==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-MAY-12 4ASY . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.S.ALPHEY,L.PIRRIE,L.S.TORRIE,M.GARDINER,A.SARKAR,R.BRENK, . 1171 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 10.0 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 91 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 6 2 2 6 9 7 5 3 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 8 8 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 . 5 4 1 8 5 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 0 3 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 0 119 0, 0.0 2,-0.2 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 141.3 26.6 16.1 12.3 2 2 A K - 0 0 127 1,-0.0 101,-1.7 46,-0.0 2,-0.5 -0.536 360.0-147.2 -81.4 139.5 27.1 12.4 12.7 3 3 A R E -a 103 0A 10 -2,-0.2 46,-0.4 99,-0.2 47,-0.4 -0.924 10.4-159.4-108.7 127.5 24.8 10.4 14.9 4 4 A K E -a 104 0A 23 99,-2.5 101,-1.1 -2,-0.5 2,-0.3 -0.771 10.1-135.4-104.7 154.4 26.1 7.4 16.8 5 5 A G E -ab 105 51A 0 45,-3.0 47,-2.1 -2,-0.3 2,-0.4 -0.767 12.2-165.7-111.4 145.5 24.0 4.5 18.2 6 6 A I E -ab 106 52A 0 99,-2.1 101,-2.1 -2,-0.3 2,-0.5 -0.999 3.1-163.3-126.0 137.4 24.1 2.7 21.5 7 7 A I E -ab 107 53A 0 45,-2.9 47,-2.6 -2,-0.4 2,-0.8 -0.971 6.9-159.8-117.2 115.5 22.4 -0.6 22.3 8 8 A L E +ab 108 54A 5 99,-1.9 101,-2.9 -2,-0.5 2,-0.6 -0.862 14.6 174.5 -95.0 108.7 22.0 -1.3 25.9 9 9 A A E + b 0 55A 0 45,-3.0 47,-0.6 -2,-0.8 50,-0.1 -0.700 21.5 172.4-107.4 72.5 21.5 -5.1 26.4 10 10 A G - 0 0 14 -2,-0.6 16,-0.3 45,-0.2 78,-0.0 -0.041 35.0 -75.1 -73.5-179.1 21.6 -5.0 30.2 11 11 A G - 0 0 42 1,-0.1 -1,-0.2 14,-0.1 3,-0.1 -0.186 14.6-149.7 -71.3 164.2 20.8 -8.0 32.5 12 12 A S > - 0 0 16 1,-0.4 3,-1.6 8,-0.1 2,-0.2 0.263 40.1-147.2-102.8 2.6 17.4 -9.5 33.4 13 13 A G T 3 - 0 0 56 1,-0.2 -1,-0.4 2,-0.1 3,-0.2 -0.513 58.0 -41.1 67.9-134.8 19.0 -10.4 36.7 14 14 A T T > S+ 0 0 78 -2,-0.2 3,-1.4 1,-0.1 -1,-0.2 0.228 110.6 110.9-101.9 9.5 17.5 -13.7 38.0 15 15 A R T < S+ 0 0 147 -3,-1.6 851,-0.3 1,-0.3 -2,-0.1 0.807 83.1 33.7 -57.8 -38.5 14.0 -12.6 36.9 16 16 A L T >> S+ 0 0 8 -3,-0.2 4,-0.9 -4,-0.1 3,-0.8 0.241 96.6 160.7-105.9 10.6 13.6 -15.1 34.1 17 17 A H T <4 + 0 0 39 -3,-1.4 850,-0.4 1,-0.3 -3,-0.1 -0.471 53.3 29.8 -68.3 148.4 15.6 -18.0 35.7 18 18 A P T >4 S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.999 122.2 54.2 -83.5 -5.3 15.7 -21.0 35.2 19 19 A A T <4 S+ 0 0 1 -3,-0.8 3,-0.3 600,-0.6 -2,-0.2 0.841 117.3 37.6 -58.6 -38.4 14.9 -20.3 31.6 20 20 A T T 3< S+ 0 0 9 -4,-0.9 -1,-0.3 1,-0.2 -3,-0.2 0.202 85.8 102.9 -98.7 13.2 17.8 -17.9 31.2 21 21 A L S < S+ 0 0 71 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.863 