==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JAN-10 3L93 . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR J.OSIPIUK,N.MALTSEVA,M.MAKOWSKA-GRZYSKA,K.KWON,W.F.ANDERSON, . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 0.6 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.4 22.8 33.2 64.3 2 0 A A - 0 0 102 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.161 360.0-169.3 -56.1 144.6 20.9 33.7 61.0 3 1 A M - 0 0 128 2,-0.0 2,-0.7 0, 0.0 29,-0.1 -0.950 27.1-125.3-138.2 156.8 21.1 31.2 58.1 4 2 A I - 0 0 143 -2,-0.3 2,-0.5 27,-0.1 27,-0.0 -0.924 30.2-175.9 -99.2 112.2 20.2 30.6 54.5 5 3 A T - 0 0 24 -2,-0.7 28,-1.8 80,-0.0 27,-0.7 -0.975 4.5-167.2-109.5 125.1 18.2 27.5 54.2 6 4 A K E -a 33 0A 50 -2,-0.5 80,-2.1 26,-0.2 81,-1.6 -0.965 10.2-173.6-114.5 119.7 17.3 26.5 50.7 7 5 A A E -ab 34 87A 0 26,-3.1 28,-2.3 -2,-0.5 2,-0.4 -0.810 15.4-151.7-118.0 150.8 14.7 23.9 50.3 8 6 A I E -ab 35 88A 3 79,-2.4 81,-3.1 -2,-0.3 28,-0.2 -0.965 1.8-165.2-116.3 142.5 13.3 22.0 47.3 9 7 A Y E -a 36 0A 11 26,-3.1 28,-2.1 -2,-0.4 2,-0.3 -0.870 21.3-174.5-124.0 93.8 9.8 20.7 47.2 10 8 A P E +a 37 0A 3 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.639 19.2 121.9 -98.5 150.1 9.7 18.2 44.3 11 9 A G E -a 38 0A 20 26,-2.1 28,-3.0 -2,-0.3 -2,-0.0 -0.965 66.6 -97.4-178.4-179.6 6.7 16.3 42.9 12 10 A T - 0 0 30 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.765 41.7-166.4 -86.6 -33.1 4.7 15.7 39.8 13 11 A F > - 0 0 7 1,-0.2 3,-0.7 2,-0.2 44,-0.1 0.907 9.1-176.5 45.6 61.2 2.0 18.2 40.8 14 12 A D T 3 S- 0 0 9 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.713 85.3 -7.6-123.6 76.5 -0.4 17.0 38.1 15 13 A P T 3 S- 0 0 1 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.691 94.5-116.5 -97.4 170.3 -2.2 19.2 38.9 16 14 A I < - 0 0 2 -3,-0.7 2,-0.2 37,-0.2 136,-0.0 -0.395 40.0-159.1 -55.8 131.7 -1.1 21.2 42.0 17 15 A T > - 0 0 3 131,-0.1 4,-2.4 112,-0.1 131,-0.2 -0.599 35.1 -98.3-110.0 172.7 -3.8 20.7 44.8 18 16 A N H > S+ 0 0 23 129,-2.6 4,-2.1 2,-0.2 130,-0.1 0.815 125.3 57.6 -60.5 -31.3 -4.9 22.5 47.9 19 17 A G H > S+ 0 0 8 128,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.933 107.1 44.8 -62.1 -52.1 -2.7 20.0 49.7 20 18 A H H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.899 112.6 53.0 -55.0 -45.0 0.4 20.9 47.8 21 19 A L H X S+ 0 0 44 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 106.7 51.6 -61.8 -43.5 -0.4 24.6 48.3 22 20 A D H X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.940 113.1 46.6 -58.5 -42.6 -0.7 24.1 52.1 23 21 A L H X S+ 0 0 5 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.933 112.9 45.7 -68.3 -47.1 2.7 22.4 52.2 24 22 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.871 111.0 54.9 -65.6 -32.3 4.6 24.9 50.0 25 23 A T H X S+ 0 0 57 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.940 112.1 43.9 -63.9 -45.0 3.0 27.8 52.0 26 24 A R H X S+ 0 0 78 -4,-2.2 4,-1.4 