==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-02 1MC3 . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SIVARAMAN,V.SAUVE,A.MATTE,M.CYGLER,MONTREAL-KINGSTON . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 9.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 52 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 2 0 5 4 3 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 3 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 . 3 3 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 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 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 0 A H 0 0 150 0, 0.0 2,-0.3 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 125.6 42.1 28.7 15.7 2 1 A X - 0 0 23 44,-0.2 47,-0.5 99,-0.1 46,-0.3 -0.817 360.0-125.0-130.2 165.6 42.8 25.6 13.5 3 2 A K E -a 103 0A 20 99,-1.9 101,-1.2 -2,-0.3 2,-0.4 -0.824 16.4-149.1-115.6 154.6 41.9 21.9 13.6 4 3 A G E -ab 104 50A 0 45,-2.4 47,-2.6 -2,-0.3 2,-0.3 -0.938 5.9-165.1-127.3 149.5 44.1 18.8 13.5 5 4 A I E -ab 105 51A 0 99,-2.8 101,-1.8 -2,-0.4 2,-0.4 -0.955 4.2-159.9-126.9 146.0 43.6 15.2 12.3 6 5 A I E -ab 106 52A 0 45,-2.3 47,-2.7 -2,-0.3 2,-0.9 -0.963 12.8-145.4-129.9 116.1 45.7 12.1 13.0 7 6 A L E +ab 107 53A 15 99,-1.1 101,-1.5 -2,-0.4 47,-0.2 -0.714 32.9 159.6 -77.8 109.0 45.6 9.1 10.7 8 7 A A + 0 0 0 45,-3.2 47,-0.4 -2,-0.9 17,-0.2 -0.084 45.9 80.6-123.2 32.2 46.0 6.2 13.1 9 8 A G + 0 0 10 45,-0.2 16,-0.2 15,-0.1 15,-0.2 0.245 43.2 117.4-106.6-129.6 44.6 3.4 11.0 10 9 A G - 0 0 36 71,-0.2 14,-0.2 1,-0.1 45,-0.1 0.138 69.7-100.4 80.2 160.7 46.3 1.4 8.3 11 10 A S - 0 0 68 73,-0.1 -1,-0.1 12,-0.1 8,-0.0 0.560 39.2-150.7 -92.3 -12.7 47.1 -2.4 8.1 12 11 A G > + 0 0 18 1,-0.1 3,-1.4 2,-0.1 7,-0.3 0.848 27.7 169.7 41.8 50.3 50.7 -1.8 9.1 13 12 A T G > + 0 0 78 1,-0.2 3,-1.9 2,-0.2 -1,-0.1 0.786 62.3 68.4 -62.1 -31.2 51.8 -4.9 7.1 14 13 A R G 3 S+ 0 0 164 1,-0.3 214,-0.6 212,-0.1 -1,-0.2 0.613 102.8 45.9 -66.5 -10.6 55.5 -4.2 7.3 15 14 A L G X> S+ 0 0 0 -3,-1.4 4,-1.2 212,-0.2 3,-1.0 0.065 89.3 150.8-113.3 24.2 55.5 -5.0 11.0 16 15 A H H <> + 0 0 70 -3,-1.9 4,-0.7 1,-0.3 -1,-0.1 0.593 51.2 54.0 -41.0 -55.3 53.4 -8.0 10.4 17 16 A P H >4 S+ 0 0 91 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.971 123.2 38.2 -47.4 -42.3 53.7 -10.8 12.7 18 17 A I H X> S+ 0 0 77 -3,-1.0 3,-2.3 1,-0.2 4,-1.0 0.932 