92.6 33.2 -60.1 -39.5 20.3 -19.8 33.4 22 22 A A S S+ 0 0 11 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.2 0.667 132.8 22.0 -91.7 -22.4 22.2 -21.1 30.3 23 23 A I S S- 0 0 7 -4,-0.2 -1,-0.3 591,-0.1 5,-0.1 -0.975 82.3-115.0-151.4 133.5 21.6 -18.1 28.0 24 24 A S >> - 0 0 17 -2,-0.3 3,-2.2 -3,-0.1 4,-0.5 -0.357 30.9-112.0 -74.3 148.9 20.8 -14.5 28.7 25 25 A K G >4 S+ 0 0 7 1,-0.3 3,-1.7 2,-0.2 10,-0.2 0.833 114.5 51.2 -47.8 -48.5 17.5 -12.9 27.6 26 26 A Q G 34 S+ 0 0 6 1,-0.3 10,-0.7 -16,-0.3 -1,-0.3 0.570 106.2 56.1 -75.5 -9.0 19.0 -10.6 25.0 27 27 A L G <4 S+ 0 0 2 -3,-2.2 -1,-0.3 8,-0.1 582,-0.2 0.449 87.6 101.5 -94.5 -2.8 20.9 -13.5 23.4 28 28 A L S << S- 0 0 4 -3,-1.7 7,-3.1 -4,-0.5 2,-0.3 -0.337 77.7-112.9 -70.0 159.4 17.7 -15.5 22.9 29 29 A P E -I 34 0B 19 0, 0.0 2,-0.6 0, 0.0 207,-0.1 -0.686 10.7-141.7 -86.8 152.4 16.1 -15.6 19.5 30 30 A V E > S-I 33 0B 2 3,-3.1 3,-1.0 -2,-0.3 2,-1.0 -0.959 74.0 -54.0-110.1 107.5 12.8 -14.0 18.7 31 31 A Y T 3 S- 0 0 31 -2,-0.6 205,-0.1 1,-0.2 4,-0.1 -0.519 129.7 -1.8 57.3 -95.5 11.3 -16.6 16.3 32 32 A D T 3 S+ 0 0 3 -2,-1.0 574,-0.6 204,-0.1 -1,-0.2 0.341 127.0 41.3-110.7 2.1 14.0 -16.9 13.6 33 33 A K E < S-I 30 0B 0 -3,-1.0 -3,-3.1 572,-0.1 573,-0.1 -0.971 91.5 -78.0-149.8 159.2 16.8 -14.5 14.6 34 34 A P E > -I 29 0B 1 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.304 41.1-120.5 -61.9 143.1 18.6 -13.2 17.6 35 35 A M T > S+ 0 0 0 -7,-3.1 3,-1.7 1,-0.3 -8,-0.1 0.868 111.0 59.3 -49.1 -43.0 16.7 -10.7 19.8 36 36 A I T 3> S+ 0 0 0 -10,-0.7 4,-2.2 1,-0.3 -1,-0.3 0.728 87.9 74.3 -66.7 -22.9 19.4 -8.0 19.3 37 37 A Y H <> S+ 0 0 5 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.820 92.5 57.2 -54.6 -33.3 18.9 -8.1 15.5 38 38 A Y H <> S+ 0 0 3 -3,-1.7 4,-1.8 -4,-0.5 -2,-0.2 0.973 111.6 36.0 -70.2 -58.1 15.6 -6.2 16.0 39 39 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.817 116.7 56.3 -62.2 -33.5 16.9 -3.1 17.8 40 40 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.954 107.3 48.2 -58.6 -47.5 20.1 -3.2 15.7 41 41 A S H X S+ 0 0 6 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.887 107.7 56.2 -63.2 -37.5 17.9 -3.0 12.6 42 42 A T H X S+ 0 0 6 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.929 108.8 45.7 -59.5 -45.8 16.0 -0.1 14.1 43 43 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 -1,-0.2 0.875 112.5 52.5 -63.6 -37.6 19.3 1.8 14.5 44 44 A M H ><5S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.937 107.7 49.7 -65.3 -46.0 20.3 0.9 11.0 45 45 A L H 3<5S+ 0 0 44 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.810 103.7 61.4 -61.7 -29.4 17.0 2.1 9.5 46 46 A A T 3<5S- 0 0 10 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.506 