2,-0.2 3,-0.2 0.943 113.3 50.1 -64.8 -44.0 4.4 26.2 55.2 27 25 A A H >X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 3,-0.6 0.936 107.7 55.6 -58.0 -45.2 7.8 25.5 53.7 28 26 A S H 3< S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.0 49.4 -55.0 -38.5 7.8 29.1 52.5 29 27 A A H 3< S+ 0 0 91 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.805 117.1 41.9 -72.2 -25.0 7.3 30.3 56.1 30 28 A M H << S+ 0 0 97 -4,-1.4 2,-0.3 -3,-0.6 -2,-0.2 0.788 109.0 50.7 -94.0 -33.1 10.1 28.1 57.4 31 29 A F S < S- 0 0 30 -4,-2.2 -25,-0.1 -5,-0.1 3,-0.1 -0.769 75.0-123.2-114.4 156.6 13.0 28.3 54.9 32 30 A S S S+ 0 0 51 -27,-0.7 2,-0.3 -2,-0.3 -26,-0.2 0.905 97.5 7.6 -62.1 -41.9 14.8 31.2 53.3 33 31 A H E -a 6 0A 51 -28,-1.8 -26,-3.1 -6,-0.0 2,-0.4 -0.997 65.3-162.9-144.5 138.7 14.1 30.0 49.8 34 32 A V E -ac 7 67A 0 32,-2.9 34,-2.6 -2,-0.3 2,-0.6 -0.993 5.5-158.5-126.4 127.8 11.8 27.2 48.4 35 33 A I E -ac 8 68A 0 -28,-2.3 -26,-3.1 -2,-0.4 2,-0.8 -0.963 10.8-151.2 -98.3 117.0 12.0 25.8 44.9 36 34 A L E -ac 9 69A 0 32,-2.9 34,-2.4 -2,-0.6 2,-0.6 -0.866 24.6-159.2 -85.3 112.5 8.7 24.1 44.0 37 35 A A E -ac 10 70A 0 -28,-2.1 -26,-2.1 -2,-0.8 2,-0.7 -0.863 8.9-156.2-112.4 116.5 10.3 21.5 41.6 38 36 A I E -ac 11 71A 0 32,-2.9 34,-2.4 -2,-0.6 2,-0.2 -0.832 13.4-138.8-103.8 113.4 8.1 19.9 39.0 39 37 A A E - c 0 72A 20 -28,-3.0 34,-0.2 -2,-0.7 32,-0.0 -0.488 9.0-138.3 -71.3 129.7 9.3 16.5 37.8 40 38 A D - 0 0 54 32,-2.9 -1,-0.1 -2,-0.2 33,-0.1 0.947 31.2-176.6 -49.2 -50.8 8.8 16.0 34.0 41 39 A S > + 0 0 21 31,-0.2 3,-1.9 1,-0.1 4,-0.3 0.855 10.2 168.6 60.1 39.6 7.7 12.5 35.0 42 40 A S G > S+ 0 0 87 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.870 71.0 55.6 -53.8 -44.6 7.3 11.4 31.3 43 41 A S G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.596 101.0 61.0 -67.3 -13.3 6.9 7.7 32.0 44 42 A K G < S- 0 0 140 -3,-1.9 -1,-0.3 -4,-0.0 -2,-0.2 0.512 99.9-139.2 -84.4 -3.8 4.0 8.6 34.3 45 43 A K < - 0 0 185 -3,-2.1 -3,-0.1 -4,-0.3 -2,-0.1 0.952 25.1-148.2 37.7 72.1 2.1 10.2 31.3 46 44 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.223 16.8-126.1 -65.1 153.2 0.8 13.2 33.2 47 45 A M S S+ 0 0 39 -33,-0.2 2,-0.4 1,-0.1 -2,-0.0 0.915 97.9 46.8 -59.8 -43.4 -2.6 14.8 32.4 48 46 A F S S- 0 0 4 1,-0.1 -1,-0.1 2,-0.0 5,-0.0 -0.814 91.3-116.1-104.4 139.7 -0.9 18.2 32.1 49 47 A T > - 0 0 79 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.244 36.1-103.7 -62.7 162.0 2.3 18.9 30.1 50 48 A L H > S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.940 123.0 52.8 -53.1 -46.7 5.3 20.1 32.2 51 49 A D H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 109.2 48.3 -58.2 -43.0 4.8 23.7 30.9 52 50 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 111.9 49.6 -64.1 -38.0 1.1 23.7 31.9 53 51 A R H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 111.1 49.4 -71.1 -37.2 2.0 22.3 35.4 54 52 A V H X S+ 0 0 20 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.929 