 41.6 A A 66 70 A E H > S+ 0 0 36 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.861 111.6 49.5 -65.8 -37.2 -1.9 -6.0 39.5 A A 67 71 A G H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.905 109.7 52.0 -67.5 -43.4 0.4 -4.3 42.1 A A 68 72 A I H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.934 106.8 53.0 -57.2 -45.7 -1.4 -6.2 44.9 A A 69 73 A E H < S+ 0 0 92 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.876 115.0 41.6 -60.7 -38.4 -0.9 -9.6 43.2 A A 70 74 A Q H >< S+ 0 0 6 -4,-1.6 3,-1.3 1,-0.2 6,-0.3 0.903 112.2 51.6 -75.0 -44.9 2.8 -8.9 42.9 A A 71 75 A L H 3< S+ 0 0 1 -4,-2.8 -43,-0.2 1,-0.3 -2,-0.2 0.805 101.8 62.7 -63.5 -28.7 3.4 -7.4 46.3 A A 72 76 A N T 3< S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.640 107.0 46.2 -74.0 -12.7 1.7 -10.4 47.9 A A 73 77 A Q S X S+ 0 0 133 -3,-1.3 3,-2.6 -4,-0.2 -1,-0.3 -0.647 72.5 176.8-122.6 72.8 4.4 -12.6 46.5 A A 74 78 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.817 81.0 42.3 -54.6 -29.4 7.6 -10.7 47.3 A A 75 79 A D T 3 S+ 0 0 104 -4,-0.0 6,-0.1 3,-0.0 -4,-0.1 0.261 84.9 125.6-102.8 13.5 10.0 -13.3 45.9 A A 76 80 A G S X S- 0 0 12 -3,-2.6 3,-1.0 -6,-0.3 -3,-0.0 -0.296 71.3-119.3 -64.3 154.4 7.9 -14.0 42.8 A A 77 81 A R T 3 S+ 0 0 240 1,-0.2 -1,-0.1 3,-0.0 4,-0.1 0.611 107.4 71.2 -84.1 -3.5 9.8 -13.7 39.5 A A 78 82 A R T 3 S+ 0 0 131 -8,-0.1 -18,-0.3 2,-0.1 2,-0.3 0.765 94.2 70.3 -68.0 -27.8 7.5 -10.9 38.2 A A 79 83 A V S < S- 0 0 12 -3,-1.0 2,-0.4 -6,-0.2 -20,-0.2 -0.675 83.1-131.8 -96.2 141.3 9.2 -8.7 40.8 A A 80 84 A Q E +B 58 0A 51 -22,-3.0 -22,-1.9 -2,-0.3 2,-0.3 -0.766 28.0 174.1 -95.3 140.9 12.8 -7.5 40.7 A A 81 85 A Y E +B 57 0A 81 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.990 5.0 156.4-142.2 143.2 15.1 -7.8 43.7 A A 82 86 A A E -B 56 0A 23 -26,-2.1 -26,-2.9 -2,-0.3 2,-0.7 -0.985 37.4-130.9-157.9 158.5 18.8 -7.2 44.3 A A 83 87 A N E -B 55 0A 50 -2,-0.3 2,-0.4 -28,-0.2 -28,-0.2 -0.952 35.7-135.4-107.3 108.2 21.2 -6.4 47.1 A A 84 88 A V + 0 0 10 -30,-3.0 3,-0.1 -2,-0.7 333,-0.1 -0.541 34.2 167.0 -68.2 121.4 23.3 -3.5 45.7 A A 85 89 A K S S+ 0 0 171 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.698 73.2 50.2-103.5 -32.0 27.0 -4.0 46.4 A A 86 90 A E - 0 0 83 330,-0.3 -1,-0.2 1,-0.1 0, 0.0 -0.916 66.6-173.9-107.5 109.7 28.2 -1.2 44.0 A A 87 91 A E S S+ 0 0 103 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.737 80.7 36.9 -78.9 -17.6 26.3 2.0 44.8 A A 88 92 A H S S- 0 0 158 330,-0.1 -1,-0.3 2,-0.0 330,-0.1 -0.548 83.1-174.9-129.9 66.8 27.7 4.1 42.0 A A 89 93 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 272,-0.1 -0.296 31.2-108.7 -67.0 152.8 28.0 1.7 39.1 