109.7 54.2 -64.3 -60.2 52.9 -8.1 15.4 19 18 A T H 3< S+ 0 0 18 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.2 0.360 85.8 85.6 -64.1 7.3 50.3 -5.8 13.8 20 19 A R T << S+ 0 0 198 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.662 106.4 25.9 -78.1 -16.6 48.2 -8.8 13.1 21 20 A G T <4 S+ 0 0 60 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.831 126.4 25.4-110.4 -57.0 47.0 -8.2 16.6 22 21 A V S < S- 0 0 54 -4,-1.0 -1,-0.3 1,-0.1 5,-0.1 -0.843 85.3 -95.4-116.3 150.6 47.3 -4.6 17.7 23 22 A S >> - 0 0 6 -2,-0.3 3,-2.0 1,-0.1 4,-0.5 -0.308 31.1-124.0 -60.7 141.4 47.4 -1.4 15.7 24 23 A K G >4 S+ 0 0 22 1,-0.3 3,-1.1 -15,-0.2 10,-0.2 0.819 108.9 62.4 -53.5 -36.0 50.9 -0.1 14.9 25 24 A Q G 34 S+ 0 0 6 1,-0.3 10,-2.0 -17,-0.2 -1,-0.3 0.480 98.3 55.1 -74.0 -2.6 50.0 3.3 16.6 26 25 A L G <4 S+ 0 0 28 -3,-2.0 -1,-0.3 8,-0.2 -2,-0.2 0.548 86.2 105.4-103.2 -10.3 49.6 1.6 19.9 27 26 A L S << S- 0 0 19 -3,-1.1 7,-2.8 -4,-0.5 2,-0.3 -0.233 78.6 -94.9 -65.9 157.3 53.0 0.0 19.8 28 27 A P E -H 33 0B 80 0, 0.0 2,-0.8 0, 0.0 207,-0.2 -0.593 23.4-168.5 -88.8 138.1 55.7 1.5 22.0 29 28 A I E > S-H 32 0B 0 3,-2.6 3,-1.7 -2,-0.3 2,-0.8 -0.926 79.8 -60.4-110.9 92.8 58.4 4.1 21.2 30 29 A Y T 3 S- 0 0 75 -2,-0.8 205,-0.1 1,-0.3 206,-0.1 -0.504 120.7 -11.2 66.8-101.6 60.3 3.5 24.4 31 30 A D T 3 S+ 0 0 58 -2,-0.8 -1,-0.3 204,-0.1 248,-0.1 0.407 124.5 69.0-110.9 0.4 58.0 4.3 27.3 32 31 A K E < S-H 29 0B 2 -3,-1.7 -3,-2.6 2,-0.0 5,-0.1 -0.940 87.2-103.0-125.4 145.5 55.1 6.0 25.4 33 32 A P E > -H 28 0B 31 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.266 40.1-113.3 -57.6 147.0 52.5 4.6 23.0 34 33 A X T > S+ 0 0 0 -7,-2.8 3,-2.2 1,-0.3 -8,-0.2 0.890 113.4 61.3 -53.4 -42.8 53.4 5.5 19.4 35 34 A I T 3> S+ 0 0 0 -10,-2.0 4,-1.9 1,-0.3 -1,-0.3 0.711 86.5 75.9 -59.4 -20.4 50.4 7.8 19.0 36 35 A Y H <> S+ 0 0 25 -3,-1.6 4,-1.9 1,-0.2 -1,-0.3 0.811 93.3 55.7 -59.1 -29.9 51.7 10.0 21.8 37 36 A Y H <> S+ 0 0 3 -3,-2.2 4,-1.4 -4,-0.4 -2,-0.2 0.983 106.8 40.7 -73.7 -58.7 54.3 11.3 19.4 38 37 A P H >> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.929 115.9 55.7 -56.6 -36.8 52.2 12.6 16.4 39 38 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.935 101.2 55.3 -57.4 -49.9 49.8 14.0 19.0 40 39 A S H 3X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.798 102.8 58.7 -55.3 -31.4 52.4 16.1 20.8 41 40 A V H S+ 0 0 0 -4,-1.5 