125.2-104.0 -75.7 -2.5 17.5 5.4 11.5 47 47 A G T < 5S+ 0 0 30 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.428 74.2 143.3 99.9 3.2 20.7 5.9 9.4 48 48 A I < + 0 0 1 -5,-2.3 -1,-0.3 -6,-0.2 -44,-0.1 -0.582 16.9 160.2 -91.1 135.3 23.1 4.9 12.2 49 49 A R + 0 0 106 -46,-0.4 27,-2.7 -2,-0.3 2,-0.7 0.580 60.6 70.7-123.6 -27.5 26.3 2.9 11.3 50 50 A E E + c 0 76A 68 -47,-0.4 -45,-3.0 25,-0.2 2,-0.4 -0.911 67.4 169.4 -99.3 117.2 28.6 3.4 14.3 51 51 A I E -bc 5 77A 0 25,-2.1 27,-1.9 -2,-0.7 2,-0.5 -0.984 28.5-152.5-139.4 134.2 27.1 1.5 17.2 52 52 A L E -bc 6 78A 6 -47,-2.1 -45,-2.9 -2,-0.4 2,-0.7 -0.952 11.8-155.4-108.4 118.4 28.3 0.6 20.7 53 53 A I E -bc 7 79A 0 25,-2.4 27,-1.6 -2,-0.5 2,-0.5 -0.870 12.7-170.5 -95.5 117.2 26.7 -2.6 22.2 54 54 A I E +bc 8 80A 0 -47,-2.6 -45,-3.0 -2,-0.7 2,-0.2 -0.936 19.6 143.4-106.7 125.2 26.9 -2.5 26.0 55 55 A S E -bc 9 81A 0 25,-1.4 27,-2.1 -2,-0.5 -45,-0.2 -0.833 50.4 -58.3-144.1-171.0 26.0 -5.6 28.0 56 56 A T > - 0 0 18 -47,-0.6 4,-2.2 -2,-0.2 -1,-0.2 -0.055 55.3-101.4 -62.1 168.3 26.9 -7.5 31.2 57 57 A P T 4 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 27,-0.0 0.906 123.5 43.2 -56.3 -39.9 30.5 -8.8 31.8 58 58 A Q T 4 S+ 0 0 109 1,-0.2 4,-0.5 2,-0.1 23,-0.0 0.843 118.8 41.0 -77.4 -37.0 29.4 -12.3 30.8 59 59 A D T > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.802 95.6 73.7 -87.7 -33.4 27.3 -11.4 27.7 60 60 A T H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 98.3 49.4 -50.0 -48.3 29.4 -8.7 26.0 61 61 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.886 110.7 51.9 -58.2 -35.4 31.9 -11.2 24.8 62 62 A R H > S+ 0 0 66 -4,-0.5 4,-2.1 -3,-0.4 -2,-0.2 0.885 108.9 48.5 -69.6 -38.4 29.0 -13.4 23.5 63 63 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.4 0.891 109.1 56.2 -63.6 -36.9 27.5 -10.4 21.6 64 64 A Q H X S+ 0 0 103 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.897 108.4 45.1 -63.8 -40.3 31.0 -9.8 20.2 65 65 A Q H < S+ 0 0 154 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.0 48.5 -68.8 -42.5 31.2 -13.3 18.8 66 66 A L H < S+ 0 0 20 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.901 129.5 19.1 -59.5 -43.2 27.7 -13.2 17.3 67 67 A L H >< S- 0 0 16 -4,-2.4 3,-0.8 1,-0.2 -3,-0.2 0.758 83.7-171.7-108.7 -31.4 28.2 -9.8 15.7 68 68 A G T 3< - 0 0 30 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.1 -0.325 62.4 -34.0 68.2-148.2 31.9 -9.0 15.3 69 69 A D T 3 S- 0 0 96 7,-0.1 8,-2.4 -2,-0.1 -1,-0.2 0.457 78.6-121.6 -89.0 -4.8 33.2 -5.6 14.2 70 70 A G S X >S+ 0 0 4 -3,-0.8 5,-3.3 6,-0.2 3,-1.5 0.347 77.8 122.0 87.4 -5.2 30.2 -5.1 11.8 71 71 A S G > 5 + 0 0 65 1,-0.3 3,-1.0 3,-0.2 -3,-0.1 0.791 67.3 63.3 -65.7 -28.1 32.2 -4.7 8.7 72 72 A N G 3 5S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 199,-0.1 0.759 112.0 36.2 -63.9 -27.3 30.4 -7.6 7.0 73 73 A W G < 5S- 0 0 21 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.157 122.3-102.3-109.7 15.2 27.1 -5.6 7.2 74 74 A G T < 5S+ 0 0 13 -3,-1.0 -3,-0.2 1,-0.3 2,-0.2 0.712 85.5 123.1 73.5 19.1 28.7 -2.2 6.5 75 75 A L < - 0 0 10 -5,-3.3 2,-0.4 -25,-0.0 -1,-0.3 -0.568 59.4-138.7-104.0 172.9 28.6 -1.3 10.2 76 76 A D E -c 50 0A 70 -27,-2.7 -25,-2.1 -2,-0.2 2,-0.4 -0.902 29.4-175.3-134.5 99.7 31.2 -0.3 12.7 77 77 A L E +c 51 0A 8 -8,-2.4 2,-0.3 -2,-0.4 -25,-0.2 -0.819 8.2 175.8-103.5 139.9 30.5 -2.0 16.0 78 78 A Q E -c 52 0A 86 -27,-1.9 -25,-2.4 -2,-0.4 2,-0.3 -0.814 15.7-138.9-130.9 172.9 32.3 -1.6 19.3 79 79 A Y E +c 53 0A 41 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.968 21.2 165.1-139.2 148.2 31.7 -3.0 22.8 80 80 A A E -c 54 0A 27 -27,-1.6 -25,-1.4 -2,-0.3 2,-0.3 -0.968 27.9-123.0-152.7 161.1 31.7 -2.1 26.5 81 81 A V E -c 55 0A 60 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.764 3.3-144.4-108.8 151.7 30.4 -3.7 29.7 82 82 A Q - 0 0 11 -27,-2.1 -22,-0.1 -2,-0.3 9,-0.0 -0.934 18.2-162.6-105.5 99.6 28.0 -2.4 32.3 83 83 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -27,-0.0 0.801 73.8 15.8 -56.9 -31.7 29.6 -4.1 35.4 84 84 A S S S- 0 0 53 -3,-0.1 2,-2.4 3,-0.1 3,-0.0 -0.990 85.3-108.7-144.2 146.6 26.4 -3.6 37.5 85 85 A P + 0 0 97 0, 0.0 3,-0.1 0, 0.0 -29,-0.0 -0.376 56.1 151.2 -78.9 70.2 22.8 -2.8 36.5 86 86 A D - 0 0 68 -2,-2.4 111,-2.5 1,-0.3 3,-0.1 0.091 64.9 -66.4 -94.8 20.7 22.9 0.8 37.9 87 87 A G > - 0 0 8 109,-0.3 3,-0.7 1,-0.1 -1,-0.3 -0.109 46.0 -88.6 114.7 160.6 20.3 2.2 35.5 88 88 A L T > S+ 0 0 58 1,-0.2 3,-2.2 2,-0.2 4,-0.2 0.823 115.1 65.0 -71.5 -35.3 19.9 2.9 31.8 89 89 A A T >> S+ 0 0 1 108,-1.8 3,-2.0 1,-0.3 4,-0.5 0.733 82.8 79.1 -66.4 -18.9 21.4 6.4 31.7 90 90 A Q H <> S+ 0 0 36 -3,-0.7 4,-2.6 107,-0.5 -1,-0.3 0.678 72.9 81.2 -58.9 -17.3 24.7 4.9 32.7 91 91 A A H <> S+ 0 0 0 -3,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.817 89.9 52.2 -54.8 -30.9 25.0 4.0 29.0 92 92 A F H <4 S+ 0 0 0 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.798 109.6 45.8 -81.1 -28.9 26.1 7.6 28.5 93 93 A L H >< S+ 0 0 60 -4,-0.5 3,-1.4 -3,-0.3 4,-0.3 0.947 116.6 45.2 -73.0 -49.8 28.9 7.5 31.1 94 94 A I H 3< S+ 0 0 44 -4,-2.6 3,-0.3 1,-0.3 4,-0.2 0.878 121.5 41.0 -58.5 -37.1 30.1 4.1 29.8 95 95 A G T 3X S+ 0 0 0 -4,-1.7 4,-3.1 -5,-0.3 5,-0.3 0.260 79.9 113.1 -97.5 11.4 29.8 5.5 26.2 96 96 A E H <> S+ 0 0 67 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.905 83.4 40.3 -48.9 -52.8 31.2 9.0 26.9 97 97 A S H 4 S+ 0 0 