A A 90 94 A K - 0 0 86 91,-0.1 272,-3.0 92,-0.1 2,-0.5 -0.629 34.4-150.1 -75.8 131.7 29.5 2.7 35.8 A A 91 95 A I E -c 362 0B 20 -2,-0.4 91,-3.2 89,-0.3 92,-1.2 -0.928 12.3-169.5-108.2 127.3 26.8 3.0 33.2 A A 92 96 A H E -cd 363 183B 3 270,-3.1 272,-2.8 -2,-0.5 2,-0.5 -0.937 13.9-143.9-116.3 128.4 27.6 2.2 29.5 A A 93 97 A F E -cd 364 184B 0 90,-1.6 92,-2.1 -2,-0.5 2,-0.6 -0.810 12.2-160.5 -87.3 133.5 25.2 2.9 26.6 A A 94 98 A L E -cd 365 185B 0 270,-3.1 272,-3.3 -2,-0.5 2,-0.6 -0.955 9.6-148.8-114.2 112.6 25.4 0.3 23.8 A A 95 99 A F E -cd 366 186B 0 90,-2.8 92,-2.7 -2,-0.6 95,-0.3 -0.746 14.6-128.5 -90.2 122.5 24.0 1.6 20.5 A A 96 100 A S - 0 0 6 270,-2.2 3,-0.1 -2,-0.6 273,-0.1 -0.290 18.9-130.9 -65.1 149.4 22.5 -1.0 18.3 A A 97 101 A G > - 0 0 7 1,-0.2 3,-0.5 92,-0.1 91,-0.1 -0.160 40.4 -66.6 -86.1-178.5 23.5 -1.3 14.6 A A 98 102 A N T 3 S+ 0 0 42 1,-0.2 -1,-0.2 89,-0.1 91,-0.1 -0.407 99.2 65.6 -63.9 151.0 21.2 -1.5 11.5 A A 99 103 A G T 3 S+ 0 0 40 -3,-0.1 -1,-0.2 -2,-0.1 270,-0.1 0.113 82.9 65.6 130.6 -18.1 18.9 -4.3 11.0 A A 100 104 A S < + 0 0 53 -3,-0.5 296,-0.3 268,-0.3 269,-0.1 0.326 67.8 125.1-114.3 7.4 16.3 -4.5 13.7 A A 101 105 A Q + 0 0 34 267,-0.1 2,-0.3 52,-0.1 58,-0.0 -0.266 33.6 176.3 -67.8 150.4 14.3 -1.3 12.8 A A 102 106 A Y > - 0 0 19 57,-0.1 3,-1.8 37,-0.0 -2,-0.0 -0.993 37.4 -84.6-152.9 155.1 10.6 -1.4 12.2 A A 103 107 A V T 3 S+ 0 0 16 -2,-0.3 36,-0.1 1,-0.3 37,-0.1 -0.362 113.1 13.6 -59.1 137.9 7.7 0.8 11.5 A A 104 108 A N T > S+ 0 0 36 35,-2.9 3,-2.2 1,-0.2 -1,-0.3 0.526 82.1 160.0 68.8 13.2 6.1 2.2 14.7 A A 105 109 A M T < S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.3 290,-0.0 -0.462 73.9 12.0 -62.7 132.8 9.0 1.2 16.9 A A 106 110 A G T >> S+ 0 0 1 -2,-0.1 4,-2.4 -3,-0.1 3,-0.7 0.516 84.7 141.6 79.5 6.6 8.8 3.4 20.0 A A 107 111 A L H <> + 0 0 48 -3,-2.2 4,-2.5 1,-0.3 5,-0.2 0.877 69.7 49.8 -51.1 -43.3 5.3 4.6 19.2 A A 108 112 A E H 3> S+ 0 0 38 -4,-0.2 4,-2.4 1,-0.2 5,-0.3 0.880 111.0 51.2 -67.8 -30.1 4.0 4.5 22.8 A A 109 113 A L H <> S+ 0 0 4 -3,-0.7 4,-2.6 2,-0.2 8,-0.4 0.915 109.7 49.6 -70.8 -38.0 7.1 6.5 23.8 A A 110 114 A Y H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 116.6 43.2 -61.6 -41.6 6.4 9.1 21.1 A A 111 115 A E H < S+ 0 0 114 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.890 126.8 27.1 -70.7 -37.0 2.8 9.3 22.3 A A 112 116 A Q H < S+ 0 0 83 -4,-2.4 2,-0.7 -5,-0.2 -3,-0.2 0.795 104.5 70.1-102.2 -35.2 3.5 9.4 26.0 A A 113 117 A E X - 0 0 8 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 -0.798 52.0-164.9-105.5 113.4 6.9 10.9 26.8 A A 114 118 A A H > S+ 0 0 13 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.846 