==== 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 12-FEB-09 3G8W . COMPND 2 MOLECULE: LACTOCOCCAL PROPHAGE PS3 PROTEIN 05; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS ATCC 12228; . AUTHOR K.TAN,A.SATHER,N.MARSHALL,S.CLANCY,A.JOACHIMIAK,MIDWEST CENT . 649 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 79.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 25.6 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 . 8 1.2 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 . 78 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 0 3 9 1 3 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 1 3 0 4 5 7 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 0 0 4 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 X 0 0 108 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-134.5 19.5 62.4 51.5 2 2 A N - 0 0 51 57,-0.1 2,-0.2 55,-0.1 57,-0.2 -0.984 360.0-173.9-167.9 173.5 21.2 62.5 55.0 3 3 A N - 0 0 84 55,-0.3 55,-2.6 -2,-0.3 2,-0.4 -0.745 24.6-155.3-175.4 135.2 24.0 62.5 57.6 4 4 A I E +A 57 0A 30 -2,-0.2 2,-0.3 53,-0.2 53,-0.2 -0.980 26.2 142.3-126.4 135.0 23.3 62.5 61.4 5 5 A R E -A 56 0A 79 51,-2.0 51,-2.7 -2,-0.4 2,-0.1 -0.987 51.6 -70.8-161.4 164.8 25.7 63.8 64.1 6 6 A L E -A 55 0A 81 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.393 49.4-131.3 -54.0 137.9 26.3 65.6 67.4 7 7 A L - 0 0 5 47,-2.5 47,-0.4 -2,-0.1 2,-0.2 -0.768 25.1-166.0 -94.1 141.5 25.7 69.3 67.1 8 8 A N > - 0 0 54 -2,-0.3 3,-2.6 45,-0.1 38,-0.2 -0.659 42.7 -84.3-116.9-177.1 28.3 71.7 68.4 9 9 A Q G > S+ 0 0 84 36,-0.3 3,-1.7 1,-0.3 4,-0.2 0.874 125.3 63.6 -53.5 -37.1 28.6 75.4 69.3 10 10 A N G 3 S+ 0 0 146 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.620 95.0 59.2 -59.9 -19.3 29.4 76.0 65.5 11 11 A D G <> S+ 0 0 13 -3,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.293 73.9 102.8 -92.6 10.4 25.9 74.7 64.5 12 12 A L H <> S+ 0 0 18 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.872 77.4 51.3 -63.0 -43.0 24.1 77.3 66.6 13 13 A D H > S+ 0 0 135 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.933 112.4 46.8 -55.0 -51.6 23.2 79.5 63.5 14 14 A S H > S+ 0 0 43 1,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.840 112.2 50.1 -58.0 -41.5 21.7 76.6 61.7 15 15 A Y H X S+ 0 0 1 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.830 109.4 50.4 -74.4 -35.2 19.8 75.4 64.7 16 16 A I H X S+ 0 0 35 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.904 109.7 52.4 -66.6 -42.9 18.4 78.9 65.2 17 17 A E H X S+ 0 0 129 -4,-2.7 4,-0.6 1,-0.2 3,-0.3 0.893 104.7 55.9 -58.3 -41.7 17.4 78.9 61.5 18 18 A L H >< S+ 0 0 7 -4,-2.1 3,-0.8 1,-0.2 5,-0.4 0.886 107.6 47.9 -59.1 -40.7 15.6 75.6 61.9 19 19 A X H >< S+ 0 0 4 -4,-1.3 3,-1.1 1,-0.2 -1,-0.2 0.770 102.3 64.7 -68.7 -26.9 13.4 76.9 64.7 