==== 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 01-MAY-12 4ASJ . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.S.ALPHEY,L.PIRRIE,L.S.TORRIE,M.GARDINER,N.J.WESTWOOD,D.GRA . 1166 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 798 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 9.8 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 . 86 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.5 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 8 2 4 1 14 5 7 1 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 2 8 6 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 3 6 6 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 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 2 A K 0 0 110 0, 0.0 101,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.5 25.7 15.3 23.7 2 3 A R E -a 102 0A 22 99,-0.2 47,-0.5 44,-0.2 46,-0.4 -0.933 360.0-152.1-121.1 128.5 24.2 12.1 22.4 3 4 A K E -a 103 0A 12 99,-3.0 101,-1.4 -2,-0.4 2,-0.3 -0.719 17.3-143.4 -91.8 146.4 23.7 8.8 24.3 4 5 A G E -ab 104 50A 0 45,-2.6 47,-2.7 -2,-0.3 2,-0.4 -0.861 10.8-164.6-113.6 151.7 23.7 5.5 22.3 5 6 A I E -ab 105 51A 1 99,-2.6 101,-2.8 -2,-0.3 2,-0.5 -0.986 2.3-163.0-132.3 137.1 21.7 2.4 22.8 6 7 A I E -ab 106 52A 0 45,-2.5 47,-2.9 -2,-0.4 2,-0.8 -0.992 11.0-149.3-122.6 123.2 22.4 -1.1 21.2 7 8 A L E +ab 107 53A 13 99,-2.0 101,-2.4 -2,-0.5 102,-0.2 -0.840 32.8 152.4-100.3 111.8 19.6 -3.6 21.1 8 9 A A E + b 0 54A 0 45,-3.1 47,-0.5 -2,-0.8 17,-0.1 -0.399 29.2 124.2-138.0 50.8 21.0 -7.1 21.4 9 10 A G - 0 0 6 45,-0.3 16,-0.3 1,-0.3 15,-0.2 0.139 64.1 -24.1 -96.1-152.7 18.2 -9.2 23.0 10 11 A G - 0 0 40 71,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.385 33.9-167.0 -64.0 132.9 16.3 -12.3 22.1 11 12 A S > - 0 0 23 1,-0.4 3,-1.1 8,-0.1 4,-0.3 0.027 42.7-137.7 -93.2 19.3 16.1 -13.3 18.4 12 13 A G T 3 - 0 0 43 1,-0.2 -1,-0.4 2,-0.1 3,-0.1 -0.384 51.1 -44.2 61.9-131.4 13.4 -15.7 19.6 13 14 A T T > S+ 0 0 59 -2,-0.1 3,-2.2 -3,-0.1 -1,-0.2 0.331 105.4 111.1-108.7 2.3 13.6 -19.2 18.1 14 15 A R T < S+ 0 0 132 -3,-1.1 556,-0.3 1,-0.3 -2,-0.1 0.826 86.8 31.2 -52.4 -40.9 14.2 -17.9 14.6 15 16 A L T 3> S+ 0 0 14 -4,-0.3 4,-1.8 -3,-0.1 3,-0.4 0.115 95.5 167.6-112.1 23.2 17.8 -19.2 14.4 16 17 A H T <4 + 0 0 28 -3,-2.2 555,-0.4 1,-0.3 -3,-0.1 -0.559 56.2 26.2 -71.6 142.2 17.5 -22.2 16.6 17 18 A P T >4 S+ 0 0 1 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.993 121.0 53.5 -90.7 -11.7 19.3 -24.5 17.0 18 19 A A T 34 S+ 0 0 3 305,-0.9 3,-0.4 -3,-0.4 -2,-0.2 0.886 119.1 38.8 -44.1 -47.6 22.4 -22.4 16.0 19 20 A T T 3< S+ 0 0 9 -4,-1.8 -1,-0.3 1,-0.2 -3,-0.2 0.149 85.3 101.4 -93.2 17.5 21.5 -19.8 18.6 20 21 A L S < S+ 0 0 73 -3,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.842 89.1 38.4 -72.2 -32.6 20.2 -22.1 21.5 21 22 A A S S+ 0 0 1 -3,-0.4 2,-0.3 -4,-0.4 -1,-0.2 0.707 128.3 13.2 -88.8 -22.1 23.3 -21.9 23.6 22 23 A I S S- 0 0 4 -4,-0.2 -1,-0.2 296,-0.2 2,-0.1 -0.985 84.8 -91.9-155.5 155.2 24.2 -18.2 23.0 23 24 A S > - 0 0 13 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.359 33.4-115.3 -82.3 159.1 22.7 -15.1 21.6 24 25 A K G > S+ 0 0 1 1,-0.3 3,-1.5 -15,-0.2 10,-0.3 0.810 109.5 60.2 -61.0 -33.3 23.0 -14.0 18.1 25 26 A Q G 3 S+ 0 0 9 1,-0.3 10,-1.8 -16,-0.3 -1,-0.3 0.487 102.1 53.9 -83.7 -0.5 24.9 -10.8 18.8 26 27 A L G < S+ 0 0 2 -3,-2.0 -1,-0.3 8,-0.2 -2,-0.2 0.400 84.8 103.9-107.4 -2.6 27.8 -12.8 20.4 27 28 A L S < S- 0 0 4 -3,-1.5 7,-3.0 -4,-0.4 2,-0.3 -0.401 79.6-109.1 -67.9 154.1 28.1 -15.0 17.3 28 29 A P E -I 33 0B 22 0, 0.0 2,-0.7 0, 0.0 207,-0.1 -0.652 14.9-152.3 -91.0 150.1 31.1 -14.0 15.3 29 30 A V E > S-I 32 0B 1 3,-3.0 3,-1.4 -2,-0.3 2,-1.2 -0.954 75.8 -56.5-106.6 105.6 31.1 -12.3 12.0 30 31 A Y T 3 S- 0 0 29 -2,-0.7 205,-0.1 1,-0.2 493,-0.1 -0.466 129.1 -0.2 61.8 -87.7 34.5 -13.7 10.7 31 32 A D T 3 S+ 0 0 3 -2,-1.2 279,-0.5 204,-0.1 -1,-0.2 0.471 126.2 45.2-116.0 0.1 37.0 -12.6 13.3 32 33 A K E < S-I 29 0B 0 -3,-1.4 -3,-3.0 277,-0.1 278,-0.1 -0.966 87.0 -87.4-144.1 156.3 34.9 -10.7 15.8 33 34 A P E > -I 28 0B 1 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.349 43.4-117.6 -59.8 144.8 31.7 -10.9 17.8 34 35 A M T > S+ 0 0 0 -7,-3.0 3,-1.0 1,-0.3 -8,-0.2 0.785 110.8 61.1 -53.0 -38.6 28.7 -9.4 16.0 35 36 A I T 3> S+ 0 0 0 -10,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.718 87.2 74.8 -70.5 -19.9 28.1 -6.6 18.5 36 37 A Y H <> S+ 0 0 6 -3,-1.7 4,-3.3 -11,-0.2 -1,-0.2 0.916 92.8 56.7 -50.9 -40.2 31.6 -5.2 17.8 37 38 A Y H <> S+ 0 0 5 -3,-1.0 4,-1.8 -4,-0.5 -2,-0.2 0.956 111.5 35.9 -65.4 -56.0 30.3 -3.8 14.4 38 39 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.808 116.3 57.2 -69.1 -24.0 27.4 -1.7 15.7 39 40 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.977 108.3 45.9 -65.0 -51.0 29.5 -0.8 18.7 40 41 A S H X S+ 0 0 5 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.828 109.0 58.9 -56.4 -32.6 32.1 0.5 16.3 41 42 A T H X S+ 0 0 7 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.939 106.2 44.6 -63.8 -51.1 29.3 2.3 14.4 42 43 A L H <>S+ 0 0 1 -4,-2.4 5,-2.1 2,-0.2 -1,-0.2 0.866 112.7 53.8 -59.2 -40.2 28.2 4.3 17.4 43 44 A M H ><5S+ 0 0 0 -4,-2.2 3,-2.6 1,-0.2 -2,-0.2 0.924 105.1 53.1 -58.8 -44.3 31.9 5.1 18.1 44 45 A L H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.859 103.5 57.4 -62.6 -34.1 32.3 6.4 14.6 45 