90.5 53.3 -59.2 -39.2 7.6 14.5 26.2 A A 115 119 A I H > S+ 0 0 29 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 114.1 42.1 -64.1 -44.7 11.3 14.2 26.3 A A 116 120 A F H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.918 114.3 50.8 -65.1 -47.6 11.4 11.5 23.7 A A 117 121 A R H X S+ 0 0 80 -4,-3.0 4,-2.9 -8,-0.4 5,-0.2 0.902 109.5 50.9 -60.4 -39.3 8.8 13.2 21.5 A A 118 122 A E H X S+ 0 0 126 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.895 110.8 47.9 -67.7 -40.7 10.7 16.5 21.5 A A 119 123 A A H X S+ 0 0 9 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.929 114.3 47.1 -65.2 -43.0 14.0 14.8 20.6 A A 120 124 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.920 110.6 51.1 -64.3 -43.4 12.3 12.9 17.7 A A 121 125 A D H X S+ 0 0 63 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.847 108.1 53.6 -65.6 -33.0 10.4 16.0 16.4 A A 122 126 A E H X S+ 0 0 103 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.941 110.7 46.3 -63.7 -46.5 13.8 17.9 16.4 A A 123 127 A C H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.925 112.1 50.5 -59.3 -44.1 15.3 15.2 14.3 A A 124 128 A F H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 11,-0.3 0.893 110.6 50.3 -65.0 -37.5 12.2 15.1 11.9 A A 125 129 A A H X S+ 0 0 63 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.938 111.6 46.7 -65.1 -44.5 12.4 18.9 11.5 A A 126 130 A I H X S+ 0 0 27 -4,-2.4 4,-1.4 1,-0.2 5,-0.2 0.941 113.0 49.2 -65.4 -43.2 16.1 18.8 10.6 A A 127 131 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 6,-0.5 0.919 111.2 49.7 -60.5 -46.5 15.6 15.9 8.2 A A 128 132 A Q H X S+ 0 0 83 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.893 106.0 58.1 -59.4 -37.1 12.7 17.6 6.4 A A 129 133 A S H < S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.844 120.2 24.3 -66.0 -35.1 14.7 20.8 6.1 A A 130 134 A F H < S+ 0 0 58 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.693 131.7 36.4-105.8 -15.4 17.6 19.3 4.1 A A 131 135 A T H < S- 0 0 30 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.595 89.0-137.7-104.1 -17.1 16.0 16.2 2.5 A A 132 136 A N < + 0 0 135 -4,-1.7 2,-0.4 -5,-0.4 -4,-0.2 0.663 66.4 119.1 62.1 21.1 12.5 17.6 1.8 A A 133 137 A V - 0 0 51 -6,-0.5 2,-1.1 3,-0.0 -1,-0.2 -0.950 66.8-133.3-117.9 135.5 11.1 14.3 2.9 A A 134 138 A N > + 0 0 51 -2,-0.4 3,-0.6 1,-0.2 4,-0.3 -0.721 24.9 179.6 -83.7 99.1 8.7 13.9 5.8 A A 135 139 A M T >> S+ 0 0 5 -2,-1.1 4,-2.1 -11,-0.3 3,-1.1 0.732 71.8 72.2 -80.6 -15.7 10.3 10.9 7.6 A A 136 140 A K H 3> S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.860 90.6 61.2 -59.5 -35.5 7.7 10.9 10.4 A A 137 141 A E H <4 S+ 0 0 68 -3,-0.6 