==== 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/DNA 23-AUG-05 2ASD . COMPND 2 MOLECULE: 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))- . SOURCE 2 SYNTHETIC: YES; . AUTHOR O.RECHKOBLIT,L.MALININA,Y.CHENG,V.KURYAVYI,S.BROYDE,N.E.GEAC . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 37 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 3 0 0 2 2 3 3 4 0 0 0 1 1 0 2 4 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 . 4 0 0 2 4 2 2 2 2 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 4 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 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 G 0 0 77 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 166.3 24.9 -3.2 -6.8 2 2 A I - 0 0 20 113,-0.1 109,-1.5 2,-0.0 110,-0.6 -0.999 360.0-164.9-133.1 132.3 25.2 -0.6 -4.0 3 3 A V E -AB 110 145A 8 142,-2.9 142,-1.8 -2,-0.4 2,-0.5 -0.948 4.6-159.7-120.1 135.1 22.2 0.7 -2.0 4 4 A L E -AB 109 144A 0 105,-2.8 105,-2.9 -2,-0.4 2,-0.4 -0.976 11.5-165.8-117.4 122.8 22.2 3.8 0.2 5 5 A F E -AB 108 143A 0 138,-3.3 138,-2.4 -2,-0.5 2,-0.4 -0.892 3.5-161.4-115.4 134.3 19.5 4.0 2.9 6 6 A V E +AB 107 142A 0 101,-2.6 101,-1.6 -2,-0.4 2,-0.4 -0.966 9.1 178.9-120.2 131.6 18.5 7.2 4.8 7 7 A D E -AB 106 141A 8 134,-2.2 134,-2.7 -2,-0.4 99,-0.2 -0.982 27.7-129.6-134.7 114.8 16.6 7.1 8.1 8 8 A F E > - B 0 140A 2 97,-2.2 3,-0.7 -2,-0.4 132,-0.3 -0.399 30.2-108.3 -72.3 142.3 15.8 10.5 9.7 9 9 A D T 3 S- 0 0 2 130,-2.1 5,-0.3 1,-0.2 130,-0.1 -0.516 82.5 -28.7 -79.2 140.0 16.8 10.8 13.4 10 10 A Y T 3> S- 0 0 26 -2,-0.2 4,-2.5 3,-0.1 3,-0.5 0.763 87.2-167.0 18.8 59.7 14.0 10.8 16.1 11 11 A F H <> + 0 0 8 -3,-0.7 4,-2.3 1,-0.3 5,-0.2 0.745 67.3 39.3 -52.3 -57.8 12.0 12.4 13.3 12 12 A Y H > S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.908 121.0 46.0 -61.8 -41.8 8.8 13.9 14.7 13 13 A A H > S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.879 111.0 53.1 -65.9 -39.3 10.6 15.2 17.8 14 14 A Q H X S+ 0 0 7 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.885 106.3 52.6 -66.2 -37.4 13.4 16.6 15.8 15 15 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.937 108.5 50.5 -61.4 -45.8 11.0 18.5 13.6 16 16 A E H X S+ 0 0 11 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.859 109.5 52.2 -59.7 -36.1 9.4 20.0 16.7 17 17 A E H < S+ 0 0 10 -4,-1.8 -1,-0.2 2,-0.2 7,-0.2 0.846 108.5 49.9 -67.6 -37.3 12.9 21.0 17.9 18 18 A V H < S+ 0 0 58 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 113.2 45.7 -68.2 -38.1 13.7 22.7 14.5 19 19 A L H < S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.636 