5,-2.5 1,-0.3 -2,-0.2 0.869 113.4 51.0 -53.2 -39.1 49.7 19.0 17.1 43 42 A X H ><5S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -1,-0.3 0.877 106.6 52.2 -69.2 -34.3 49.9 20.2 20.7 44 43 A L H 3<5S+ 0 0 30 -4,-2.2 78,-0.3 -3,-0.4 -1,-0.2 0.745 106.2 55.9 -72.0 -19.9 53.2 22.0 20.1 45 44 A A T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.466 121.9-113.2 -87.5 -1.2 51.4 23.7 17.2 46 45 A G T < 5 + 0 0 26 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.726 66.0 147.1 77.5 24.3 48.8 24.8 19.7 47 46 A I < + 0 0 6 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.832 19.1 171.0 -98.5 123.5 45.9 22.7 18.3 48 47 A R + 0 0 110 -2,-0.5 27,-3.1 -46,-0.3 2,-0.8 0.634 60.7 73.4-103.8 -20.4 43.3 21.5 20.8 49 48 A E E + c 0 75A 59 -47,-0.5 -45,-2.4 25,-0.2 2,-0.4 -0.888 65.4 170.5 -98.6 112.5 40.5 20.1 18.6 50 49 A I E -bc 4 76A 0 25,-2.0 27,-2.5 -2,-0.8 2,-0.5 -0.981 25.4-156.0-132.5 127.3 41.9 16.8 17.2 51 50 A L E -bc 5 77A 4 -47,-2.6 -45,-2.3 -2,-0.4 2,-0.6 -0.845 11.5-157.8 -98.4 129.3 40.1 14.1 15.2 52 51 A I E -bc 6 78A 0 25,-2.7 27,-1.7 -2,-0.5 2,-0.6 -0.949 4.5-156.7-108.9 120.8 41.8 10.6 15.4 53 52 A I E +bc 7 79A 0 -47,-2.7 -45,-3.2 -2,-0.6 2,-0.2 -0.875 25.2 158.5-100.9 127.4 40.9 8.3 12.6 54 53 A T E - c 0 80A 0 25,-2.0 27,-2.7 -2,-0.6 -45,-0.2 -0.801 43.7 -86.2-135.6 174.3 41.4 4.6 13.4 55 54 A T > - 0 0 12 -47,-0.4 4,-1.6 -2,-0.2 28,-0.1 -0.399 41.9-111.4 -79.0 162.9 40.1 1.2 12.2 56 55 A P T 4 S+ 0 0 50 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.850 116.6 52.3 -64.9 -30.1 36.8 -0.1 13.6 57 56 A E T 4 S+ 0 0 145 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.853 111.9 41.0 -75.9 -35.5 38.7 -2.8 15.4 58 57 A D T >> S+ 0 0 21 1,-0.1 3,-2.0 2,-0.1 4,-1.4 0.741 87.2 95.6 -85.9 -23.1 41.3 -0.7 17.2 59 58 A K H >X S+ 0 0 53 -4,-1.6 4,-2.7 1,-0.3 3,-0.5 0.802 82.0 49.9 -31.7 -63.0 39.0 2.2 18.3 60 59 A G H 3> S+ 0 0 39 -4,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.777 107.4 56.4 -56.9 -26.8 38.1 1.1 21.8 61 60 A Y H <> S+ 0 0 127 -3,-2.0 4,-1.3 2,-0.2 -1,-0.3 0.902 109.3 45.2 -72.6 -39.0 41.8 0.6 22.5 62 61 A F H < S- 0 0 4 -4,-3.4 3,-1.6 1,-0.1 5,-0.3 0.643 79.4-172.7-112.9 -18.3 43.2 8.4 25.4 67 66 A G T 3< - 0 0 35 -4,-2.7 -1,-0.1 -5,-0.5 -2,-0.1 -0.245 69.1 -33.0 58.2-147.6 39.6 8.9 26.6 68 67 A D T 3 S- 0 0 99 7,-0.1 8,-2.4 1,-0.0 -1,-0.3 0.407 85.8-113.4 -85.6 