7,-0.3 1,-0.2 -1,-0.2 0.692 108.5 43.5 -63.4 -25.5 5.2 9.5 7.8 A A 138 142 A V H <4 S+ 0 0 3 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.869 121.5 36.2 -84.8 -48.3 7.5 6.5 7.4 A A 139 143 A L H < S+ 0 0 0 -4,-2.1 -35,-2.9 1,-0.2 -2,-0.2 0.922 137.4 18.7 -71.2 -44.1 8.3 5.8 11.2 A A 140 144 A Y S < S- 0 0 4 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.693 87.9-156.5-127.7 72.5 4.9 6.7 12.6 A A 141 145 A P + 0 0 22 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.316 29.6 158.8 -63.0 131.8 2.6 6.6 9.6 A A 142 146 A T S S+ 0 0 116 -5,-0.1 -5,-0.1 3,-0.1 3,-0.1 0.312 86.4 22.8-127.5 -9.2 -0.6 8.7 9.9 A A 143 147 A T S S+ 0 0 119 -6,-0.2 2,-0.1 2,-0.1 -6,-0.0 0.565 113.6 69.3-123.2 -30.4 -1.4 8.9 6.2 A A 144 148 A F S S- 0 0 66 -7,-0.3 2,-0.2 1,-0.1 3,-0.0 -0.500 86.1-112.4 -80.8 155.9 0.5 5.9 4.7 A A 145 149 A S > - 0 0 44 -2,-0.1 4,-2.1 1,-0.1 3,-0.3 -0.508 31.0-111.2 -72.2 158.0 -0.7 2.3 5.4 A A 146 150 A I H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.903 120.4 61.5 -55.1 -40.9 1.7 0.3 7.5 A A 147 151 A N H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 107.8 41.2 -48.6 -48.0 2.3 -1.7 4.3 A A 148 152 A E H > S+ 0 0 90 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.854 113.2 52.2 -75.6 -39.3 3.6 1.4 2.4 A A 149 153 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.907 107.9 53.5 -60.7 -43.3 5.7 2.7 5.4 A A 150 154 A T H X S+ 0 0 66 -4,-2.8 4,-0.5 2,-0.2 -2,-0.2 0.878 108.4 48.8 -59.5 -41.3 7.3 -0.8 5.7 A A 151 155 A E H >< S+ 0 0 148 -4,-1.5 3,-1.0 -5,-0.2 4,-0.4 0.936 112.8 47.6 -64.0 -44.6 8.4 -0.7 2.1 A A 152 156 A K H >< S+ 0 0 45 -4,-2.2 3,-1.0 1,-0.3 7,-0.2 0.811 104.2 60.8 -68.2 -32.6 9.8 2.8 2.4 A A 153 157 A L H 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.636 93.1 67.2 -66.7 -17.0 11.7 1.9 5.6 A A 154 158 A K T << S+ 0 0 173 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 0.732 79.5 93.0 -74.5 -22.8 13.6 -0.7 3.6 A A 155 159 A R S X> S- 0 0 120 -3,-1.0 4,-3.0 -4,-0.4 3,-1.3 -0.590 77.1-139.2 -71.3 132.4 15.3 2.1 1.6 A A 156 160 A M H 3> S+ 0 0 62 -2,-0.3 4,-1.8 1,-0.3 59,-0.2 0.740 99.5 62.7 -65.3 -29.1 18.7 2.9 3.3 A A 157 161 A E H 34 S+ 0 0 60 57,-0.3 -1,-0.3 1,-0.2 58,-0.2 0.648 117.4 33.1 -73.8 -13.6 18.4 6.7 2.9 A A 158 162 A F H <> S+ 0 0 20 -3,-1.3 4,-2.2 -6,-0.2 -2,-0.2 0.774 118.0 50.1 -96.8 -50.5 15.3 6.4 5.1 A A 159 163 A S H X S+ 0 0 12 -4,-3.0 4,-2.3 -7,-0.2 5,-0.2 0.851 109.0 51.8 -63.8 -36.9 16.2 3.5 7.5 A A 160 164 A Q H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.981 114.6 39.2 -68.9 -49.2 19.6 4.9 8.5 A A 161 165 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.893 116.0 