111.3 49.8 -61.8 -45.5 4.7 25.0 35.8 55 53 A A H X S+ 0 0 48 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.909 112.0 47.4 -61.0 -46.2 2.2 27.7 34.8 56 54 A L H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.904 111.7 49.4 -64.2 -43.3 -0.4 26.5 37.2 57 55 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.857 109.5 53.5 -64.8 -35.7 2.1 26.2 40.1 58 56 A K H X S+ 0 0 120 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.890 107.6 51.6 -62.7 -41.1 3.2 29.8 39.3 59 57 A K H < S+ 0 0 127 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.898 115.2 39.8 -62.7 -42.5 -0.3 31.1 39.5 60 58 A V H < S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.765 119.0 45.0 -85.6 -19.9 -1.0 29.6 42.9 61 59 A T H >< S+ 0 0 7 -4,-2.0 3,-2.2 -5,-0.2 6,-0.2 0.447 80.5 107.5 -97.0 2.8 2.4 30.3 44.4 62 60 A A T 3< S+ 0 0 77 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.865 76.1 53.5 -45.8 -45.0 2.5 34.0 43.1 63 61 A P T 3 S+ 0 0 105 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.693 87.8 89.2 -71.6 -9.7 1.9 35.5 46.6 64 62 A L X - 0 0 30 -3,-2.2 3,-1.6 1,-0.2 -3,-0.0 -0.737 62.8-164.1 -92.2 106.9 4.8 33.5 48.2 65 63 A K T 3 S+ 0 0 209 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.743 83.2 46.3 -61.3 -36.4 7.8 35.8 47.8 66 64 A N T 3 S+ 0 0 40 -35,-0.1 -32,-2.9 -33,-0.1 2,-0.4 0.103 92.4 98.1-100.4 21.3 10.5 33.3 48.5 67 65 A V E < -c 34 0A 20 -3,-1.6 2,-0.4 -6,-0.2 -32,-0.2 -0.931 47.7-173.7-112.9 137.1 9.1 30.5 46.3 68 66 A E E -c 35 0A 77 -34,-2.6 -32,-2.9 -2,-0.4 2,-0.5 -0.973 15.9-141.9-125.4 137.8 10.4 29.8 42.7 69 67 A V E +c 36 0A 12 -2,-0.4 2,-0.4 -34,-0.2 -32,-0.2 -0.885 26.5 171.1-104.0 127.8 8.8 27.2 40.4 70 68 A L E -c 37 0A 47 -34,-2.4 -32,-2.9 -2,-0.5 2,-0.3 -0.999 26.4-137.7-139.0 139.4 11.1 25.1 38.1 71 69 A G E +c 38 0A 34 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.660 30.3 173.6 -89.0 145.9 10.6 22.1 35.8 72 70 A F E -c 39 0A 13 -34,-2.4 -32,-2.9 -2,-0.3 -31,-0.2 -0.996 30.2-171.8-149.0 158.8 13.2 19.4 35.9 73 71 A S + 0 0 90 -2,-0.3 3,-0.1 -34,-0.2 -1,-0.1 0.406 63.2 85.2-128.1 -0.2 13.9 15.9 34.6 74 72 A E S S- 0 0 80 1,-0.2 2,-0.1 2,-0.1 -34,-0.1 -0.182 96.6 -59.2 -83.3-173.3 17.0 14.7 36.4 75 73 A L > - 0 0 104 1,-0.1 4,-2.5 -36,-0.0 3,-0.2 -0.471 46.7-124.3 -61.1 138.7 17.1 13.0 39.8 76 74 A M H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.856 112.4 54.7 -52.4 -39.0 15.7 15.2 42.6 77 75 A A H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 108.9 46.2 -63.4 -43.8 19.0 14.8 44.5 78 76 A E H > S+ 0 0 92 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.877 111.1 53.8 -67.1 -33.7 21.0 16.1 41.5 79 77 A F H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.948 108.9 48.3 -63.7 -45.6 18.5 18.9 41.1 80 78 A A H <>S+ 0 0 1 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.945 112.3 48.6 -60.8 -45.9 19.0 19.9 44.7 81 79 A K H ><5S+ 0 0 123 