111 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.881 114.9 52.9 -69.9 -35.5 34.4 8.5 24.8 98 98 A F H 4 S+ 0 0 16 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.922 112.4 44.6 -64.0 -42.9 32.5 6.6 22.1 99 99 A I H >< S+ 0 0 3 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.909 83.6 161.7 -67.7 -40.7 30.0 9.4 21.8 100 100 A G T 3< S- 0 0 52 -4,-2.4 -1,-0.2 -5,-0.3 83,-0.1 -0.377 72.8 -24.7 60.1-125.7 32.7 12.1 21.8 101 101 A N T 3 S+ 0 0 131 -2,-0.1 -1,-0.3 -4,-0.1 79,-0.1 0.233 114.4 106.6 -99.6 9.3 31.3 15.4 20.4 102 102 A D S < S- 0 0 46 -3,-2.2 -99,-0.2 1,-0.1 2,-0.1 -0.271 73.9 -99.9 -95.8 171.5 28.6 13.8 18.3 103 103 A L E -a 3 0A 1 -101,-1.7 -99,-2.5 -2,-0.1 2,-0.3 -0.469 46.4-162.6 -78.4 161.5 24.8 13.3 18.4 104 104 A S E -aD 4 178A 0 74,-2.3 74,-2.5 -101,-0.3 2,-0.3 -0.842 21.8-154.8-143.9 172.8 23.5 10.0 19.7 105 105 A A E -aD 5 177A 0 -101,-1.1 -99,-2.1 -2,-0.3 2,-0.4 -0.951 11.0-156.1-150.8 138.2 20.6 7.5 19.9 106 106 A L E +aD 6 176A 0 70,-2.7 70,-3.0 -2,-0.3 2,-0.4 -0.976 11.9 177.9-119.3 133.7 19.9 4.9 22.5 107 107 A V E -aD 7 175A 0 -101,-2.1 -99,-1.9 -2,-0.4 2,-0.2 -0.989 31.1-117.4-131.6 140.9 17.8 1.7 22.0 108 108 A L E > -a 8 0A 24 66,-2.3 3,-1.5 -2,-0.4 -99,-0.2 -0.585 21.7-129.2 -79.3 141.7 17.1 -1.0 24.5 109 109 A G T 3 S+ 0 0 0 -101,-2.9 -100,-0.2 1,-0.3 -71,-0.2 0.580 104.3 49.5 -67.6 -10.2 18.4 -4.5 23.4 110 110 A D T 3 S+ 0 0 30 -102,-0.3 116,-0.6 -72,-0.1 2,-0.5 0.084 83.7 108.1-119.3 20.9 15.1 -6.1 24.0 111 111 A N E < -J 225 0C 4 -3,-1.5 2,-0.5 114,-0.1 114,-0.2 -0.895 47.2-163.0-104.6 130.5 12.7 -3.8 22.2 112 112 A L E -J 224 0C 3 112,-2.3 112,-2.5 -2,-0.5 2,-0.4 -0.936 6.4-172.1-111.2 127.8 11.0 -4.9 18.9 113 113 A Y E +J 223 0C 14 -2,-0.5 2,-0.3 110,-0.2 110,-0.2 -0.943 6.6 172.8-117.7 140.7 9.4 -2.4 16.6 114 114 A Y E +J 222 0C 17 108,-2.4 108,-3.0 -2,-0.4 2,-0.3 -0.998 21.5 92.9-140.9 142.1 7.3 -3.0 13.5 115 115 A G > - 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0 0 102 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.397 32.9 -92.1-101.3 179.8 -20.2 -49.0 9.6 1146 265 D A H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 123.9 52.3 -57.3 -51.9 -17.6 -48.3 6.9 1147 266 D A H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 110.8 49.3 -52.5 -41.8 -20.3 -47.7 4.2 1148 267 D Q H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 110.4 49.0 -67.9 -42.5 -22.0 -45.2 6.5 1149 268 D L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.899 109.0 54.9 -62.4 -39.8 -18.7 -43.3 7.2 1150 269 D E H X S+ 0 0 113 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.915 106.9 49.8 -57.9 -44.5 -18.1 -43.2 3.4 1151 270 D K H < S+ 0 0 154 