2.2 38.1 12.3 25.5 69 68 A G S X >S+ 0 0 1 -3,-1.6 3,-2.1 6,-0.2 5,-1.5 0.429 83.6 125.1 82.5 -1.2 41.5 13.9 25.9 70 69 A S G > 5 + 0 0 73 1,-0.3 3,-1.2 3,-0.2 -3,-0.1 0.768 65.0 68.1 -61.1 -23.7 40.4 16.0 28.8 71 70 A E G 3 5S+ 0 0 145 -5,-0.3 -1,-0.3 1,-0.3 199,-0.1 0.686 108.6 35.7 -69.1 -16.7 43.3 14.4 30.7 72 71 A F G < 5S- 0 0 5 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.164 119.9-108.9-119.2 13.7 45.7 16.3 28.5 73 72 A G T < 5S+ 0 0 9 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.960 80.9 114.7 57.9 54.7 43.5 19.3 28.2 74 73 A I < - 0 0 9 -5,-1.5 2,-0.8 -6,-0.1 -2,-0.2 -0.969 68.6-116.1-148.5 159.2 42.5 18.7 24.6 75 74 A Q E -c 49 0A 52 -27,-3.1 -25,-2.0 -2,-0.3 2,-0.4 -0.837 34.4-167.8-104.1 99.0 39.2 17.9 22.8 76 75 A L E -c 50 0A 16 -8,-2.4 2,-0.3 -2,-0.8 -25,-0.2 -0.720 7.9-176.6 -93.1 132.2 39.5 14.5 21.1 77 76 A E E -c 51 0A 92 -27,-2.5 -25,-2.7 -2,-0.4 2,-0.3 -0.915 12.8-147.0-120.4 149.3 37.0 13.2 18.6 78 77 A Y E +c 52 0A 43 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.854 16.4 175.3-118.1 154.1 37.1 9.8 17.0 79 78 A A E -c 53 0A 21 -27,-1.7 -25,-2.0 -2,-0.3 2,-0.4 -0.973 23.8-128.1-153.9 139.9 36.1 8.5 13.6 80 79 A E E -c 54 0A 86 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.768 3.5-155.1 -98.4 137.0 36.4 5.0 11.9 81 80 A Q - 0 0 12 -27,-2.7 -71,-0.2 -2,-0.4 9,-0.0 -0.900 14.6-155.8-108.2 99.2 38.0 4.4 8.5 82 81 A P S S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.775 75.7 10.3 -39.0 -49.0 36.2 1.1 7.5 83 82 A S S S- 0 0 51 -3,-0.1 2,-2.4 -28,-0.1 -74,-0.0 -0.992 87.4-104.4-140.6 141.5 39.0 -0.1 5.1 84 83 A P + 0 0 60 0, 0.0 -73,-0.1 0, 0.0 3,-0.1 -0.339 54.6 156.0 -68.7 71.7 42.5 1.3 4.6 85 84 A D - 0 0 70 -2,-2.4 111,-3.3 1,-0.2 2,-0.1 0.257 57.7 -71.7 -85.8 13.5 41.8 3.1 1.3 86 85 A G - 0 0 6 109,-0.3 3,-0.3 1,-0.1 -1,-0.2 -0.378 44.7 -84.3 118.5 160.9 44.6 5.7 1.4 87 86 A L S > S+ 0 0 43 109,-0.3 3,-2.6 1,-0.2 4,-0.3 0.879 113.9 65.2 -73.2 -42.7 45.6 8.9 3.2 88 87 A A T >> S+ 0 0 0 108,-2.0 3,-1.6 1,-0.3 4,-0.7 0.815 87.7 75.4 -49.4 -31.9 43.6 11.5 1.2 89 88 A Q H 3> S+ 0 0 28 107,-0.5 4,-2.7 -3,-0.3 -1,-0.3 0.605 74.2 81.0 -58.9 -13.3 40.5 9.8 2.5 90 89 A A H <> S+ 0 0 0 -3,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.908 92.0 47.6 -62.4 -41.9 41.1 11.5 5.8 91 90 A F H <4 S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.851 112.1 