130.7 24.3 -81.2 -15.4 10.4 24.7 14.7 20 20 A N S >< S- 0 0 76 -4,-1.0 3,-1.7 -5,-0.2 -1,-0.3 -0.683 71.5-171.4-149.0 88.3 11.1 25.5 18.4 21 21 A P G > S+ 0 0 101 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.617 75.2 75.8 -61.3 -18.6 14.9 25.4 19.2 22 22 A S G 3 S+ 0 0 83 1,-0.2 4,-0.1 3,-0.1 -5,-0.1 0.641 83.3 70.6 -67.7 -15.1 14.5 25.8 23.0 23 23 A L G X S+ 0 0 12 -3,-1.7 3,-1.3 -6,-0.2 -1,-0.2 0.666 74.2 108.4 -72.1 -20.9 13.4 22.1 23.2 24 24 A K T < S+ 0 0 136 -3,-1.3 -10,-0.0 1,-0.2 0, 0.0 -0.281 78.3 20.7 -69.3 145.6 16.9 20.8 22.3 25 25 A G T 3 S+ 0 0 53 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.124 111.4 83.5 85.9 -20.7 18.9 19.0 25.1 26 26 A K S < S- 0 0 91 -3,-1.3 24,-0.2 -4,-0.1 23,-0.2 -0.891 93.6 -82.7-120.0 149.1 15.7 18.3 27.2 27 27 A P - 0 0 32 0, 0.0 45,-2.1 0, 0.0 2,-0.4 -0.208 44.2-177.0 -57.4 125.0 13.2 15.5 26.9 28 28 A V E -e 72 0B 0 43,-0.2 19,-2.0 45,-0.0 2,-0.5 -0.986 5.2-167.6-123.3 132.2 10.5 16.0 24.3 29 29 A V E -eF 73 46B 0 43,-2.7 45,-2.2 -2,-0.4 2,-0.6 -0.970 10.1-151.6-127.6 115.0 7.7 13.4 23.8 30 30 A V E -eF 74 45B 0 15,-2.8 14,-2.8 -2,-0.5 15,-1.3 -0.786 25.7-163.7 -89.7 124.0 5.4 13.5 20.8 31 31 A C E -eF 75 43B 0 43,-3.1 45,-2.5 -2,-0.6 2,-0.7 -0.798 27.2-144.5-119.2 147.3 2.0 12.1 21.7 32 32 A V E - F 0 42B 65 10,-3.2 10,-1.6 -2,-0.3 2,-0.5 -0.912 25.1-159.5-107.3 99.5 -1.1 10.7 20.0 33 33 A F E - F 0 41B 80 -2,-0.7 8,-0.2 8,-0.2 5,-0.0 -0.724 9.1-163.8 -83.4 122.6 -4.0 11.8 22.2 34 34 A S - 0 0 35 6,-1.6 216,-0.2 -2,-0.5 -1,-0.1 0.701 33.7-125.5 -79.3 -22.1 -7.1 9.7 21.6 35 35 A G S S+ 0 0 42 5,-0.6 6,-0.1 2,-0.4 -2,-0.1 0.296 77.4 118.3 92.4 -8.0 -9.4 12.2 23.3 36 36 A R S S- 0 0 25 4,-0.1 2,-0.2 215,-0.0 5,-0.0 0.971 88.7 -19.7 -48.8 -69.1 -10.8 9.6 25.8 37 37 A F S > S- 0 0 154 1,-0.0 3,-0.9 0, 0.0 2,-0.4 -0.657 95.5 -62.5-121.8-177.0 -9.6 11.3 28.9 38 38 A E T 3 S+ 0 0 172 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.639 125.0 2.8 -62.9 124.7 -7.0 13.9 29.6 39 39 A D T 3 S+ 0 0 44 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.548 88.2 144.7 72.2 11.6 -3.6 12.3 28.6 40 40 A S < + 0 0 17 -3,-0.9 -6,-1.6 21,-0.1 -5,-0.6 -0.674 40.9 67.6 -75.9 132.6 -5.1 9.0 27.3 41 41 A G E S-F 33 0B 27 -2,-0.4 20,-2.1 -8,-0.2 21,-0.4 -0.956 73.4 -76.4 153.0-167.2 -3.0 7.9 24.3 42 42 A A E -FG 32 60B 38 -10,-1.6 -10,-3.2 -2,-0.3 2,-0.4 -0.904 35.6-107.0-131.2 155.5 0.4 6.7 23.1 43 43 A V E -F 31 0B 3 16,-2.2 15,-2.9 -2,-0.3 -12,-0.3 -0.692 20.0-169.4 -80.2 126.3 3.9 8.1 22.4 44 44 A A E S- 0 0 29 -14,-2.8 2,-0.3 -2,-0.4 -1,-0.2 0.891 70.5 -39.5 -76.7 -48.0 4.6 8.4 18.6 45 45 A T E -F 30 0B 17 -15,-1.3 -15,-2.8 11,-0.1 -1,-0.4 -0.970 52.3-147.0-165.4 166.7 8.3 9.1 19.5 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.969 29.8-103.8-136.1 155.6 10.6 10.9 21.9 47 47 A N >> - 0 0 0 -19,-2.0 4,-2.2 -2,-0.3 3,-0.9 -0.274 46.2 -97.3 -70.3 167.2 14.0 12.6 21.5 48 48 A Y H 3> S+ 0 0 50 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.753 121.1 63.5 -65.5 -22.9 17.0 10.7 22.8 49 49 A E H 34 S+ 0 0 52 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.868 111.7 35.2 -67.0 -41.4 17.0 12.7 26.1 50 50 A A H X4>S+ 0 0 0 -3,-0.9 5,-1.6 -22,-0.2 3,-1.1 0.820 113.8 60.8 -75.8 -34.4 13.5 11.3 27.0 51 51 A R H ><5S+ 0 0 76 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.722 90.9 68.0 -67.1 -23.3 14.4 7.9 25.4 52 52 A K T 3<5S+ 0 0 88 -4,-1.3 595,-2.4 1,-0.2 -1,-0.3 0.834 102.2 47.0 -63.8 -32.0 17.4 7.5 27.8 53 53 A F T < 5S- 0 0 40 -3,-1.1 596,-0.4 -4,-0.3 -1,-0.2 0.297 130.1 -91.7 -96.8 7.3 14.8 7.1 30.6 54 54 A G T < 5S+ 0 0 15 -3,-1.0 2,-1.2 1,-0.2 -3,-0.2 0.460 79.8 137.0 101.9 4.1 12.6 4.6 28.8 55 55 A V < + 0 0 0 -5,-1.6 2,-0.2 -8,-0.1 -1,-0.2 -0.725 33.4 147.4 -83.8 96.9 10.1 6.9 27.1 56 56 A K > - 0 0 118 -2,-1.2 3,-1.4 1,-0.1 -13,-0.3 -0.775 50.7 -58.6-129.3 173.9 9.9 5.3 23.6 57 57 A A T 3 S+ 0 0 57 -2,-0.2 -13,-0.2 1,-0.2 -1,-0.1 -0.151 112.4 21.2 -55.6 138.1 7.4 4.8 20.8 58 58 A G T 3 S+ 0 0 58 -15,-2.9 -1,-0.2 1,-0.3 -14,-0.1 0.089 87.6 120.7 97.8 -20.5 4.2 2.8 21.5 59 59 A I S < S- 0 0 17 -3,-1.4 -16,-2.2 1,-0.1 -1,-0.3 -0.410 72.5 -92.7 -80.5 152.3 4.0 3.2 25.3 60 60 A P B > -G 42 0B 69 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.341 27.2-127.0 -58.3 142.8 1.0 4.8 27.0 61 61 A I H > S+ 0 0 0 -20,-2.1 4,-2.1 1,-0.2 5,-0.2 0.822 111.4 59.8 -59.3 -33.0 1.3 8.5 27.7 62 62 A V H > S+ 0 0 77 -21,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.877 103.7 48.9 -64.2 -40.2 0.5 7.7 31.3 63 63 A E H > S+ 0 0 95 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.877 111.4 51.3 -63.9 -38.1 3.5 5.5 31.6 64 64 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.857 107.7 50.6 -69.2 -36.9 5.7 8.2 30.1 65 65 A K H < S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.770 106.5 56.1 -73.7 -25.3 4.5 10.9 32.5 66 66 A K H < S+ 0 0 152 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.853 114.1 39.9 -70.0 -36.2 5.2 8.6 35.5 67 67 A I H < S+ 0 0 14 -4,-1.3 584,-0.5 1,-0.2 585,-0.4 0.916 137.1 13.4 -79.6 -45.8 8.8 8.3 34.3 68 68 A L >< + 0 0 19 -4,-2.6 3,-1.2 -5,-0.1 -1,-0.2 -0.703 64.9 166.8-133.7 