53.5 -71.5 -28.9 18.5 8.4 9.5 A A 162 166 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 111.1 44.2 -64.8 -43.9 15.3 6.9 11.1 A A 163 167 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.902 113.5 52.5 -63.9 -44.9 17.3 4.5 13.3 A A 164 168 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.957 111.8 45.3 -54.4 -51.3 19.8 7.2 14.1 A A 165 169 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.917 113.2 50.3 -61.5 -43.0 17.0 9.5 15.2 A A 166 170 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.938 112.7 45.0 -61.5 -45.6 15.2 6.8 17.2 A A 167 171 A E H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.904 112.2 52.9 -68.6 -40.3 18.4 5.8 19.1 A A 168 172 A Y H X S+ 0 0 22 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.936 111.1 47.0 -54.9 -46.6 19.3 9.4 19.7 A A 169 173 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.875 109.7 51.9 -67.6 -40.0 15.8 10.0 21.2 A A 170 174 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.938 112.3 47.9 -57.2 -48.8 15.9 6.8 23.4 A A 171 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.904 110.9 49.9 -61.9 -41.3 19.2 8.0 24.7 A A 172 176 A K H X S+ 0 0 74 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.851 108.2 54.7 -66.5 -31.8 17.9 11.6 25.4 A A 173 177 A L H X S+ 0 0 1 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.967 112.3 42.1 -62.7 -49.3 14.9 10.1 27.2 A A 174 178 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.0 0.933 116.3 48.2 -64.7 -45.3 17.1 8.1 29.6 A A 175 179 A M H ><5S+ 0 0 28 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.856 106.9 56.9 -63.1 -34.8 19.5 11.0 30.0 A A 176 180 A G H 3<5S+ 0 0 23 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.687 104.9 53.1 -70.8 -15.7 16.6 13.4 30.6 A A 177 181 A W T <<5S- 0 0 2 -3,-1.0 244,-3.0 -4,-1.0 -1,-0.3 0.124 128.9 -99.7 -99.2 15.4 15.6 11.0 33.5 A A 178 182 A G T < 5S+ 0 0 27 -3,-1.9 2,-1.0 242,-0.2 -3,-0.2 0.583 83.2 132.2 84.5 7.9 19.2 11.3 35.0 A A 179 183 A I < + 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.856 35.2 175.8 -97.4 101.6 20.5 8.0 33.5 A A 180 184 A K - 0 0 121 -2,-1.0 2,-0.3 -3,-0.1 -89,-0.3 -0.871 28.1-120.0-116.0 140.6 23.8 9.2 32.1 A A 181 185 A P - 0 0 15 0, 0.0 -89,-0.2 0, 0.0 3,-0.1 -0.561 10.1-163.4 -79.6 137.5 26.5 7.2 30.4 A A 182 186 A E S S- 0 0 93 -91,-3.2 2,-0.3 1,-0.3 -90,-0.2 0.747 84.2 -7.4 -79.2 -30.0 30.0 7.1 31.8 A A 183 187 A A E S-d 92 0B 0 -92,-1.2 -90,-1.6 133,-0.1 2,-0.3 -0.957 70.3-147.8-158.2 168.1 31.1 5.7 28.5 A A 184 188 A M E -de 93 318B 0 133,-1.1 135,-2.3 -2,-0.3 2,-0.3 -0.924 9.3-172.5-142.4 161.6 29.6 4.4 25.2 A A 185 189 A I E -d 94 0B 0 -92,-2.1 -90,-2.8 -2,-0.3 2,-0.3 -0.963 11.5-153.2-152.5 143.4 30.1 1.9 22.4 A A 186 190 A G E -d 95 0B 0 133,-0.4 2,-0.9 -2,-0.3 -90,-0.2 -0.883 20.1-127.2-114.4 149.2 28.1 1.3 19.2 A A 187 191 A Y S > S- 0 0 39 -92,-2.7 3,-2.3 -2,-0.3 2,-0.3 -0.895 72.3 -62.7 -91.4 104.8 27.8 -1.8 17.1 A A 188 192 A S T > S+ 0 0 18 -2,-0.9 3,-2.2 1,-0.3 4,-0.3 -0.327 139.1 24.4 60.7-109.1 28.9 -0.7 13.7 A A 189 193 A F T >> S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.3 4,-0.6 0.803 112.2 73.8 -54.7 -30.7 26.4 2.0 12.7 A A 190 194 A G H X> S+ 0 0 0 -3,-2.3 4,-1.9 -95,-0.3 3,-0.6 0.750 78.5 74.9 -57.0 -21.9 25.6 2.6 16.4 A A 191 195 A E H <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.806 87.9 61.6 -60.2 -28.6 29.0 4.4 16.7 A A 192 196 A Y H <> S+ 0 0 1 -3,-2.0 4,-1.7 -4,-0.3 -1,-0.2 0.887 104.7 46.3 -65.5 -36.8 27.4 7.4 14.8 A A 193 197 A V H S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 6,-0.6 0.898 108.9 50.0 -62.2 -37.0 29.6 10.2 18.5 A A 196 200 A C H ><5S+ 0 0 9 -4,-1.7 3,-2.0 3,-0.2 -1,-0.2 0.948 110.6 49.2 -66.1 -44.8 26.7 12.6 18.3 A A 197 201 A L H 3<5S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.7 53.6 -65.0 -26.7 26.0 12.2 22.1 A A 198 202 A A T 3<5S- 0 0 0 -4,-2.0 117,-2.7 -5,-0.2 -1,-0.3 0.375 118.7-118.2 -82.9 -0.8 29.7 12.8 22.8 A A 199 203 A E T < 5S+ 0 0 99 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.744 72.0 138.2 66.3 27.0 29.2 16.0 20.7 A A 200 204 A V S - 0 0 62 -2,-0.3 4,-2.7 108,-0.3 5,-0.2 -0.299 37.7-107.8 -66.1 164.6 26.0 18.4 16.1 A A 203 207 A L H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 121.4 52.3 -61.3 -42.6 22.7 16.7 15.7 A A 204 208 A E H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.939 111.3 44.4 -58.3 -47.8 22.2 18.5 12.4 A A 205 209 A D H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 112.9 52.4 -69.1 -34.0 25.6 17.4 11.0 A A 206 210 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.936 110.3 48.1 -62.6 -45.7 25.1 13.8 12.2 A A 207 211 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.925 112.9 48.0 -64.7 -40.4 21.7 13.6 10.5 A A 208 212 A K H X S+ 0 0 52 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.900 111.9 51.2 -62.2 -41.2 23.3 15.0 7.3 A A 209 213 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.929 110.9 45.6 -63.6 -46.5 26.1 12.6 7.5 A A 210 214 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.871 111.2 53.5 -73.0 -27.2 23.8 9.5 8.0 A A 211 215 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.945 111.9 45.7 -66.4 -42.4 21.5 10.7 5.1 A A 212 216 A K H X S+ 0 0 39 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.922 111.6 51.2 -66.2 -41.7 24.6 10.9 2.8 A A 213 217 