46 A A T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.418 123.6-110.1 -71.8 0.1 29.4 8.6 15.3 46 47 A G T < 5 + 0 0 42 -3,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.647 69.2 147.0 75.3 18.6 31.4 10.0 18.2 47 48 A I < + 0 0 3 -5,-2.1 -1,-0.2 -6,-0.1 -44,-0.1 -0.778 16.9 166.9 -90.9 128.0 29.1 8.4 20.9 48 49 A R + 0 0 108 -2,-0.4 27,-2.5 -46,-0.4 2,-0.6 0.596 59.4 68.9-118.7 -22.1 30.9 7.3 24.2 49 50 A E E + c 0 75A 34 -47,-0.5 -45,-2.6 25,-0.2 2,-0.4 -0.927 68.6 170.3-102.4 114.7 28.1 6.7 26.7 50 51 A I E -bc 4 76A 0 25,-1.8 27,-2.3 -2,-0.6 2,-0.5 -0.989 28.4-148.5-137.2 134.0 26.3 3.6 25.5 51 52 A L E -bc 5 77A 6 -47,-2.7 -45,-2.5 -2,-0.4 2,-0.6 -0.871 11.4-153.7 -98.5 127.3 23.6 1.3 26.9 52 53 A I E -bc 6 78A 0 25,-2.8 27,-2.6 -2,-0.5 2,-0.7 -0.909 7.3-162.8-101.0 118.2 23.7 -2.3 25.9 53 54 A I E +bc 7 79A 0 -47,-2.9 -45,-3.1 -2,-0.6 27,-0.2 -0.902 26.7 146.4-102.3 109.5 20.2 -4.0 26.1 54 55 A S E -bc 8 80A 0 25,-1.8 27,-2.5 -2,-0.7 -45,-0.3 -0.579 51.4 -73.4-122.5-175.0 20.4 -7.8 26.2 55 56 A T >> - 0 0 23 -47,-0.5 4,-1.4 25,-0.2 3,-0.8 -0.547 44.3-113.7 -74.4 154.5 18.5 -10.8 27.7 56 57 A P T 34 S+ 0 0 8 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.871 116.2 55.2 -52.4 -40.8 18.9 -11.5 31.4 57 58 A Q T 34 S+ 0 0 115 1,-0.2 4,-0.2 2,-0.1 607,-0.0 0.801 116.5 33.1 -64.6 -30.1 20.7 -14.8 30.5 58 59 A D T <> S+ 0 0 7 -3,-0.8 4,-2.5 1,-0.1 3,-0.4 0.501 87.1 94.4-112.3 -5.0 23.4 -13.2 28.3 59 60 A T H X S+ 0 0 0 -4,-1.4 4,-3.5 1,-0.2 5,-0.2 0.889 86.4 53.9 -54.9 -44.0 24.0 -9.9 29.9 60 61 A P H > S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.872 107.4 50.5 -59.5 -37.5 26.9 -11.3 31.9 61 62 A R H > S+ 0 0 8 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.902 111.6 47.9 -70.4 -37.4 28.5 -12.6 28.6 62 63 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.983 114.2 46.8 -59.5 -52.6 28.1 -9.1 27.2 63 64 A Q H X S+ 0 0 19 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.865 110.3 53.3 -56.1 -38.3 29.6 -7.7 30.3 64 65 A Q H < S+ 0 0 88 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.910 115.7 40.4 -63.4 -42.4 32.4 -10.3 30.2 65 66 A L H < S+ 0 0 14 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.933 131.7 20.6 -70.6 -48.9 33.3 -9.3 26.6 66 67 A L H >< S- 0 0 11 -4,-2.8 3,-1.0 1,-0.2 -3,-0.2 0.598 81.5-171.0-106.6 -21.1 32.9 -5.5 26.8 67 68 A G T 3< - 0 0 33 -4,-2.5 -1,-0.2 -5,-0.5 -2,-0.1 -0.230 63.6 -39.3 63.3-148.9 33.2 -4.5 30.5 68 69 A D T 3 S- 0 0 44 7,-0.1 8,-2.4 6,-0.1 -1,-0.2 0.394 80.9-115.2 -94.5 1.5 32.4 -0.9 31.5 69 70 A G S X >S+ 0 0 3 -3,-1.0 5,-3.2 6,-0.2 3,-1.5 0.334 81.3 122.9 90.3 -6.1 34.1 0.4 28.3 70 71 A S G > 5 + 0 0 48 1,-0.3 3,-1.1 3,-0.2 -3,-0.1 0.768 65.5 63.8 -64.4 -30.6 36.9 2.2 30.1 71 72 A N G 3 5S+ 0 0 92 1,-0.2 -1,-0.3 -5,-0.2 199,-0.1 0.773 112.8 36.0 -62.1 -23.9 39.6 0.3 28.3 72 73 A W G < 5S- 0 0 18 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.089 123.2 -96.2-119.6 22.3 38.4 1.9 25.0 73 74 A G T < 5S+ 0 0 15 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.653 89.1 113.3 77.4 16.0 37.4 5.3 26.2 74 75 A L < - 0 0 4 -5,-3.2 2,-0.4 -25,-0.0 -1,-0.2 -0.603 60.6-141.0-112.6 166.0 33.7 4.5 26.7 75 76 A D E -c 49 0A 6 -27,-2.5 -25,-1.8 -2,-0.2 2,-0.5 -0.924 27.2-170.4-124.8 113.5 31.3 4.1 29.6 76 77 A L E -c 50 0A 4 -8,-2.4 2,-0.3 -2,-0.4 -25,-0.2 -0.893 2.8-169.6-107.7 127.9 29.1 1.2 28.8 77 78 A Q E -c 51 0A 20 -27,-2.3 -25,-2.8 -2,-0.5 2,-0.4 -0.879 12.8-135.9-114.9 156.2 26.0 0.5 31.0 78 79 A Y E +c 52 0A 24 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.900 21.0 173.7-124.1 139.1 23.9 -2.6 30.9 79 80 A A E -c 53 0A 14 -27,-2.6 -25,-1.8 -2,-0.4 2,-0.3 -0.987 21.9-131.1-142.4 148.9 20.1 -3.3 30.9 80 81 A V E -c 54 0A 7 561,-0.4 -25,-0.2 -2,-0.3 -71,-0.1 -0.728 4.2-157.7-104.6 144.3 18.0 -6.4 30.5 81 82 A Q - 0 0 14 -27,-2.5 -71,-0.3 -2,-0.3 9,-0.0 -0.963 8.1-171.6-115.3 106.3 14.9 -7.0 28.2 82 83 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.720 74.8 22.6 -69.5 -23.6 12.9 -10.0 29.8 83 84 A S S S- 0 0 52 3,-0.1 2,-2.5 -73,-0.0 -74,-0.0 -0.981 82.7-120.1-151.6 128.7 10.5 -10.3 26.8 84 85 A P + 0 0 72 0, 0.0 3,-0.1 0, 0.0 -29,-0.0 -0.318 47.9 155.0 -79.5 67.0 11.1 -9.2 23.2 85 86 A D - 0 0 64 -2,-2.5 111,-2.3 1,-0.2 3,-0.1 0.091 62.0 -64.6 -85.8 24.0 8.1 -6.8 22.9 86 87 A G > - 0 0 4 109,-0.3 3,-1.4 1,-0.1 -1,-0.2 -0.025 45.1 -86.4 113.0 154.4 9.7 -4.6 20.1 87 88 A L T > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.789 117.2 62.9 -62.5 -34.4 12.6 -2.2 19.3 88 89 A A T >> S+ 0 0 0 108,-1.8 3,-0.9 1,-0.3 4,-0.5 0.624 83.8 78.1 -69.0 -15.6 10.8 0.9 20.5 89 90 A Q H <> S+ 0 0 36 -3,-1.4 4,-2.5 107,-0.4 3,-0.3 0.688 75.0 82.6 -63.7 -18.1 10.8 -0.6 24.0 90 91 A A H <> S+ 0 0 0 -3,-1.7 4,-3.7 1,-0.2 -1,-0.2 0.911 86.2 52.3 -51.0 -44.3 14.4 0.5 24.1 91 92 A F H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 2,-0.2 7,-0.2 0.857 110.6 45.9 -69.9 -32.6 13.5 4.1 25.1 92 93 A L H >< S+ 0 0 59 -4,-0.5 3,-0.8 -3,-0.3 4,-0.3 0.946 117.8 42.6 -71.1 -51.6 11.4 3.0 28.0 93 94 A I H 3< S+ 0 0 51 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.902 124.2 38.6 -59.5 -43.2 14.0 0.5 29.3 94 95 A G T 3X S+ 0 0 1 -4,-3.7 4,-3.2 -5,-0.3 -1,-0.2 0.393 85.3 112.7 -89.3 5.9 16.8 3.1 28.5 95 96 A E H <> S+ 0 0 77 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.818 