20 20 A K H 3< S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.652 81.6 78.0 -77.3 -15.7 12.6 80.0 62.8 21 21 A F T << S- 0 0 88 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.782 89.6-142.3 -64.0 -27.2 10.7 78.0 60.1 22 22 A G < + 0 0 46 -3,-1.1 -2,-0.1 -4,-0.3 5,-0.1 0.835 54.2 137.9 69.1 36.3 7.7 77.7 62.4 23 23 A H + 0 0 63 -5,-0.4 2,-0.1 -4,-0.1 -4,-0.1 0.624 29.2 111.2 -91.8 -13.5 6.9 74.2 61.3 24 24 A H > - 0 0 48 -5,-0.2 3,-1.4 1,-0.1 6,-0.1 -0.414 68.2-137.6 -61.9 131.0 6.2 72.8 64.8 25 25 A N T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.745 100.8 38.3 -69.9 -24.1 2.5 72.1 64.9 26 26 A Y T 3 S- 0 0 80 97,-0.0 -1,-0.3 94,-0.0 -2,-0.1 0.011 115.0-110.3-114.6 24.8 1.8 73.5 68.4 27 27 A E X> + 0 0 96 -3,-1.4 4,-2.3 1,-0.1 3,-0.9 0.593 69.8 142.6 62.0 16.1 4.2 76.5 67.9 28 28 A W H 3> + 0 0 46 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.843 67.7 61.5 -59.5 -29.6 6.9 75.2 70.4 29 29 A D H 3> S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.903 108.4 40.4 -66.4 -33.6 9.5 76.5 68.1 30 30 A R H <> S+ 0 0 91 -3,-0.9 4,-3.3 2,-0.2 5,-0.2 0.930 116.5 49.9 -77.9 -42.8 8.3 80.1 68.4 31 31 A Y H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.952 115.0 43.8 -54.3 -56.9 7.6 79.8 72.2 32 32 A Y H X S+ 0 0 10 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.909 116.6 46.8 -54.4 -49.4 11.0 78.3 72.9 33 33 A L H < S+ 0 0 60 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.905 111.8 50.6 -64.6 -42.4 12.8 80.9 70.6 34 34 A E H < S+ 0 0 119 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 122.7 31.2 -62.6 -34.9 10.9 83.8 72.1 35 35 A N H < S+ 0 0 91 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.595 97.5 94.3-105.2 -12.9 11.7 82.7 75.6 36 36 A V < - 0 0 28 -4,-2.5 2,-0.3 -5,-0.2 200,-0.0 -0.415 62.3-131.4 -87.1 160.9 15.1 81.0 75.5 37 37 A S > - 0 0 64 -2,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.854 11.8-134.1-111.2 144.8 18.6 82.5 76.1 38 38 A I H > S+ 0 0 85 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.777 105.5 62.6 -67.3 -32.2 21.6 82.0 73.9 39 39 A D H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.865 106.9 44.4 -57.5 -41.1 23.8 81.3 76.9 40 40 A R H > S+ 0 0 61 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.935 112.3 50.3 -75.1 -45.1 21.7 78.3 77.6 41 41 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.928 113.6 47.6 -47.1 -47.9 21.6 77.2 74.0 42 42 A K H X S+ 0 0 112 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.837 109.9 53.0 -66.8 -31.4 25.5 77.6 74.1 43 43 A T H < S+ 0 0 67 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.886 109.8 47.5 -71.1 -39.7 25.5 75.6 77.3 44 44 A I H < S+ 0 0 3 -4,-2.8 10,-0.2 1,-0.2 -2,-0.2 0.928 113.7 47.6 -65.5 -42.1 23.5 72.8 75.7 45 45 A L H < S+ 0 0 10 -4,-2.5 -36,-0.3 -5,-0.2 -2,-0.2 0.775 92.0 111.2 -71.7 -24.8 25.8 72.7 72.6 46 46 A S S >< S- 0 0 15 -4,-1.4 3,-1.9 -5,-0.2 6,-0.2 -0.186 73.3-132.1 -62.8 135.4 29.0 72.8 74.6 47 47 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.1 3,-0.1 3,-0.1 0.797 104.0 71.8 -33.7 -42.7 31.5 70.0 75.0 48 48 A H T 3 S+ 0 0 161 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.260 90.1 56.7 -76.1 2.6 31.3 70.7 78.7 49 49 A T X + 0 0 15 -3,-1.9 3,-1.3 3,-0.2 -1,-0.2 -0.731 63.4 164.9-128.7 81.4 27.8 69.3 79.2 50 50 A D T 3 S+ 0 0 117 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 0.572 71.8 57.6 -83.2 -8.5 28.4 65.8 77.9 51 51 A Y T 3 S+ 0 0 59 1,-0.2 20,-3.0 20,-0.1 2,-0.5 0.379 102.1 65.9 -92.7 1.0 25.2 64.3 79.4 52 52 A W E < S+ B 0 70A 14 -3,-1.3 2,-0.4 18,-0.2 18,-0.2 -0.883 70.1 164.7-131.0 100.7 23.2 67.0 77.4 53 53 A N E - B 0 69A 18 16,-2.7 16,-3.3 -2,-0.5 2,-0.5 -0.956 28.7-150.9-132.5 132.6 23.5 66.5 73.6 54 54 A I E - B 0 68A 2 -2,-0.4 -47,-2.5 -47,-0.4 2,-0.4 -0.852 16.9-157.1 -97.9 126.9 21.6 67.8 70.6 55 55 A F E -AB 6 67A 4 12,-2.7 12,-2.0 -2,-0.5 2,-0.3 -0.825 9.5-163.8-101.6 143.2 21.5 65.6 67.5 56 56 A G E -AB 5 66A 0 -51,-2.7 -51,-2.0 -2,-0.4 2,-0.4 -0.952 14.2-146.4-126.2 150.6 21.0 66.9 64.0 57 57 A A E -AB 4 65A 0 8,-2.3 7,-3.1 -2,-0.3 8,-1.1 -0.933 22.1-159.5-109.1 137.5 20.0 65.5 60.6 58 58 A F E - B 0 63A 4 -55,-2.6 2,-0.5 -2,-0.4 -55,-0.3 -0.911 21.8-161.1-122.5 143.3 21.5 67.1 57.5 59 59 A E S S- 0 0 73 3,-2.0 2,-0.6 -2,-0.4 3,-0.5 -0.897 87.5 -40.4-118.6 96.6 20.5 67.2 53.8 60 60 A D S S- 0 0 151 -2,-0.5 -2,-0.1 1,-0.2 0, 0.0 -0.816 127.9 -28.9 74.9-123.7 23.8 68.2 52.3 61 61 A D S S+ 0 0 148 -2,-0.6 2,-0.5 -3,-0.1 -1,-0.2 -0.060 114.8 117.2-108.8 22.7 25.0 70.8 54.8 62 62 A E - 0 0 77 -3,-0.5 -3,-2.0 2,-0.0 2,-0.8 -0.842 65.6-134.2-105.6 124.5 21.5 71.7 55.7 63 63 A L E +B 58 0A 8 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.612 36.2 164.3 -78.4 113.2 20.2 71.2 59.2 64 64 A V E + 0 0 8 -7,-3.1 25,-1.5 -2,-0.8 2,-0.3 0.530 57.3 10.6-116.0 -10.9 16.8 69.6 58.5 65 65 A A E -BC 57 88A 0 -8,-1.1 -8,-2.3 23,-0.2 2,-0.3 -0.959 60.1-168.1-165.9 153.9 15.8 68.1 61.8 66 66 A T E +BC 56 87A 0 21,-3.2 21,-1.5 -2,-0.3 2,-0.3 -0.995 10.1 171.2-148.1 149.8 16.8 68.2 65.5 67 67 A C E -B 55 0A 0 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.4 -0.919 21.7-138.6-158.3 138.9 16.3 66.4 68.8 68 68 A T E -BC 54 84A 0 16,-3.3 16,-2.4 -2,-0.3 2,-0.6 -0.784 4.6-154.3-102.9 141.6 18.0 66.7 72.1 69 69 A L E -BC 53 83A 4 -16,-3.3 -16,-2.7 -2,-0.4 2,-0.7 -0.958 10.8-173.5-111.2 118.0 19.0 63.9 74.6 70 70 A K E -BC 52 82A 12 12,-3.1 12,-2.1 -2,-0.6 -18,-0.2 -0.868 10.2-155.1-112.7 100.9 19.3 64.9 78.2 71 71 A Q E - C 0 81A 32 -20,-3.0 2,-1.2 -2,-0.7 10,-0.3 -0.442 24.3-114.3 -72.0 148.4 20.6 62.2 80.4 72 