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 110.4 50.6 -64.5 -37.6 -21.5 -41.6 2.9 1152 271 D L H < S+ 0 0 24 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.846 108.9 51.9 -65.9 -37.6 -20.7 -39.0 5.5 1153 272 D A H >< S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.2 4,-0.4 0.866 91.2 81.7 -64.9 -37.2 -17.3 -38.3 3.9 1154 273 D A G >< S+ 0 0 64 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.806 92.5 40.7 -41.0 -62.0 -18.8 -37.6 0.5 1155 274 D P G 3 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.581 119.2 46.3 -71.9 -9.5 -20.0 -34.0 0.8 1156 275 D L G X S+ 0 0 17 -3,-1.9 3,-2.5 -4,-0.3 6,-1.0 0.258 77.8 116.0-106.5 8.4 -16.9 -32.9 2.7 1157 276 D A T < S+ 0 0 24 -3,-1.6 -1,-0.1 -4,-0.4 -3,-0.1 0.711 71.5 54.2 -55.5 -27.5 -14.6 -34.7 0.3 1158 277 D K T 3 S+ 0 0 173 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.3 0.323 102.7 64.9 -96.1 7.1 -12.9 -31.4 -0.9 1159 278 D N S <> S- 0 0 10 -3,-2.5 4,-1.8 -852,-0.1 3,-0.2 -0.805 94.8-105.7-114.8 171.3 -12.0 -30.2 2.6 1160 279 D G H > S+ 0 0 48 -852,-0.3 4,-1.3 -2,-0.3 5,-0.1 0.722 115.7 59.7 -64.4 -25.4 -9.5 -31.7 5.1 1161 280 D Y H > S+ 0 0 8 -851,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.915 107.2 43.7 -72.1 -45.3 -12.3 -33.0 7.3 1162 281 D G H > S+ 0 0 0 -6,-1.0 4,-2.4 2,-0.2 -5,-0.3 0.917 112.7 52.2 -65.0 -44.9 -13.9 -35.2 4.6 1163 282 D Q H X S+ 0 0 112 -4,-1.8 4,-2.7 -7,-0.5 -1,-0.2 0.863 108.4 53.2 -57.1 -37.5 -10.5 -36.5 3.4 1164 283 D Y H X S+ 0 0 11 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.890 106.8 50.0 -67.5 -41.5 -9.8 -37.4 7.1 1165 284 D L H < S+ 0 0 0 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.921 112.3 49.6 -60.2 -40.5 -13.0 -39.4 7.3 1166 285 D K H >X S+ 0 0 114 -4,-2.4 3,-1.8 1,-0.2 4,-0.6 0.934 107.4 52.6 -63.1 -48.3 -12.0 -41.2 4.1 1167 286 D R H >X S+ 0 0 71 -4,-2.7 4,-1.2 1,-0.3 3,-1.0 0.853 100.0 63.9 -57.9 -35.0 -8.4 -42.0 5.4 1168 287 D L H 3< S+ 0 0 1 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.643 94.5 62.0 -63.1 -16.3 -10.0 -43.5 8.5 1169 288 D L H <4 S+ 0 0 38 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.815 115.0 30.0 -74.0 -31.0 -11.6 -46.2 6.3 1170 289 D T H << S+ 0 0 126 -3,-1.0 2,-0.4 -4,-0.6 -2,-0.2 0.438 105.5 81.4-113.7 -2.8 -8.2 -47.5 5.1 1171 290 D E < - 0 0 32 -4,-1.2 2,-0.6 -416,-0.0 -416,-0.0 -0.867 65.3-139.6-109.4 139.8 -5.9 -46.9 8.1 1172 291 D T - 0 0 63 -2,-0.4 2,-0.5 2,-0.0 -3,-0.1 -0.867 25.0-171.7 -88.3 123.7 -5.4 -48.9 11.2 1173 292 D V 0 0 16 -2,-0.6 -2,-0.0 -5,-0.1 -5,-0.0 -0.983 360.0 360.0-120.5 122.8 -5.1 -46.4 14.2 1174 293 D Y 0 0 105 -2,-0.5 -1,-0.1 -370,-0.1 -369,-0.1 0.654 360.0 360.0 -87.0 360.0 -4.1 -47.8 17.6