82.5 37.5 -46.7 -48.6 14.6 6.1 29.7 96 97 A S H 4 S+ 0 0 71 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.877 114.9 55.2 -78.8 -37.0 16.7 7.0 32.8 97 98 A F H 4 S+ 0 0 12 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 112.3 46.0 -51.9 -42.4 20.0 6.2 31.0 98 99 A I H >< S+ 0 0 3 -4,-3.2 3,-1.5 -7,-0.2 2,-0.2 0.936 81.9 165.8 -70.5 -44.8 18.9 8.7 28.3 99 100 A G T 3< S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.477 72.5 -31.5 62.0-131.3 17.8 11.4 30.7 100 101 A N T 3 S+ 0 0 123 -2,-0.2 -1,-0.2 -4,-0.1 79,-0.1 0.057 111.4 114.4-104.0 20.3 17.2 14.7 28.8 101 102 A D S < S- 0 0 32 -3,-1.5 -99,-0.2 1,-0.1 2,-0.1 -0.324 73.0 -97.8 -93.9 171.1 20.0 14.0 26.3 102 103 A L E -a 2 0A 13 -101,-1.9 -99,-3.0 -2,-0.1 2,-0.3 -0.402 48.5-160.8 -74.3 163.4 20.1 13.3 22.6 103 104 A S E -aD 3 177A 0 74,-2.1 74,-2.0 -101,-0.3 2,-0.3 -0.920 22.0-158.1-146.4 166.3 20.2 9.6 21.6 104 105 A A E -aD 4 176A 0 -101,-1.4 -99,-2.6 -2,-0.3 2,-0.5 -0.956 10.4-156.4-148.9 136.2 21.0 7.1 19.0 105 106 A L E -aD 5 175A 0 70,-3.4 70,-2.5 -2,-0.3 2,-0.4 -0.948 12.4-178.7-115.8 130.8 19.7 3.5 18.6 106 107 A V E -aD 6 174A 0 -101,-2.8 -99,-2.0 -2,-0.5 2,-0.3 -0.964 29.3-118.5-126.6 143.6 21.6 0.8 16.7 107 108 A L E > -a 7 0A 26 66,-2.6 3,-1.4 -2,-0.4 -99,-0.1 -0.643 18.3-139.9 -78.1 135.8 20.7 -2.8 16.1 108 109 A G T 3 S+ 0 0 0 -101,-2.4 -71,-0.1 -2,-0.3 -1,-0.1 0.444 100.5 50.6 -80.7 0.4 23.2 -5.1 17.6 109 110 A D T 3 S+ 0 0 37 -102,-0.2 2,-0.5 64,-0.1 -1,-0.3 0.040 88.1 107.5-119.0 24.5 23.0 -7.4 14.5 110 111 A N < - 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0 0 89 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.437 33.6 -91.0-110.2 177.4 42.6 -24.0 43.1 849 265 C A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.823 123.8 52.6 -64.8 -31.4 45.6 -22.0 44.4 850 266 C A H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 110.0 48.2 -68.3 -41.8 46.4 -20.7 40.9 851 267 C Q H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.940 112.1 50.1 -64.5 -44.8 42.9 -19.4 40.3 852 268 C L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.917 108.1 51.9 -54.3 -49.7 42.9 -17.7 43.7 853 269 C E H X S+ 0 0 110 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.905 109.2 52.6 -56.0 -38.4 46.2 -16.0 43.0 854 270 C K H < S+ 0 0 154 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.896 108.2 47.7 -69.1 -43.2 44.6 -14.7 39.7 855 271 C L H < S+ 0 0 22 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.769 112.2 53.2 -62.2 -28.4 41.6 -13.3 41.5 856 272 C A H >< S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.2 -2,-0.2 0.822 91.2 76.7 -74.7 -36.1 44.0 -11.7 43.9 857 273 C A G >< S+ 0 0 59 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.832 95.2 45.1 -40.8 -52.3 46.2 -10.0 41.2 858 274 C P G 3 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.653 116.7 46.0 -71.8 -15.7 43.7 -7.1 40.4 859 275 C L G X S+ 0 0 19 -3,-1.5 6,-1.0 -4,-0.3 3,-1.0 0.077 74.3 117.5-115.1 20.2 43.1 -6.3 44.1 860 276 C A T < + 0 0 32 -3,-1.0 -1,-0.1 1,-0.3 -3,-0.1 0.747 69.5 58.9 -64.3 -29.1 46.8 -6.4 45.3 861 277 C K T 3 S+ 0 0 174 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.721 101.2 60.3 -76.0 -25.8 46.8 -2.8 46.4 862 278 C N S <> S- 0 0 10 -3,-1.0 4,-1.7 28,-0.1 3,-0.3 -0.634 94.2-103.9-103.1 165.7 44.0 -3.0 48.9 863 279 C G H > S+ 0 0 47 28,-0.3 4,-1.4 -2,-0.2 29,-0.1 0.696 115.3 58.1 -55.6 -27.5 43.5 -5.1 52.0 864 280 C Y H > S+ 0 0 9 29,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.917 108.2 42.2 -74.3 -49.1 41.1 -7.5 50.3 865 281 C G H > S+ 0 0 0 -6,-1.0 4,-1.6 -3,-0.3 -5,-0.2 0.836 114.6 53.3 -64.7 -32.2 43.5 -8.7 47.5 866 282 C Q H X S+ 0 0 107 -4,-1.7 4,-2.3 -7,-0.5 -2,-0.2 0.855 106.7 53.2 -70.7 -35.2 46.3 -8.8 50.1 867 283 C Y H X S+ 0 0 10 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.874 108.1 48.5 -64.2 -40.2 44.0 -11.1 52.2 868 284 C L H < S+ 0 0 0 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.806 110.5 52.1 -71.9 -33.7 43.4 -13.5 49.3 869 285 C K H >X S+ 0 0 92 -4,-1.6 3,-1.5 1,-0.2 4,-0.6 0.934 106.6 53.1 -64.9 -47.3 47.2 -13.6 48.7 870 286 C R H >< S+ 0 0 89 -4,-2.3 3,-1.2 1,-0.2 4,-0.3 0.853 99.6 64.0 -57.5 -29.3 47.9 -14.5 52.4 871 287 C L T 3< S+ 0 0 2 -4,-1.2 -1,-0.2 1,-0.3 3,-0.2 0.692 91.5 64.8 -71.9 -16.4 45.4 -17.4 52.1 872 288 C L T <4 S+ 0 0 39 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.807 116.5 25.9 -68.0 -30.4 47.7 -19.0 49.6 873 289 C T S << S+ 0 0 125 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.2 0.001 103.0 84.7-131.3 22.9 50.4 -19.4 52.3 874 290 C E - 0 0 87 -4,-0.3 2,-0.6 -3,-0.2 0, 0.0 -0.968 65.1-139.4-117.7 147.3 48.7 -19.5 55.7 875 291 C T - 0 0 103 -2,-0.4 2,-0.5 0, 0.0 -3,-0.1 -0.954 24.5-174.3 -96.5 121.6 47.3 -22.6 57.3 876 292 C V 0 0 30 -2,-0.6 -2,-0.0 1,-0.1 -5,-0.0 -0.984 360.0 360.0-119.8 121.1 44.0 -21.5 58.9 877 293 C Y 0 0 269 -2,-0.5 -1,-0.1 0, 0.0 0, 0.0 0.826 360.0 360.0 -80.5 360.0 42.2 -24.1 61.0 878 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 879 3 D R 0 0 60 0, 0.0 47,-0.4 0, 0.0 46,-0.3 0.000 360.0 360.0 360.0 116.4 30.3 32.0 43.7 880 4 D K E -f 980 0J 26 99,-3.1 101,-1.2 95,-0.1 2,-0.3 -0.570 360.0-141.8 -86.3 153.6 30.2 28.7 41.7 881 5 D G E -fg 981 927J 0 45,-2.8 47,-3.0 99,-0.2 2,-0.4 -0.816 12.2-166.4-119.8 154.1 30.7 25.4 43.5 882 6 D I E -fg 982 