A R H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.935 113.3 46.0 -58.0 -51.2 25.9 7.5 4.0 A A 214 218 A G H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -57,-0.3 0.907 111.8 51.2 -59.1 -45.6 22.4 6.0 3.2 A A 215 219 A Q H < S+ 0 0 96 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.915 113.1 44.7 -58.6 -47.6 22.2 7.7 -0.2 A A 216 220 A L H >< S+ 0 0 14 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.918 112.3 51.1 -65.9 -42.7 25.7 6.4 -1.2 A A 217 221 A M H >< S+ 0 0 14 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.772 96.3 71.3 -67.6 -24.1 25.0 2.9 0.1 A A 218 222 A S T 3< S+ 0 0 45 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.646 89.9 61.6 -63.9 -18.7 21.7 2.8 -1.9 A A 219 223 A S T < S+ 0 0 83 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.531 90.7 88.7 -83.3 -5.1 23.7 2.6 -5.1 A A 220 224 A L S < S- 0 0 36 -3,-1.8 3,-0.1 -4,-0.2 75,-0.1 -0.735 80.2-120.8 -98.8 135.8 25.3 -0.8 -4.0 A A 221 225 A P - 0 0 120 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.397 41.4 -97.3 -62.7 152.1 23.8 -4.1 -4.7 A A 222 226 A A - 0 0 101 1,-0.1 44,-0.3 -4,-0.1 2,-0.1 -0.534 45.9-170.7 -68.9 132.4 23.0 -6.1 -1.5 A A 223 227 A G - 0 0 29 -2,-0.2 2,-0.4 42,-0.2 42,-0.2 -0.175 22.6 -95.7 -99.5-153.0 25.8 -8.5 -0.7 A A 224 228 A V E -G 264 0C 8 40,-3.1 40,-1.9 -2,-0.1 2,-0.4 -0.975 19.8-151.8-134.0 144.8 25.8 -11.2 1.9 A A 225 229 A M E -G 263 0C 20 -2,-0.4 61,-2.4 38,-0.2 62,-0.5 -0.930 14.1-166.6-116.0 142.8 27.1 -11.5 5.5 A A 226 230 A L E -GH 262 285C 0 36,-2.7 36,-2.9 -2,-0.4 2,-0.4 -0.989 13.3-143.3-135.1 126.1 28.2 -14.8 7.0 A A 227 231 A S E -GH 261 284C 27 57,-3.5 57,-2.1 -2,-0.4 34,-0.2 -0.720 17.4-173.9 -89.5 134.4 28.8 -15.8 10.6 A A 228 232 A V E -G 260 0C 0 32,-2.9 32,-2.5 -2,-0.4 2,-2.2 -0.991 23.4-137.7-129.9 121.1 31.8 -18.2 11.1 A A 229 233 A P + 0 0 60 0, 0.0 30,-0.2 0, 0.0 53,-0.1 -0.398 69.3 99.3 -83.2 61.7 32.3 -19.5 14.7 A A 230 234 A L S S- 0 0 41 -2,-2.2 -2,-0.2 30,-0.1 30,-0.1 -0.965 77.0 -97.7-134.7 156.7 36.2 -19.2 14.7 A A 231 235 A P >> - 0 0 64 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.255 41.0 -97.7 -73.1 162.2 38.3 -16.5 16.2 A A 232 236 A E H 3> S+ 0 0 29 25,-0.5 4,-2.7 1,-0.2 5,-0.2 0.870 119.4 56.5 -43.2 -51.1 39.8 -13.5 14.2 A A 233 237 A E H 3> S+ 0 0 118 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.851 108.9 47.9 -61.7 -30.5 43.2 -15.1 13.7 A A 234 238 A E H <> S+ 0 0 98 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.920 109.7 50.9 -74.5 -40.8 41.7 -18.1 12.0 A A 235 239 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.897 105.9 57.6 -58.9 -38.7 39.4 -16.0 9.8 A A 236 