72 A X - 0 0 23 8,-2.2 2,-0.6 5,-0.4 8,-0.2 -0.709 30.5-176.7 -81.5 92.1 19.7 62.3 84.1 73 73 A N + 0 0 71 -2,-1.2 2,-0.3 4,-0.1 -1,-0.1 -0.182 43.9 119.7 -84.2 43.3 23.0 62.9 85.9 74 74 A Y S >> S- 0 0 78 -2,-0.6 3,-1.8 1,-0.0 4,-0.5 -0.769 82.1 -94.3 -99.4 157.8 21.3 62.7 89.3 75 75 A V T 34 S+ 0 0 51 -2,-0.3 3,-0.2 1,-0.3 -1,-0.0 0.770 114.3 15.8 -50.1 -48.7 22.6 60.0 91.6 76 76 A G T 34 S+ 0 0 9 1,-0.1 232,-2.3 233,-0.1 -1,-0.3 0.136 114.9 73.4-108.9 23.5 20.2 57.1 91.0 77 77 A K T X4 + 0 0 48 -3,-1.8 3,-1.9 -5,-0.2 -5,-0.4 0.389 55.6 108.0-124.9 5.8 18.6 58.3 87.8 78 78 A C T 3< + 0 0 60 -4,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.473 67.9 70.1 -65.1 -17.9 21.4 57.8 85.2 79 79 A H T 3 S+ 0 0 10 -3,-0.2 34,-2.5 33,-0.1 35,-1.8 0.550 97.5 69.1 -78.9 -7.2 19.7 54.9 83.5 80 80 A K E < + d 0 114A 7 -3,-1.9 -8,-2.2 -8,-0.2 2,-0.3 -0.699 55.6 174.5-113.5 161.6 17.2 57.5 82.2 81 81 A A E -Cd 71 115A 1 33,-1.4 35,-1.5 -10,-0.3 2,-0.4 -0.984 21.9-128.9-158.6 156.6 17.1 60.4 79.7 82 82 A I E -Cd 70 116A 27 -12,-2.1 -12,-3.1 -2,-0.3 2,-0.5 -0.906 9.2-144.4-111.2 139.6 14.7 62.8 78.2 83 83 A L E +Cd 69 117A 2 33,-2.8 35,-0.5 -2,-0.4 2,-0.3 -0.870 34.2 171.1 -91.0 130.6 14.2 63.6 74.5 84 84 A E E +C 68 0A 42 -16,-2.4 -16,-3.3 -2,-0.5 33,-0.0 -0.949 43.5 21.5-138.6 160.2 13.4 67.3 74.1 85 85 A N E - 0 0 18 -2,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.925 60.4-173.8 52.6 56.5 12.9 69.9 71.4 86 86 A N E + 0 0 32 -19,-0.2 2,-0.5 -3,-0.1 -19,-0.2 -0.716 9.3 178.9 -81.0 95.0 12.2 67.6 68.6 87 87 A F E -C 66 0A 5 -21,-1.5 -21,-3.2 -2,-1.3 2,-0.4 -0.907 2.9-178.6-102.7 128.8 12.2 70.2 65.7 88 88 A V E > -C 65 0A 14 -2,-0.5 3,-3.3 -23,-0.3 -23,-0.2 -0.896 27.1-128.3-138.2 109.2 11.6 68.8 62.1 89 89 A K G > S- 0 0 46 -25,-1.5 3,-1.2 -2,-0.4 -70,-0.0 -0.265 99.5 -2.1 -53.9 117.6 11.5 70.8 58.9 90 90 A N G 3 S- 0 0 100 1,-0.3 -1,-0.3 -2,-0.1 3,-0.2 0.580 110.8 -91.7 81.6 4.1 8.3 69.9 57.2 91 91 A N G < - 0 0 74 -3,-3.3 2,-0.7 1,-0.2 -1,-0.3 0.839 62.7-170.8 49.7 32.3 7.5 67.5 59.9 92 92 A D <> - 0 0 62 -3,-1.2 4,-3.2 -28,-0.2 -1,-0.2 -0.421 10.3-168.0 -59.3 105.9 9.3 65.0 57.6 93 93 A E H > S+ 0 0 96 -2,-0.7 4,-2.8 2,-0.3 -1,-0.2 0.836 82.9 54.7 -73.8 -40.2 8.6 61.7 59.3 94 94 A I H > S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.933 114.1 43.9 -61.6 -42.0 11.1 59.6 57.4 95 95 A V H >> S+ 0 0 9 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.961 113.8 48.6 -64.8 -52.0 13.8 62.0 58.5 96 96 A N H 3X S+ 0 0 8 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.880 107.8 56.6 -61.4 -32.5 12.6 62.2 62.0 97 97 A R H 3X S+ 0 0 27 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.813 106.1 48.6 -63.7 -38.6 12.4 58.4 62.2 98 98 A E H X S+ 0 0 52 -4,-2.4 4,-1.0 2,-0.2 3,-0.5 0.943 109.3 52.1 -72.0 -45.2 23.4 56.3 71.0 107 107 A A H ><>S+ 0 0 0 -4,-3.5 5,-2.6 1,-0.2 3,-1.2 0.912 105.8 55.7 -50.3 -48.6 21.4 56.0 74.3 108 108 A K H ><5S+ 0 0 119 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.819 103.6 55.4 -54.4 -35.0 22.0 52.2 74.3 109 109 A E H <<5S+ 0 0 114 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.728 107.3 48.8 -73.5 -23.3 25.7 52.9 74.1 110 110 A Q T <<5S- 0 0 70 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.332 119.8-109.0 -88.4 4.8 25.5 55.1 77.2 111 111 A N T < 5 + 0 0 124 -3,-1.1 2,-0.6 1,-0.3 -3,-0.2 0.852 62.1 160.3 59.0 37.5 23.5 52.3 79.1 112 112 A I < + 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -32,-0.2 -0.828 16.2 178.6 -87.3 130.7 20.4 54.4 79.0 113 113 A E + 0 0 32 -34,-2.5 49,-1.7 -2,-0.6 48,-1.0 0.640 62.9 39.0-105.5 -24.2 17.5 51.9 79.5 114 114 A T E -dE 80 160A 14 -35,-1.8 -33,-1.4 46,-0.2 2,-0.4 -0.988 58.0-171.3-137.9 134.8 14.6 54.3 79.4 115 115 A L E -dE 81 159A 0 44,-2.7 44,-2.9 -2,-0.4 2,-0.3 -0.945 7.5-169.9-120.0 150.9 13.8 57.4 77.4 116 116 A X E -dE 82 158A 24 -35,-1.5 -33,-2.8 -2,-0.4 2,-0.3 -0.955 3.8-176.0-135.4 150.6 10.9 59.8 77.9 117 117 A I E -dE 83 157A 8 40,-1.9 40,-3.0 -2,-0.3 2,-0.5 -0.988 21.2-133.3-145.6 145.1 9.4 62.6 75.9 118 118 A A E - 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0 0 39 45,-0.1 3,-2.6 -2,-0.1 38,-0.2 -0.903 49.8 -70.6-153.5 176.0 23.7 78.4 102.4 171 9 B Q T 3 S+ 0 0 91 36,-0.8 3,-0.4 1,-0.3 4,-0.2 0.534 122.4 71.2 -57.9 -4.7 27.4 77.4 101.8 172 10 B N T 3 S+ 0 0 135 35,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.386 96.1 52.7 -83.5 -0.2 27.9 78.3 105.5 173 11 B D <> + 0 0 10 -3,-2.6 4,-2.3 2,-0.1 5,-0.2 0.330 68.2 110.4-119.9 5.9 26.0 75.2 106.5 174 12 B L H > S+ 0 0 22 -3,-0.4 4,-1.3 1,-0.2 -2,-0.1 0.901 81.3 52.5 -48.5 -46.8 27.9 72.6 104.4 175 13 B D H >> S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 3,-1.4 0.969 111.0 43.3 -50.9 -65.5 29.2 71.1 107.7 176 14 B S H 3> S+ 0 0 45 1,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.796 109.9 61.0 -50.4 -33.4 25.9 70.8 109.5 177 15 B Y H 3X S+ 0 0 3 -4,-2.3 4,-0.7 2,-0.2 -1,-0.3 0.735 102.0 47.8 -77.7 -25.8 24.4 69.4 106.3 178 16 B I H S- 0 0 77 -3,-0.4 4,-1.2 1,-0.1 -1,-0.3 -0.333 88.4-106.6 -76.0 159.9 16.4 52.9 103.6 189 27 B E H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.747 119.4 63.0 -62.7 -28.3 19.2 51.6 101.4 190 28 B W H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.984 103.1 48.9 -50.5 -59.8 18.6 54.6 99.0 191 29 B D H > S+ 0 0 14 1,-0.3 4,-1.1 -3,-0.2 -2,-0.2 0.774 112.2 49.2 -56.0 -32.9 19.5 56.9 101.8 192 30 B R H X S+ 0 0 126 -4,-1.2 4,-1.8 2,-0.2 -1,-0.3 0.857 112.0 47.1 -73.7 -39.3 22.7 54.9 102.5 193 31 B Y H X S+ 0 0 74 -4,-2.2 4,-2.4 -3,-0.5 -2,-0.2 0.860 105.0 59.1 -73.1 -39.7 23.7 54.9 