928J 1 99,-1.8 101,-2.0 -2,-0.3 2,-0.5 -0.988 6.7-157.5-140.6 130.8 32.4 22.1 42.6 883 7 D I E -fg 983 929J 1 45,-3.1 47,-2.8 -2,-0.4 2,-0.8 -0.939 10.0-151.4-105.8 127.5 32.2 18.7 44.2 884 8 D L E +fg 984 930J 8 99,-2.3 101,-3.4 -2,-0.5 2,-0.7 -0.870 21.2 170.2 -98.7 101.8 35.1 16.3 43.6 885 9 D A + 0 0 0 45,-2.5 47,-0.5 -2,-0.8 17,-0.1 -0.690 29.2 177.1-106.5 70.0 33.7 12.8 43.8 886 10 D G - 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0 0 42 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.3 -0.916 67.9-124.8-122.8 154.0 16.7 16.4 63.2 1125 249 D K - 0 0 43 -2,-0.3 2,-0.5 -3,-0.1 3,-0.3 -0.583 8.2-134.2 -99.9 155.2 18.8 15.4 60.3 1126 250 D V S S- 0 0 20 1,-0.2 -209,-0.0 -2,-0.2 -136,-0.0 -0.914 88.6 -1.1-101.4 130.6 22.3 16.4 59.3 1127 251 D A S S+ 0 0 15 -2,-0.5 -1,-0.2 1,-0.2 -210,-0.1 0.965 73.3 163.4 53.8 57.7 22.8 17.3 55.6 1128 252 D C > - 0 0 1 -3,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.946 24.9-158.9 -97.7 102.3 19.2 16.8 54.4 1129 253 D P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.846 86.1 57.8 -56.6 -35.9 19.4 18.8 51.1 1130 254 D E H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.962 109.7 43.8 -61.0 -50.6 15.7 19.3 50.9 1131 255 D E H > S+ 0 0 21 -3,-0.2 4,-3.3 2,-0.2 5,-0.3 0.939 113.5 50.7 -56.0 -51.1 15.6 21.0 54.2 1132 256 D I H X S+ 0 0 27 -4,-2.3 4,-2.4 1,-0.2 6,-0.2 0.973 113.6 44.7 -58.3 -52.8 18.7 23.1 53.5 1133 257 D A H <>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 6,-0.8 0.899 115.4 49.3 -51.7 -44.4 17.2 24.2 50.2 1134 258 D Y H ><5S+ 0 0 57 -4,-3.0 3,-0.6 -5,-0.3 -1,-0.2 0.864 112.7 46.6 -64.4 -37.8 13.9 24.9 52.0 1135 259 D R H 3<5S+ 0 0 89 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.782 108.3 55.5 -78.1 -25.0 15.6 26.8 54.8 1136 260 D Q T 3<5S- 0 0 49 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.488 115.3-118.5 -82.8 -3.4 17.6 28.8 52.2 1137 261 D K T < 5S+ 0 0 180 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.674 80.7 123.9 73.1 22.9 14.3 29.8 50.6 1138 262 D W S - 0 0 97 -2,-0.3 4,-2.6 -3,-0.1 5,-0.3 -0.485 31.9 -90.1-108.7 174.4 8.8 26.7 48.9 1141 265 D A H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 125.6 51.7 -47.4 -46.6 6.3 25.0 51.2 1142 266 D A H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 110.2 45.3 -61.5 -49.0 4.5 23.6 48.2 1143 267 D Q H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.853 111.9 53.4 -65.7 -35.8 7.6 22.1 46.5 1144 268 D L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.878 107.7 50.9 -65.1 -36.3 8.8 20.6 49.8 1145 269 D E H X S+ 0 0 119 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.898 111.5 48.8 -64.8 -39.2 5.3 19.0 