79.9 9.3 11.9 33.2 69 69 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.664 79.0 54.0 -69.5 -15.7 6.5 14.1 34.6 70 70 A N T 3 S+ 0 0 146 2,-0.1 -5,-0.1 -5,-0.0 3,-0.0 0.349 83.4 110.7-101.4 3.1 8.5 17.3 33.7 71 71 A A S < S- 0 0 14 -3,-1.2 2,-0.6 1,-0.1 -43,-0.2 -0.225 79.2 -98.9 -69.2 164.6 9.1 16.6 30.0 72 72 A V E -e 28 0B 38 -45,-2.1 -43,-2.7 -49,-0.1 2,-0.7 -0.805 35.3-160.4 -86.1 122.6 7.5 18.6 27.2 73 73 A Y E -e 29 0B 34 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.932 12.9-175.8-108.7 109.2 4.5 16.6 25.9 74 74 A L E -e 30 0B 35 -45,-2.2 -43,-3.1 -2,-0.7 2,-0.2 -0.861 26.7-116.1-106.8 141.5 3.5 17.8 22.4 75 75 A P E -e 31 0B 72 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.492 42.0 -99.0 -71.4 143.3 0.6 16.6 20.3 76 76 A M - 0 0 59 -45,-2.5 2,-0.4 -2,-0.2 3,-0.1 -0.473 32.4-168.3 -66.5 127.1 1.5 14.9 17.1 77 77 A R >> + 0 0 96 -2,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.660 13.2 172.3-115.2 71.0 1.3 17.2 14.1 78 78 A K H 3> S+ 0 0 90 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.781 72.1 58.2 -52.8 -36.6 1.6 14.6 11.4 79 79 A E H 3> S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.880 106.2 49.3 -66.8 -40.7 0.8 17.1 8.5 80 80 A V H <> S+ 0 0 40 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.909 112.7 47.2 -60.9 -45.5 3.8 19.3 9.5 81 81 A Y H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.843 110.0 54.1 -68.2 -32.3 6.1 16.2 9.6 82 82 A Q H X S+ 0 0 80 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.909 108.2 48.3 -68.8 -41.9 4.8 15.0 6.3 83 83 A Q H X S+ 0 0 133 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.903 112.9 47.5 -67.1 -39.8 5.6 18.3 4.6 84 84 A V H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.931 112.7 50.9 -64.4 -43.8 9.1 18.4 6.0 85 85 A S H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.927 106.9 52.4 -57.4 -49.4 9.5 14.8 5.0 86 86 A S H X S+ 0 0 54 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.848 108.7 51.6 -58.1 -36.9 8.4 15.5 1.4 87 87 A R H X S+ 0 0 110 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.926 111.1 46.9 -65.4 -45.2 11.0 18.3 1.2 88 88 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.903 109.6 53.6 -64.6 -42.1 13.8 16.1 2.3 89 89 A M H X S+ 0 0 5 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.883 105.1 55.5 -58.2 -38.7 12.7 13.3 -0.1 90 90 A N H < S+ 0 0 93 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.839 105.1 52.5 -63.9 -32.6 12.9 15.9 -2.9 91 91 A L H >< S+ 0 0 33 -4,-1.3 3,-1.0 -3,-0.3 4,-0.2 0.889 107.1 52.5 -66.6 -39.3 16.5 16.6 -1.9 92 92 A L H >X S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 4,-0.7 0.789 95.2 69.4 -67.6 -30.1 17.3 12.9 -2.1 93 93 A R T 3< S+ 0 0 117 -4,-1.4 3,-0.4 1,-0.3 -1,-0.2 0.749 89.3 65.2 -58.4 -27.0 15.9 12.7 -5.7 94 94 A E T <4 S+ 0 0 158 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.672 99.3 51.7 -69.3 -20.0 18.9 14.8 -6.9 95 95 A Y T <4 S+ 0 0 29 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.620 120.9 13.1 -97.3 -17.0 21.3 12.0 -6.0 96 96 A S < - 0 0 5 -4,-0.7 -1,-0.3 -3,-0.4 15,-0.1 -0.966 49.1-148.3-157.0 146.6 19.7 9.1 -7.8 97 97 A E S S+ 0 0 153 -2,-0.3 2,-0.9 13,-0.2 -1,-0.1 0.758 94.5 69.5 -78.9 -26.3 16.9 8.5 -10.4 98 98 A K + 0 0 110 12,-0.4 12,-2.3 -3,-0.1 2,-0.4 -0.817 68.4 153.5 -98.5 101.7 16.2 5.2 -8.7 99 99 A I E -C 109 0A 15 -2,-0.9 2,-0.5 10,-0.2 10,-0.2 -0.987 29.7-161.5-134.2 137.3 14.6 6.0 -5.3 100 100 A E E -C 108 0A 3 8,-2.7 8,-2.3 -2,-0.4 2,-0.8 -0.940 10.8-153.2-120.5 104.8 12.2 4.0 -3.0 101 101 A I E +C 107 0A 52 -2,-0.5 6,-0.3 6,-0.2 139,-0.2 -0.711 17.9 178.1 -75.4 112.2 10.4 6.1 -0.4 102 102 A A E - 0 0 20 4,-1.4 2,-0.3 -2,-0.8 5,-0.2 0.708 56.5 -25.5 -92.7 -26.0 9.7 3.4 2.3 103 103 A S E > S-C 106 0A 40 3,-1.4 3,-0.6 0, 0.0 -1,-0.2 -0.928 85.3 -61.9-166.1-171.4 8.0 5.6 4.9 104 104 A I T 3 S+ 0 0 32 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.726 134.6 19.9 -61.7 -21.1 7.6 9.1 6.3 105 105 A D T 3 S+ 0 0 31 -97,-0.0 -97,-2.2 -17,-0.0 2,-0.4 0.182 111.3 79.0-138.3 21.9 11.3 9.1 7.2 106 106 A E E < +AC 7 103A 25 -3,-0.6 -4,-1.4 -99,-0.2 -3,-1.4 -0.986 40.9 167.1-134.9 144.8 13.0 6.4 5.1 107 107 A A E -AC 6 101A 0 -101,-1.6 -101,-2.6 -2,-0.4 2,-0.4 -0.981 21.0-146.3-150.8 145.1 14.3 6.1 1.5 108 108 A Y E -AC 5 100A 16 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.5 -0.934 13.7-162.9-107.8 134.5 16.5 3.7 -0.4 109 109 A L E -AC 4 99A 0 -105,-2.9 -105,-2.8 -2,-0.4 2,-1.0 -0.973 14.5-144.7-115.9 126.5 18.6 5.0 -3.3 110 110 A D E +A 3 0A 34 -12,-2.3 -12,-0.4 -2,-0.5 3,-0.3 -0.833 28.4 168.3 -85.8 103.4 20.1 2.6 -5.8 111 111 A I >> + 0 0 0 -109,-1.5 4,-1.6 -2,-1.0 3,-1.2 0.165 33.9 119.1-104.1 19.0 23.5 4.4 -6.4 112 112 A S T 34 S+ 0 0 39 -110,-0.6 -1,-0.2 1,-0.3 -109,-0.1 0.817 82.9 39.9 -52.6 -40.0 25.1 1.5 -8.4 113 113 A D T 34 S+ 0 0 143 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.552 112.5 58.0 -87.0 -11.5 25.6 3.7 -11.5 114 114 A K T <4 S+ 0 0 104 -3,-1.2 2,-0.3 1,-0.1 -2,-0.2 0.706 110.7 32.4 -91.1 -25.5 26.5 6.8 -9.5 115 115 A V < - 0 0 17 -4,-1.6 -1,-0.1 -113,-0.1 3,-0.1 -0.951 58.1-148.3-137.3 155.9 29.6 5.4 -7.6 