98.8 194 32 B Y H < S+ 0 0 22 -4,-2.7 3,-0.3 2,-0.2 -1,-0.2 0.955 109.8 44.8 -48.9 -54.3 23.1 58.6 98.3 195 33 B L H >< S+ 0 0 56 -4,-1.1 3,-0.7 1,-0.2 -2,-0.2 0.940 111.5 53.7 -52.4 -53.9 25.7 59.2 101.1 196 34 B E H 3< S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 123.4 22.4 -57.9 -36.2 28.1 56.6 99.6 197 35 B N T 3< S+ 0 0 113 -4,-2.4 2,-0.3 -3,-0.3 -1,-0.3 -0.501 86.7 107.9-142.3 73.5 28.1 58.2 96.2 198 36 B V < - 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0 0 0 -5,-3.2 -1,-0.2 1,-0.2 -32,-0.2 -0.668 19.3-168.4 -75.6 124.0 19.1 48.2 42.4 441 113 C E + 0 0 36 -34,-2.3 48,-3.3 -2,-0.5 49,-0.8 0.763 63.3 27.6 -90.6 -28.9 17.3 51.4 41.6 442 114 C T E -pQ 408 488C 19 -35,-1.7 -33,-1.7 46,-0.2 2,-0.4 -0.997 56.6-162.7-140.7 144.4 13.7 50.4 42.2 443 115 C L E -pQ 409 487C 0 44,-2.4 44,-3.0 -2,-0.4 2,-0.4 -0.946 12.1-169.2-120.3 142.1 11.8 47.9 44.3 444 116 C X E -pQ 410 486C 24 -35,-1.5 -33,-2.4 -2,-0.4 2,-0.4 -0.987 3.1-172.6-131.8 142.4 8.2 46.9 43.6 445 117 C I E -pQ 411 485C 9 40,-1.5 40,-3.3 -2,-0.4 2,-0.4 -0.989 18.9-135.2-136.4 143.0 5.9 44.9 45.8 446 118 C A E - Q 0 484C 30 -35,-0.5 2,-0.4 -2,-0.4 38,-0.2 -0.848 27.1-171.7 -94.0 130.9 2.3 43.5 45.0 447 119 C I E - Q 0 483C 12 36,-3.2 36,-3.3 -2,-0.4 -2,-0.0 -0.962 34.2 -94.4-129.2 141.6 -0.2 44.1 47.8 448 120 C A E > - Q 0 482C 23 -2,-0.4 3,-2.4 34,-0.2 34,-0.3 -0.309 40.8-124.0 -52.4 124.8 -3.7 42.8 48.3 449 121 C S T 3 S+ 0 0 26 32,-2.4 -1,-0.1 1,-0.3 33,-0.1 0.747 107.1 39.1 -40.7 -36.8 -6.0 45.5 46.9 450 122 C N T 3 S+ 0 0 106 31,-0.3 2,-1.5 1,-0.1 -1,-0.3 0.429 82.9 113.5-105.5 0.4 -8.0 46.0 50.1 451 123 C N <> + 0 0 20 -3,-2.4 4,-1.8 1,-0.2 -1,-0.1 -0.593 32.9 167.7 -78.9 88.9 -5.1 45.7 52.5 452 124 C I H > S+ 0 0 108 -2,-1.5 4,-2.7 2,-0.2 5,-0.2 0.795 72.2 61.4 -73.1 -32.3 -5.0 49.2 53.9 453 125 C S H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.944 107.4 44.6 -59.3 -46.9 -2.6 48.2 56.7 454 126 C A H > S+ 0 0 13 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.924 111.9 52.0 -65.5 -43.0 -0.0 47.2 54.1 455 127 C K H X S+ 0 0 54 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.912 113.4 44.4 -60.4 -42.0 -0.6 50.3 52.1 456 128 C V H X S+ 0 0 96 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.970 114.6 48.8 -67.0 -54.0 -0.1 52.6 55.1 457 129 C F H X S+ 0 0 13 -4,-2.8 4,-0.9 1,-0.2 3,-0.4 0.939 115.4 42.6 -46.8 -58.3 2.9 50.7 56.3 458 130 C F H X>S+ 0 0 7 -4,-3.5 5,-2.9 1,-0.3 4,-0.9 0.830 110.8 56.9 -66.6 -26.4 4.6 50.8 52.9 459 131 C S H ><5S+ 0 0 77 -4,-2.1 3,-0.6 -5,-0.3 -1,-0.3 0.874 101.9 56.4 -67.8 -34.3 3.6 54.4 52.5 460 132 C S H 3<5S+ 0 0 19 -4,-2.3 -1,-0.2 -3,-0.4 -2,-0.2 0.749 108.2 48.2 -72.9 -19.7 5.4 55.2 55.7 461 133 C I H 3<5S- 0 0 14 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.576 129.3 -90.6 -90.2 -14.1 8.5 53.7 54.2 462 134 C G T <<5S+ 0 0 24 -4,-0.9 2,-0.4 -3,-0.6 26,-0.3 0.393 79.6 136.9 119.6 1.1 8.3 55.5 50.8 463 135 C F < - 0 0 2 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.3 -0.665 28.5-174.9 -83.3 128.8 6.3 53.1 48.7 464 136 C E E -R 486 0C 138 22,-2.0 22,-1.9 -2,-0.4 2,-0.0 -0.934 33.4 -97.0-121.0 148.5 3.6 54.6 46.5 465 137 C N E +R 485 0C 82 -2,-0.4 20,-0.3 20,-0.2 3,-0.1 -0.356 34.8 178.1 -68.0 141.0 1.1 52.7 44.4 466 138 C L E - 0 0 53 18,-3.6 2,-0.3 1,-0.4 164,-0.3 0.670 61.4 -11.0-111.1 -36.5 2.0 52.3 40.6 467 139 C A E -R 484 0C 16 17,-1.4 17,-3.0 162,-0.1 2,-0.5 -0.975 52.6-122.3-169.0 150.8 -0.9 50.3 39.4 468 140 C F E -R 483 0C 93 -2,-0.3 2,-0.6 160,-0.3 15,-0.2 -0.848 22.6-161.3 -96.6 133.2 -3.9 48.2 40.1 469 141 C E E > -R 482 0C 11 13,-3.5 13,-1.8 -2,-0.5 3,-1.3 -0.820 4.6-156.3-122.2 92.7 -3.9 44.6 38.8 470 142 C K E 3 S+ 0 0 143 -2,-0.6 11,-0.1 1,-0.3 13,-0.0 -0.411 85.8 6.2 -53.6 137.3 -7.4 43.0 38.6 471 143 C N E 3 S+ 0 0 53 1,-0.1 -1,-0.3 -2,-0.1 10,-0.2 0.844 80.3 150.8 51.1 40.7 -7.0 39.2 38.7 472 144 C A E < + 0 0 0 -3,-1.3 2,-0.3 8,-1.0 97,-0.2 0.791 67.8 33.6 -67.6 -29.8 -3.2 39.5 39.3 473 145 C S E -R 480 0C 1 7,-1.6 7,-1.5 -4,-0.2 2,-0.3 -0.953 62.1-174.5-132.5 150.6 -3.5 36.2 41.2 474 146 C K E +R 479 0C 44 92,-2.4 2,-0.5 -2,-0.3 5,-0.2 -0.887 6.5 173.3-147.7 106.4 -5.5 33.0 40.9 475 147 C I E > S-R 478 0C 17 3,-1.1 3,-1.5 -2,-0.3 2,-0.7 -0.981 82.1 -22.4-113.2 121.2 -5.5 30.0 43.3 476 148 C G T 3 S- 0 0 72 -2,-0.5 -2,-0.0 1,-0.2 90,-0.0 -0.795 125.1 -49.9 80.1-117.6 -8.2 27.5 42.3 477 149 C N T 3 S+ 0 0 128 -2,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.039 110.2 120.6-128.5 23.2 -10.4 29.8 40.4 478 150 C E E < - R 0 475C 97 -3,-1.5 -3,-1.1 2,-0.0 2,-0.2 -0.678 52.0-152.5 -74.9 135.3 -10.4 32.4 43.1 479 151 C Y E - R 0 474C 87 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.658 8.0-160.1-105.7 165.5 -9.0 35.7 41.8 480 152 C F E - R 0 473C 58 -7,-1.5 -7,-1.6 -2,-0.2 -8,-1.0 -0.931 11.3-141.6-148.5 126.6 -7.3 38.4 43.8 481 153 C D E - 0 0 64 -2,-0.3 -32,-2.4 -10,-0.2 2,-0.3 -0.650 26.4-174.9 -85.2 140.9 -6.8 42.0 42.9 482 154 C E E -QR 448 469C 26 -13,-1.8 -13,-3.5 -2,-0.3 2,-0.4 -0.914 19.3-138.6-132.4 157.0 -3.4 43.4 43.9 483 155 C N E -QR 447 468C 13 -36,-3.3 -36,-3.2 -2,-0.3 2,-0.7 -0.975 16.8-136.5-116.6 136.6 -1.8 46.8 43.8 484 156 C W E -QR 446 467C 48 -17,-3.0 -18,-3.6 -2,-0.4 -17,-1.4 -0.835 20.5-165.6 -91.8 116.8 1.8 47.2 42.7 485 157 C L E -QR 445 465C 4 -40,-3.3 -40,-1.5 -2,-0.7 2,-0.3 -0.623 3.9-158.8 -93.0 162.5 3.7 49.6 44.9 486 158 C I E -QR 444 464C 42 -22,-1.9 -22,-2.0 -42,-0.2 2,-0.4 -0.999 8.8-167.4-147.9 140.3 7.1 51.0 43.9 487 159 C Y E -Q 443 0C 45 -44,-3.0 -44,-2.4 -2,-0.3 2,-0.4 -0.992 15.3-140.4-130.0 135.4 10.0 52.6 45.8 488 160 C S E -Q 442 0C 63 -2,-0.4 -46,-0.2 -26,-0.3 -47,-0.1 -0.762 10.6-166.5 -96.8 139.2 12.9 54.4 44.3 489 161 C T 0 0 29 -48,-3.3 -47,-0.1 -2,-0.4 -1,-0.1 0.714 360.0 360.0 -92.6 -25.1 16.4 54.0 45.7 490 162 C T 0 0 147 -49,-0.8 -1,-0.2 -3,-0.1 -48,-0.1 0.859 360.0 360.0 -42.1 360.0 17.4 57.1 43.7 491 !