49.1 -69.6 -34.1 39.6 14.7 4.6 92 91 A I H >< S+ 0 0 67 -4,-0.7 3,-2.5 2,-0.2 4,-0.3 0.998 117.0 41.9 -63.7 -65.3 36.5 12.9 3.1 93 92 A I H 3< S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.3 4,-0.2 0.803 119.9 45.9 -49.7 -34.9 36.0 11.0 6.4 94 93 A G T 3X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.182 79.8 107.6 -99.3 20.8 36.8 14.2 8.3 95 94 A E H <> S+ 0 0 82 -3,-2.5 4,-2.8 1,-0.2 3,-0.2 0.991 79.8 46.1 -58.6 -69.4 34.6 16.6 6.4 96 95 A T H 4 S+ 0 0 97 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.814 117.1 49.8 -42.7 -35.1 31.8 17.1 8.9 97 96 A F H 4 S+ 0 0 17 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.955 110.9 43.6 -71.6 -54.6 34.6 17.5 11.5 98 97 A L H >< S- 0 0 1 -4,-2.8 3,-1.9 1,-0.2 2,-0.4 0.846 85.8-176.1 -58.1 -33.6 36.8 20.1 9.7 99 98 A N T 3< - 0 0 129 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.568 67.0 -41.7 65.1-122.4 33.7 21.9 8.8 100 99 A G T 3 S+ 0 0 44 -2,-0.4 -1,-0.3 -3,-0.1 79,-0.3 0.389 110.0 113.3-116.5 5.4 35.2 24.7 6.6 101 100 A E S < S- 0 0 79 -3,-1.9 -99,-0.1 1,-0.1 2,-0.1 -0.156 71.3 -93.9 -76.5 167.2 38.2 25.5 8.7 102 101 A P - 0 0 33 0, 0.0 -99,-1.9 0, 0.0 2,-0.3 -0.367 47.8-159.7 -75.0 160.3 41.9 25.1 8.0 103 102 A S E -a 3 0A 0 -101,-0.2 74,-2.5 -2,-0.1 2,-0.4 -0.843 25.2-141.0-143.3 176.6 43.8 22.0 9.2 104 103 A C E -aD 4 176A 1 -101,-1.2 -99,-2.8 -2,-0.3 2,-0.5 -0.964 17.4-163.2-142.1 116.2 46.8 20.0 10.1 105 104 A L E -aD 5 175A 0 70,-1.8 70,-3.0 -2,-0.4 2,-0.4 -0.869 7.1-176.8-104.0 133.9 47.3 16.3 9.2 106 105 A V E -aD 6 174A 0 -101,-1.8 -99,-1.1 -2,-0.5 68,-0.2 -0.995 25.8-126.2-131.4 125.0 50.0 14.3 11.0 107 106 A L E > -a 7 0A 24 66,-2.5 3,-0.9 -2,-0.4 -99,-0.1 -0.389 19.6-129.7 -65.8 146.9 50.7 10.7 10.1 108 107 A G T 3 S+ 0 0 2 -101,-1.5 -71,-0.2 1,-0.2 -1,-0.1 0.683 100.4 55.0 -75.2 -17.5 50.5 8.4 13.1 109 108 A D T 3 S+ 0 0 16 -102,-0.1 116,-1.5 -72,-0.1 2,-0.4 0.112 84.9 107.2-103.2 23.5 53.8 6.6 12.6 110 109 A N E < -I 224 0C 1 -3,-0.9 2,-0.5 114,-0.2 114,-0.2 -0.844 48.6-164.2-106.5 133.7 56.0 9.8 12.4 111 110 A I E -I 223 0C 2 112,-2.0 112,-1.8 -2,-0.4 2,-0.4 -0.966 11.3-175.7-116.3 127.4 58.4 10.9 15.2 112 111 A F E +I 222 0C 12 -2,-0.5 2,-0.3 110,-0.2 110,-0.2 -0.956 9.1 160.1-123.2 143.1 59.6 14.5 15.1 113 112 A F E +I 221 0C 33 108,-1.8 108,-3.3 -2,-0.4 2,-0.3 -0.828 8.0 126.8-167.4 126.2 62.1 16.2 17.4 114 113 