240 A I H X S+ 0 0 52 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.942 109.6 43.9 -58.3 -45.5 42.5 -14.0 8.7 A A 237 241 A H H X S+ 0 0 109 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.923 114.7 48.8 -66.7 -42.7 44.1 -17.2 7.5 A A 238 242 A L H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.878 113.7 46.3 -63.1 -40.1 40.9 -18.6 5.8 A A 239 243 A I H X S+ 0 0 12 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.900 111.1 52.2 -69.8 -44.5 40.3 -15.3 4.0 A A 240 244 A N H X S+ 0 0 74 -4,-2.6 4,-1.5 -5,-0.3 -2,-0.2 0.949 113.5 43.3 -58.8 -46.3 44.0 -15.0 2.9 A A 241 245 A S H X S+ 0 0 59 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.903 113.6 52.9 -63.8 -42.9 43.9 -18.5 1.4 A A 242 246 A F H X S+ 0 0 2 -4,-2.2 4,-2.8 -5,-0.2 3,-0.4 0.929 106.4 50.6 -59.5 -46.3 40.5 -17.9 -0.2 A A 243 247 A E H < S+ 0 0 74 -4,-2.8 5,-0.3 1,-0.2 -1,-0.2 0.848 112.7 47.7 -64.4 -31.0 41.5 -14.7 -1.9 A A 244 248 A K H < S+ 0 0 184 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.721 117.6 40.8 -80.1 -24.6 44.6 -16.4 -3.4 A A 245 249 A E H < S+ 0 0 131 -4,-1.7 2,-0.2 -3,-0.4 -2,-0.2 0.796 119.3 38.4 -93.9 -30.1 42.7 -19.5 -4.6 A A 246 250 A Y S < S- 0 0 51 -4,-2.8 2,-1.1 -5,-0.2 22,-0.0 -0.710 85.5-115.0-115.5 163.1 39.5 -17.9 -5.9 A A 247 251 A Q S S+ 0 0 195 -2,-0.2 2,-0.3 2,-0.0 -4,-0.1 -0.348 82.5 93.9 -96.6 59.8 39.1 -14.7 -7.8 A A 248 252 A H - 0 0 40 -2,-1.1 2,-0.4 -5,-0.3 -2,-0.2 -0.979 65.8-128.1-145.8 156.0 37.1 -13.0 -5.1 A A 249 253 A T - 0 0 46 -2,-0.3 2,-0.4 2,-0.0 16,-0.4 -0.850 16.5-171.7-107.4 144.3 37.3 -10.7 -2.1 A A 250 254 A I - 0 0 4 -2,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.994 13.8-148.9-128.9 134.1 35.9 -11.5 1.4 A A 251 255 A S E -I 263 0C 8 12,-2.6 12,-2.2 -2,-0.4 2,-1.0 -0.852 17.1-128.8-104.2 140.4 36.0 -8.8 4.1 A A 252 256 A L E +I 262 0C 22 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.792 37.7 174.8 -83.8 106.4 36.3 -9.5 7.8 A A 253 257 A A E + 0 0C 4 8,-1.9 93,-2.9 -2,-1.0 2,-0.4 0.873 54.8 8.9 -87.4 -42.0 33.3 -7.3 8.7 A A 254 258 A V E -Ij 261 346C 6 7,-2.0 7,-2.9 91,-0.2 2,-0.6 -0.996 53.6-150.1-145.0 136.2 32.9 -7.9 12.5 A A 255 259 A V E +I 260 0C 4 91,-2.7 94,-2.5 -2,-0.4 93,-0.4 -0.944 18.3 173.6-106.4 117.7 34.9 -9.5 15.3 A A 256 260 A N - 0 0 13 3,-2.4 3,-0.4 -2,-0.6 4,-0.1 -0.322 53.0 -96.7-116.1 42.7 32.5 -10.9 17.9 A A 257 261 A G S S+ 0 0 25 1,-0.3 -25,-0.5 122,-0.0 -1,-0.2 -0.647 108.8 11.1 85.6-114.2 35.0 -12.7 20.2 A A 258 262 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.472 133.0 49.7 -82.7 3.8 35.1 -16.4 19.4 A A 259 263 A A - 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