116 116 A R S S- 0 0 213 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.674 78.2 -4.2 -96.2 -23.7 32.4 2.9 -8.3 117 117 A D S > S- 0 0 70 1,-0.0 4,-1.8 -115,-0.0 3,-0.1 -0.928 81.0 -82.9-159.6-179.6 32.9 1.5 -4.8 118 118 A Y H > S+ 0 0 45 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.757 119.4 60.1 -70.8 -25.8 32.0 1.8 -1.1 119 119 A R H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 110.0 42.6 -65.8 -43.7 34.5 4.7 -0.5 120 120 A E H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.848 112.9 53.9 -69.1 -34.9 32.6 6.8 -3.1 121 121 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.920 108.3 49.7 -62.6 -44.2 29.3 5.6 -1.7 122 122 A Y H X S+ 0 0 92 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 109.9 50.0 -61.5 -45.8 30.4 6.7 1.8 123 123 A N H X S+ 0 0 75 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.806 110.2 50.8 -63.2 -32.4 31.4 10.2 0.5 124 124 A L H X S+ 0 0 20 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.901 107.6 53.8 -70.4 -41.8 28.0 10.4 -1.2 125 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.890 109.4 48.0 -54.5 -43.4 26.4 9.5 2.1 126 126 A L H X S+ 0 0 56 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.856 110.0 52.4 -66.7 -38.7 28.3 12.4 3.7 127 127 A E H X S+ 0 0 104 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.902 110.0 48.3 -61.8 -43.9 27.2 14.7 0.9 128 128 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 110.7 50.5 -65.4 -42.8 23.5 13.8 1.4 129 129 A K H X S+ 0 0 24 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.917 112.2 47.2 -61.1 -45.0 23.8 14.3 5.2 130 130 A N H X S+ 0 0 91 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.869 110.9 52.4 -65.8 -36.3 25.3 17.7 4.8 131 131 A K H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.908 110.2 46.7 -67.0 -43.5 22.7 18.7 2.2 132 132 A I H X>S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 6,-1.0 0.852 114.2 48.6 -68.7 -34.4 19.8 17.8 4.5 133 133 A L H X5S+ 0 0 76 -4,-1.9 4,-1.0 4,-0.2 -2,-0.2 0.883 111.7 50.4 -70.5 -39.5 21.4 19.6 7.4 134 134 A E H <5S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.944 122.2 29.7 -59.6 -51.9 22.0 22.7 5.2 135 135 A K H <5S+ 0 0 123 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.865 139.7 13.6 -82.3 -41.6 18.5 23.0 3.9 136 136 A E H <5S- 0 0 32 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.458 85.7-128.7-120.3 -6.6 16.3 21.5 6.7 137 137 A K << + 0 0 125 -4,-1.0 2,-0.4 -5,-0.5 -4,-0.2 0.824 63.2 137.5 53.9 37.0 18.6 21.3 9.7 138 138 A I - 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