A G - 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0 0 21 -6,-0.6 2,-0.4 -321,-0.1 -2,-0.1 -0.851 64.3-120.4-123.4 166.2 75.3 17.6 13.5 540 247 B K - 0 0 33 -2,-0.3 3,-0.5 -3,-0.1 2,-0.4 -0.867 17.9-140.7-106.6 137.8 78.8 16.5 14.7 541 248 B I S S+ 0 0 6 -2,-0.4 3,-0.1 1,-0.2 -136,-0.1 -0.798 82.5 2.9 -96.9 136.5 79.9 16.7 18.3 542 249 B A S S+ 0 0 7 -2,-0.4 2,-1.1 1,-0.2 -1,-0.2 0.905 76.9 161.6 58.7 44.5 83.5 17.8 19.0 543 250 B C > - 0 0 3 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 -0.820 20.3-167.4 -95.8 97.3 84.4 18.4 15.4 544 251 B L H > S+ 0 0 0 -2,-1.1 4,-2.9 1,-0.2 5,-0.3 0.920 79.3 51.8 -56.6 -54.4 87.4 20.6 15.9 545 252 B E H > S+ 0 0 10 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.910 111.6 50.8 -53.6 -38.5 88.0 21.9 12.4 546 253 B E H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.894 110.0 48.3 -66.9 -37.2 84.4 23.0 12.4 547 254 B I H X S+ 0 0 7 -4,-1.9 4,-1.5 -3,-0.3 6,-0.2 0.936 113.6 48.2 -66.4 -42.8 84.7 24.8 15.7 548 255 B A H <>S+ 0 0 0 -4,-2.9 5,-2.5 2,-0.2 6,-0.6 0.958 107.9 55.7 -59.9 -53.0 87.8 26.5 14.5 549 256 B W H ><5S+ 0 0 70 -4,-2.9 3,-2.1 -5,-0.3 -2,-0.2 0.924 110.2 42.3 -45.2 -61.2 86.2 27.6 11.3 550 257 B R H 3<5S+ 0 0 130 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.797 110.0 59.1 -60.2 -28.6 83.3 29.4 12.8 551 258 B N T 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.394 115.3-118.3 -81.0 4.4 85.6 30.9 15.4 552 259 B G T < 5S+ 0 0 64 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.686 82.4 124.2 66.4 16.7 87.5 32.4 12.6 553 260 B W S > - 0 0 99 -2,-0.3 4,-1.7 -3,-0.1 3,-1.5 -0.277 35.9 -99.9 -73.8 159.3 89.9 29.7 6.8 556 263 B D H 3> S+ 0 0 97 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.800 125.1 61.1 -47.7 -35.2 87.8 27.7 4.3 557 264 B E H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.917 104.4 48.5 -60.7 -42.7 91.0 26.7 2.7 558 265 B G H <> S+ 0 0 24 -3,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.906 110.0 49.9 -63.3 -45.7 92.0 25.1 6.0 559 266 B V H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.846 108.5 54.8 -62.2 -35.2 88.8 23.2 6.4 560 267 B K H X S+ 0 0 119 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.878 103.4 53.2 -69.0 -36.7 89.1 21.9 2.9 561 268 B R H X S+ 0 0 69 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.886 114.7 44.9 -64.4 -35.5 92.6 20.4 3.4 562 269 B A