50.2 1146 270 D K H < S+ 0 0 137 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.842 109.8 49.8 -72.2 -39.6 5.7 17.5 46.7 1147 271 D L H < S+ 0 0 20 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.829 110.8 53.0 -61.1 -33.8 9.3 16.2 47.3 1148 272 D A H >< S+ 0 0 0 -4,-1.6 3,-1.6 -5,-0.2 4,-0.3 0.862 92.4 74.8 -71.2 -35.1 7.9 14.6 50.5 1149 273 D A G >< S+ 0 0 58 -4,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.787 91.7 50.1 -52.5 -41.3 5.0 12.7 48.8 1150 274 D P G 3 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.634 117.1 41.2 -75.0 -12.0 7.0 9.8 47.1 1151 275 D L G X S+ 0 0 20 -3,-1.6 3,-2.5 -4,-0.3 6,-0.9 0.186 78.0 120.6-115.4 11.0 8.8 8.9 50.4 1152 276 D A T < + 0 0 32 -3,-0.9 -1,-0.1 1,-0.3 -3,-0.1 0.523 67.7 58.7 -63.2 -12.7 5.8 9.3 52.6 1153 277 D K T 3 S+ 0 0 177 -3,-0.1 -1,-0.3 -4,-0.1 2,-0.3 0.376 102.1 60.0-101.8 -0.1 5.9 5.7 53.9 1154 278 D N S <> S- 0 0 10 -3,-2.5 4,-2.1 -556,-0.1 3,-0.2 -0.801 94.7-104.7-114.9 169.9 9.5 6.0 55.3 1155 279 D G H > S+ 0 0 41 -2,-0.3 4,-1.4 -556,-0.2 5,-0.1 0.710 114.7 61.1 -62.6 -26.4 10.9 8.2 58.0 1156 280 D Y H > S+ 0 0 8 -555,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.941 110.2 40.4 -69.4 -47.1 12.8 10.5 55.5 1157 281 D G H > S+ 0 0 0 -6,-0.9 4,-2.4 2,-0.2 -5,-0.2 0.931 112.9 54.9 -59.8 -46.2 9.5 11.5 53.9 1158 282 D Q H X S+ 0 0 113 -4,-2.1 4,-2.1 -7,-0.5 -2,-0.2 0.818 109.9 49.1 -59.0 -28.7 7.7 11.7 57.3 1159 283 D Y H X S+ 0 0 9 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.851 108.3 50.5 -79.6 -40.4 10.5 14.2 58.3 1160 284 D L H X S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.911 113.0 47.7 -63.0 -40.6 10.2 16.4 55.2 1161 285 D K H >< S+ 0 0 93 -4,-2.4 3,-1.9 1,-0.2 4,-0.4 0.954 108.2 54.3 -63.2 -52.5 6.5 16.6 55.8 1162 286 D R H >< S+ 0 0 94 -4,-2.1 3,-1.3 1,-0.3 4,-0.5 0.815 98.3 66.5 -46.8 -35.2 7.0 17.4 59.6 1163 287 D L H 3< S+ 0 0 3 -4,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.779 87.8 67.0 -66.0 -24.1 9.3 20.2 58.4 1164 288 D L T << S+ 0 0 40 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.661 115.2 24.2 -66.3 -20.4 6.3 22.1 56.9 1165 289 D T S < S+ 0 0 128 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.2 0.158 101.9 88.8-137.7 14.7 4.6 22.8 60.3 1166 290 D E - 0 0 87 -4,-0.5 2,-0.6 -3,-0.5 0, 0.0 -0.972 66.8-135.7-112.3 133.6 7.4 22.7 63.0 1167 291 D T - 0 0 100 -2,-0.4 2,-0.5 -3,-0.0 -3,-0.1 -0.783 26.1-174.0 -78.6 124.3 9.4 25.7 64.0 1168 292 D V 0 0 30 -2,-0.6 -2,-0.0 1,-0.1 -5,-0.0 -0.969 360.0 360.0-122.1 117.3 13.0 24.5 64.2 1169 293 D Y 0 0 267 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 0.752 360.0 360.0 -85.6 360.0 15.5 27.0 65.5