* 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 0.0 492 2 D N 0 0 172 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 48.0 2.4 28.5 4.8 493 3 D N E -S 548 0D 92 55,-1.6 55,-2.1 57,-0.2 2,-0.2 -0.998 360.0-138.8-158.2 149.9 2.5 28.0 8.6 494 4 D I E +S 547 0D 42 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.559 38.6 161.1 -93.4 168.1 3.2 29.3 12.1 495 5 D R E -S 546 0D 36 51,-0.9 51,-2.0 -2,-0.2 2,-0.0 -0.978 41.9 -70.0-177.1 163.4 4.9 27.0 14.7 496 6 D L E -S 545 0D 111 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.359 49.3-127.7 -58.7 146.2 6.8 26.4 17.9 497 7 D L - 0 0 11 47,-2.2 47,-0.3 39,-0.1 2,-0.3 -0.826 27.1-167.6 -97.3 140.0 10.4 27.5 17.7 498 8 D N > - 0 0 99 -2,-0.4 3,-2.7 45,-0.1 4,-0.3 -0.865 39.7 -90.7-124.9 168.7 13.2 25.0 18.7 499 9 D Q T 3 S+ 0 0 50 36,-0.5 37,-0.1 1,-0.3 36,-0.1 0.437 124.8 51.8 -58.5 -1.6 17.0 25.2 19.4 500 10 D N T > S+ 0 0 78 35,-0.1 3,-0.8 2,-0.1 4,-0.4 0.542 94.9 67.6-106.4 -13.5 17.9 24.5 15.7 501 11 D D T <> S+ 0 0 20 -3,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.389 78.4 94.1 -76.6 0.3 15.6 27.3 14.5 502 12 D L H 3> S+ 0 0 35 -4,-0.3 4,-3.3 2,-0.2 5,-0.3 0.858 76.0 56.0 -56.5 -44.5 18.3 29.3 16.3 503 13 D D H <> S+ 0 0 75 -3,-0.8 4,-1.7 2,-0.2 5,-0.2 0.988 113.3 41.2 -51.2 -60.6 20.2 29.8 13.0 504 14 D S H >> S+ 0 0 34 -4,-0.4 4,-2.2 2,-0.2 3,-0.7 0.956 119.7 43.3 -50.9 -63.3 17.0 31.3 11.5 505 15 D Y H 3X S+ 0 0 7 -4,-3.1 4,-1.7 1,-0.3 5,-0.3 0.903 112.5 50.7 -53.9 -52.3 16.1 33.4 14.6 506 16 D I H 3< S+ 0 0 53 -4,-3.3 4,-0.4 1,-0.3 -1,-0.3 0.769 119.9 39.3 -59.5 -26.2 19.6 34.6 15.4 507 17 D E H << S+ 0 0 65 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.2 0.692 107.4 63.9 -88.2 -25.7 19.8 35.7 11.7 508 18 D L H < S+ 0 0 30 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.752 107.2 43.0 -73.5 -26.0 16.1 36.9 11.6 509 19 D X S >< S+ 0 0 4 -4,-1.7 3,-2.9 -5,-0.2 -1,-0.2 0.800 96.9 78.5 -80.6 -34.6 17.0 39.6 14.1 510 20 D K T 3 S+ 0 0 68 -4,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.413 76.7 73.4 -63.7 1.5 20.2 40.4 12.3 511 21 D F T 3 S- 0 0 56 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.704 81.9-158.7 -80.9 -24.1 18.3 42.4 9.7 512 22 D G < + 0 0 6 -3,-2.9 5,-0.3 1,-0.1 7,-0.2 0.286 48.6 132.6 66.5 -10.3 17.8 45.1 12.3 513 23 D H + 0 0 42 1,-0.1 2,-1.8 3,-0.1 68,-0.2 0.592 31.7 104.6 -54.4 -19.3 14.8 46.3 10.2 514 24 D H > - 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