H X S+ 0 0 14 -4,-1.5 4,-0.7 2,-0.2 5,-0.2 0.979 110.1 49.5 -70.2 -60.8 91.2 18.6 6.4 563 270 B A H >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 4,-0.3 0.809 110.4 56.5 -51.1 -29.7 87.9 17.3 4.9 564 271 B S H >< S+ 0 0 41 -4,-1.7 3,-1.7 1,-0.2 4,-0.3 0.973 104.2 47.8 -67.5 -54.2 90.0 16.0 2.0 565 272 B S H 3< S+ 0 0 99 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.437 121.3 40.2 -67.7 -0.3 92.4 13.9 4.1 566 273 B L T X< S+ 0 0 57 -4,-0.7 3,-3.5 -3,-0.5 6,-0.9 0.280 79.4 118.0-125.6 2.2 89.3 12.5 5.8 567 274 B A T < S+ 0 0 47 -3,-1.7 6,-0.1 1,-0.3 -2,-0.1 0.710 71.3 59.0 -40.2 -36.5 87.2 12.3 2.6 568 275 B K T 3 S+ 0 0 210 -4,-0.3 -1,-0.3 4,-0.1 2,-0.3 0.486 102.1 77.6 -77.0 -0.7 86.9 8.5 2.9 569 276 B T S <> S- 0 0 59 -3,-3.5 4,-1.9 -6,-0.2 3,-0.5 -0.793 84.5-126.9-114.3 148.9 85.3 9.2 6.3 570 277 B G H > S+ 0 0 47 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.813 115.8 58.5 -61.3 -26.3 81.8 10.3 7.5 571 278 B Y H > S+ 0 0 10 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.887 105.4 50.5 -68.1 -37.8 83.7 13.0 9.4 572 279 B G H > S+ 0 0 0 -6,-0.9 4,-1.9 -3,-0.5 -5,-0.2 0.896 108.7 47.6 -68.7 -43.7 85.2 14.2 6.1 573 280 B Q H X S+ 0 0 97 -4,-1.9 4,-3.0 -7,-0.3 5,-0.2 0.875 105.9 59.2 -66.5 -36.1 81.9 14.5 4.1 574 281 B Y H X S+ 0 0 24 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.888 108.6 47.3 -58.1 -36.1 80.4 16.3 7.0 575 282 B L H < S+ 0 0 0 -4,-1.1 4,-0.5 2,-0.2 -2,-0.2 0.885 109.8 50.3 -72.7 -40.0 83.2 18.8 6.5 576 283 B L H >< S+ 0 0 67 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.924 107.7 55.8 -63.0 -44.5 82.7 19.0 2.7 577 284 B E H 3< S+ 0 0 110 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.785 98.9 59.1 -58.8 -31.8 79.0 19.6 3.2 578 285 B L T 3< S+ 0 0 32 -4,-1.0 2,-0.9 1,-0.3 -1,-0.3 0.682 86.5 82.0 -73.0 -13.5 79.7 22.7 5.4 579 286 B L S < S+ 0 0 47 -3,-1.6 -1,-0.3 -4,-0.5 2,-0.2 -0.162 103.3 13.8 -85.0 43.4 81.5 24.1 2.5 580 287 B R S S- 0 0 175 -2,-0.9 2,-0.3 -3,-0.4 -3,-0.0 -0.851 74.1-116.7-174.1-148.7 78.2 25.3 0.9 581 288 B A - 0 0 98 -2,-0.2 -2,-0.0 0, 0.0 -3,-0.0 -0.980 13.0-121.6-168.5 169.6 74.5 25.9 1.6 582 289 B R 0 0 60 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.753 360.0 360.0-120.5 165.5 70.8 25.0 0.8 583 290 B P 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -433,-0.1 0.792 360.0 360.0 -69.0 360.0 67.7 26.9 -0.5