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.934 109.2 53.6 -60.4 -43.0 22.8 19.8 44.3 82 80 A K H 3<5S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.889 114.9 40.3 -57.5 -42.6 22.6 21.9 41.2 83 81 A H T 3<5S- 0 0 35 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.252 111.8-117.0 -92.4 13.2 20.5 24.6 43.0 84 82 A N T < 5 + 0 0 129 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.878 56.4 162.4 54.7 39.9 22.6 24.4 46.2 85 83 A A < - 0 0 8 -5,-2.4 -78,-0.2 -6,-0.2 -1,-0.2 -0.707 25.9-174.4 -90.7 142.6 19.5 23.2 48.3 86 84 A N + 0 0 61 -80,-2.1 30,-2.7 -2,-0.3 2,-0.4 0.435 67.0 58.2-111.6 -4.9 20.2 21.6 51.6 87 85 A I E -bd 7 116A 20 -81,-1.6 -79,-2.4 28,-0.2 2,-0.5 -0.987 58.8-162.1-131.1 133.3 16.7 20.6 52.5 88 86 A L E -bd 8 117A 3 28,-3.2 30,-3.1 -2,-0.4 2,-0.5 -0.982 16.1-156.2-114.5 120.0 14.3 18.3 50.6 89 87 A V E + d 0 118A 0 -81,-3.1 2,-0.3 -2,-0.5 30,-0.2 -0.844 16.2 173.1 -99.5 131.1 10.6 18.8 51.7 90 88 A R E - d 0 119A 34 28,-2.3 30,-2.2 -2,-0.5 2,-0.3 -0.976 26.5-124.1-134.8 151.6 8.1 16.0 51.2 91 89 A G E - d 0 120A 16 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.667 11.9-160.6 -92.2 146.6 4.5 15.5 52.3 92 90 A L + 0 0 30 28,-2.2 3,-0.1 -2,-0.3 35,-0.0 -0.915 18.6 165.9-124.5 103.2 3.2 12.5 54.3 93 91 A R - 0 0 102 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.747 65.2 -21.2 -89.0 -25.7 -0.6 12.3 54.0 94 92 A S S > S- 0 0 65 34,-0.0 4,-1.0 1,-0.0 3,-0.3 -0.928 78.3 -72.9-168.2-176.4 -0.9 8.7 55.4 95 93 A V H > S+ 0 0 127 1,-0.2 4,-1.2 -2,-0.2 3,-0.2 0.819 122.1 57.5 -65.2 -37.4 0.8 5.4 56.3 96 94 A S H > S+ 0 0 94 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.874 105.5 53.2 -61.8 -39.2 1.0 4.2 52.6 97 95 A D H > S+ 0 0 27 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.817 100.0 64.1 -60.3 -37.7 3.0 7.4 51.9 98 96 A F H X S+ 0 0 123 -4,-1.0 4,-2.5 1,-0.2 5,-0.2 0.908 95.8 55.3 -59.5 -46.3 5.5 6.6 54.7 99 97 A E H X S+ 0 0 113 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.929 112.3 41.8 -51.4 -56.5 6.9 3.4 53.2 100 98 A Y H X S+ 0 0 114 -4,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.827 113.3 52.1 -64.7 -38.7 7.9 5.0 49.9 101 99 A E H X S+ 0 0 16 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.857 107.8 53.2 -67.9 -35.6 9.3 8.2 51.6 102 100 A W H X S+ 0 0 139 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.925 112.0 44.4 -62.0 -47.0 11.4 6.1 53.9 103 101 A Q H X S+ 0 0 92 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.950 117.2 45.7 -61.6 -52.1 12.9 4.2 50.9 104 102 A L H X S+ 0 0 22 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.904 110.6 52.4 -60.5 -45.0 13.3 7.4 48.9 105 103 A A H X S+ 0 0 6 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.881 111.6 47.9 -59.4 -40.2 14.9 9.3 51.9 106 104 A N H X S+ 0 0 75 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.905 111.3 49.4 -67.6 -42.3 17.4 6.5 52.3 107 105 A M H X S+ 0 0 102 -4,-2.5 4,-2.4 1,-0.2 3,-0.2 0.937 111.5 49.9 -57.0 -47.6 18.2 6.4 48.6 108 106 A N H X S+ 0 0 5 -4,-3.0 4,-2.9 1,-0.2 7,-0.2 0.791 103.2 59.2 -67.5 -28.6 18.7 10.2 48.7 109 107 A R H < S+ 0 0 122 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.881 110.0 45.2 -64.2 -40.5 21.0 10.0 51.8 110 108 A H H < S+ 0 0 142 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.926 116.7 43.6 -64.3 -48.2 23.3 7.8 49.7 111 109 A L H < S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.869 135.2 12.0 -69.7 -39.0 23.1 10.0 46.6 112 110 A M >< - 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0 0 9 0, 0.0 5,-0.1 0, 0.0 -103,-0.1 -0.192 37.0 -84.6 -60.7 158.9 -0.9 18.5 55.5 123 121 A S >> - 0 0 47 1,-0.1 3,-2.5 -104,-0.1 4,-1.2 -0.368 40.5-110.8 -60.2 146.5 -3.8 20.0 57.5 124 122 A E T 34 S+ 0 0 158 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.766 115.9 70.7 -49.3 -28.2 -6.7 17.6 58.1 125 123 A K T 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 -106,-0.1 0.823 115.5 19.9 -53.6 -33.6 -8.7 19.7 55.6 126 124 A W T X4 S+ 0 0 53 -3,-2.5 3,-1.8 1,-0.1 -107,-0.2 0.500 92.3 101.9-121.9 -7.5 -6.6 18.4 52.7 127 125 A S T 3< S+ 0 0 40 -4,-1.2 -3,-0.1 1,-0.3 -2,-0.1 0.714 83.2 50.2 -63.9 -29.5 -5.0 15.2 53.8 128 126 A F T 3 S+ 0 0 134 -4,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.406 85.3 116.0 -83.7 -1.3 -7.3 12.8 52.0 129 127 A I < + 0 0 6 -3,-1.8 2,-0.4 4,-0.1 -112,-0.1 -0.604 40.9 179.5 -82.8 129.7 -6.9 14.7 48.8 130 128 A S >> - 0 0 34 -2,-0.4 4,-2.4 1,-0.1 3,-0.8 -0.993 31.4-138.4-135.1 118.8 -5.3 12.8 46.0 131 129 A S H 3> S+ 0 0 24 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.839 104.8 54.1 -42.5 -41.0 -4.6 14.2 42.5 132 130 A S H 3> S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.870 109.5 42.8 -71.0 -39.3 -5.7 10.9 41.0 133 131 A L H <> S+ 0 0 109 -3,-0.8 4,-3.0 2,-0.2 -1,-0.2 0.885 113.2 52.7 -74.5 -37.4 -9.1 10.7 42.7 134 132 A V H X S+ 0 0 8 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.929 110.3 49.1 -58.0 -44.5 -9.8 14.3 42.0 135 133 A K H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.906 110.8 50.6 -63.5 -38.4 -9.0 13.7 38.3 136 134 A E H X S+ 0 0 82 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.938 111.8 47.0 -66.0 -42.5 -11.3 10.7 38.4 137 135 A V H ><>S+ 0 0 53 -4,-3.0 5,-2.2 1,-0.2 3,-1.1 0.939 111.5 51.0 -64.3 -43.7 -14.1 12.8 39.9 138 136 A A H ><5S+ 0 0 6 -4,-2.8 3,-2.3 1,-0.3 -1,-0.2 0.868 99.0 65.0 -61.2 -39.7 -13.6 15.6 37.4 139 137 A R H 3<5S+ 0 0 129 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.805 107.1 43.9 -51.0 -33.8 -13.8 13.2 34.4 140 138 A H T <<5S- 0 0 144 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.194 121.7-105.3 -98.4 15.4 -17.4 12.5 35.4 141 139 A G T < 5 + 0 0 68 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.622 66.0 155.7 71.2 13.6 -18.3 16.2 36.0 142 140 A G < - 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