==== 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 2ASJ . 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) . 37121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 71.7 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 . 116 17.0 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 . 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 . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 2 0 0 2 4 2 3 2 1 0 0 2 0 0 3 3 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 4 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 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 56 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 -40.0 5.5 14.6 -17.5 2 2 A I - 0 0 24 113,-0.1 109,-1.6 2,-0.0 110,-0.7 -1.000 360.0-168.6-132.8 132.9 3.6 11.3 -17.1 3 3 A V E -AB 110 145A 1 142,-2.8 142,-1.5 -2,-0.4 2,-0.5 -0.931 7.2-158.0-117.5 140.2 3.9 8.8 -14.2 4 4 A L E -AB 109 144A 1 105,-4.7 105,-2.6 -2,-0.4 2,-0.4 -0.943 12.8-168.6-121.7 111.8 2.5 5.2 -14.0 5 5 A F E -AB 108 143A 0 138,-2.9 138,-2.6 -2,-0.5 2,-0.4 -0.831 3.2-162.2-105.0 134.8 2.0 3.8 -10.5 6 6 A V E -AB 107 142A 1 101,-2.6 101,-1.7 -2,-0.4 2,-0.5 -0.964 5.9-175.3-120.0 123.8 1.3 0.1 -9.8 7 7 A D E -AB 106 141A 15 134,-3.0 134,-2.5 -2,-0.4 2,-0.4 -0.966 24.5-130.6-122.9 120.7 -0.2 -1.2 -6.5 8 8 A F E > - B 0 140A 2 97,-2.4 3,-1.1 -2,-0.5 132,-0.2 -0.506 33.8-115.6 -72.1 120.7 -0.6 -5.0 -5.7 9 9 A D T 3 S- 0 0 0 130,-1.4 5,-0.2 -2,-0.4 130,-0.1 -0.377 81.7 -28.7 -64.8 124.9 -4.2 -5.5 -4.4 10 10 A Y T 3> S- 0 0 35 -2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.845 87.5-168.3 35.7 54.9 -4.3 -6.8 -0.8 11 11 A F H X> + 0 0 3 -3,-1.1 4,-2.2 1,-0.2 3,-0.7 0.787 69.5 43.6 -50.7 -58.4 -1.0 -8.3 -1.6 12 12 A Y H 3> S+ 0 0 27 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.945 117.4 47.2 -54.8 -51.4 -0.2 -10.7 1.2 13 13 A A H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.745 111.6 54.4 -62.3 -21.0 -3.7 -12.1 1.3 14 14 A Q H < - 0 0 63 -4,-1.9 3,-1.2 -5,-0.3 -1,-0.3 -0.821 64.8-175.5-134.9 85.7 -3.9 -22.2 -1.9 21 21 A P G > S+ 0 0 108 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.532 72.2 86.4 -70.8 -0.6 -7.1 -22.0 -4.0 22 22 A S G 3 S+ 0 0 96 1,-0.2 -5,-0.1 0, 0.0 0, 0.0 0.441 90.2 53.0 -69.0 2.1 -9.1 -23.5 -1.1 23 23 A L G X S+ 0 0 18 -3,-1.2 3,-1.0 -6,-0.3 -1,-0.2 0.513 75.0 121.6-118.9 -14.2 -9.4 -19.9 0.2 24 24 A K T < S+ 0 0 93 -3,-0.8 -10,-0.0 -7,-0.2 -6,-0.0 -0.161 74.4 17.8 -75.7 155.8 -10.8 -17.6 -2.5 25 25 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.555 109.9 100.3 64.3 9.1 -14.0 -15.5 -2.3 26 26 A K S < S- 0 0 106 -3,-1.0 2,-0.4 46,-0.0 23,-0.3 -0.782 89.9 -87.2-116.1 158.3 -13.7 -16.0 1.5 27 27 A P - 0 0 28 0, 0.0 45,-2.0 0, 0.0 2,-0.4 -0.611 47.4-174.3 -69.7 124.3 -12.3 -13.8 4.3 28 28 A V E -e 72 0B 0 -2,-0.4 19,-1.8 43,-0.2 2,-0.6 -0.986 6.4-165.4-128.4 120.9 -8.5 -14.3 4.6 29 29 A V E -eF 73 46B 0 43,-3.1 45,-2.9 -2,-0.4 2,-0.5 -0.923 7.6-155.7-118.0 111.8 -6.5 -12.7 7.3 30 30 A V E -eF 74 45B 0 15,-2.3 14,-3.0 -2,-0.6 15,-1.6 -0.770 27.3-172.0 -85.7 123.7 -2.7 -12.5 7.2 31 31 A C E -eF 75 43B 1 43,-2.7 45,-1.9 -2,-0.5 2,-0.6 -0.798 32.5-142.6-120.6 152.8 -1.3 -12.2 10.8 32 32 A V E - F 0 42B 70 10,-2.9 10,-1.8 -2,-0.3 2,-0.8 -0.974 22.2-154.9-106.0 112.2 1.8 -11.5 12.8 33 33 A F E - F 0 41B 87 -2,-0.6 8,-0.3 8,-0.2 7,-0.1 -0.821 5.2-151.7 -88.8 108.9 1.7 -13.7 15.9 34 34 A S - 0 0 45 -2,-0.8 216,-0.5 6,-0.6 -1,-0.2 0.889 31.0-121.9 -49.4 -51.5 3.9 -11.9 18.5 35 35 A G S S+ 0 0 53 5,-0.3 -1,-0.1 2,-0.3 217,-0.1 0.100 82.1 95.1 131.3 -21.1 4.8 -15.2 20.3 36 36 A R S S- 0 0 53 215,-0.1 216,-0.1 3,-0.0 3,-0.1 0.951 89.2 -12.8 -60.0 -97.6 3.6 -14.5 23.8 37 37 A F S > S- 0 0 133 1,-0.1 3,-0.7 4,-0.0 2,-0.5 0.043 93.9 -56.2 -96.1-158.9 0.1 -15.9 24.5 38 38 A E T 3 S+ 0 0 162 1,-0.2 -1,-0.1 -5,-0.0 3,-0.1 -0.771 126.9 10.2 -88.9 126.9 -2.7 -17.2 22.3 39 39 A D T 3 S+ 0 0 33 -2,-0.5 22,-0.5 1,-0.3 23,-0.5 0.407 89.8 159.5 80.2 -0.0 -3.8 -14.7 19.7 40 40 A S < + 0 0 4 -3,-0.7 -6,-0.6 21,-0.1 -1,-0.3 -0.383 41.6 39.7 -53.9 120.4 -0.7 -12.6 20.6 41 41 A G E S-F 33 0B 23 -8,-0.3 20,-1.4 -7,-0.2 21,-0.3 -0.824 77.6 -81.0 135.4-171.2 -0.0 -10.3 17.6 42 42 A A E -FG 32 60B 37 -10,-1.8 -10,-2.9 18,-0.3 2,-0.3 -0.950 35.8 -98.4-135.8 153.8 -1.6 -8.1 14.9 43 43 A V E -F 31 0B 5 16,-2.9 15,-2.9 -2,-0.3 -12,-0.2 -0.543 30.1-177.5 -66.2 131.0 -3.3 -8.2 11.5 44 44 A A E - 0 0 27 -14,-3.0 2,-0.3 1,-0.4 -13,-0.2 0.708 66.9 -12.1-102.9 -32.1 -0.7 -7.4 8.7 45 45 A T E -F 30 0B 22 -15,-1.6 -15,-2.3 11,-0.1 -1,-0.4 -0.962 58.3-166.5-162.7 158.8 -3.1 -7.6 5.7 46 46 A A E -F 29 0B 1 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.977 24.6-117.4-153.6 135.7 -6.7 -8.7 4.9 47 47 A N >> - 0 0 0 -19,-1.8 4,-1.1 -2,-0.3 3,-0.8 -0.111 43.4 -97.3 -66.2 172.5 -8.7 -9.3 1.7 48 48 A Y H 3> S+ 0 0 52 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.676 123.2 63.3 -74.5 -14.3 -11.7 -7.2 1.0 49 49 A E H 34 S+ 0 0 81 -23,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.858 109.7 41.1 -70.1 -35.0 -14.1 -9.9 2.3 50 50 A A H <4>S+ 0 0 0 -3,-0.8 5,-1.5 -24,-0.2 -2,-0.2 0.711 113.7 54.9 -81.5 -21.5 -12.3 -9.4 5.7 51 51 A R H ><5S+ 0 0 81 -4,-1.1 3,-2.2 3,-0.2 -2,-0.2 0.806 88.5 70.4 -87.1 -36.2 -12.2 -5.6 5.4 52 52 A K T 3<5S+ 0 0 189 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.866 105.6 45.0 -45.1 -38.8 -15.8 -4.7 4.8 53 53 A F T 3 5S- 0 0 136 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.054 127.6 -93.1-102.1 21.7 -16.4 -5.7 8.5 54 54 A G T < 5S+ 0 0 38 -3,-2.2 2,-1.1 1,-0.2 -3,-0.2 0.417 81.4 133.3 91.3 -2.0 -13.4 -3.9 10.0 55 55 A V < + 0 0 0 -5,-1.5 2,-0.3 -6,-0.1 -1,-0.2 -0.742 37.5 139.8 -79.4 98.9 -10.8 -6.6 10.0 56 56 A K > - 0 0 112 -2,-1.1 3,-1.1 -3,-0.1 -13,-0.2 -0.883 56.7 -60.7-140.0 169.8 -7.9 -4.6 8.5 57 57 A A T 3 S+ 0 0 57 -2,-0.3 -13,-0.2 1,-0.2 -26,-0.1 -0.236 113.9 26.4 -58.3 129.0 -4.1 -4.1 8.9 58 58 A G T 3 S+ 0 0 60 -15,-2.9 -1,-0.2 1,-0.4 -14,-0.1 -0.271 89.4 109.2 117.0 -46.2 -2.9 -2.8 12.3 59 59 A I S < S- 0 0 27 -3,-1.1 -16,-2.9 -17,-0.1 -1,-0.4 -0.116 75.2 -98.3 -60.9 156.4 -5.7 -4.1 14.6 60 60 A P B > -G 42 0B 48 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.387 22.9-121.0 -78.0 162.8 -5.0 -7.0 17.0 61 61 A I H > S+ 0 0 0 -20,-1.4 4,-3.1 -22,-0.5 5,-0.2 0.878 113.1 57.2 -67.9 -38.9 -5.9 -10.6 16.3 62 62 A V H 4 S+ 0 0 70 -23,-0.5 4,-0.4 -21,-0.3 -1,-0.2 0.671 110.8 45.1 -69.0 -16.5 -8.2 -10.9 19.4 63 63 A E H > S+ 0 0 95 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.795 112.9 49.5 -90.8 -34.8 -10.1 -7.9 18.0 64 64 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.905 112.4 48.2 -63.8 -43.6 -10.3 -9.4 14.4 65 65 A K H < S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.2 0.739 112.2 48.0 -74.6 -23.6 -11.5 -12.7 15.7 66 66 A K H 4 S+ 0 0 145 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.708 114.5 46.4 -84.2 -22.7 -14.2 -11.1 17.9 67 67 A I H < S+ 0 0 95 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.2 0.645 138.1 6.8 -88.2 -17.6 -15.3 -9.0 14.9 68 68 A L < + 0 0 23 -4,-1.2 3,-0.4 -5,-0.1 -1,-0.3 -0.606 59.4 169.7-163.8 93.8 -15.1 -12.2 12.8 69 69 A P S S+ 0 0 86 0, 0.0 2,-2.7 0, 0.0 -2,-0.1 0.799 75.6 68.0 -60.1-105.3 -14.5 -15.7 14.2 70 70 A N S S+ 0 0 137 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.070 80.3 98.1 58.6 -60.9 -15.4 -17.4 11.0 71 71 A A S S- 0 0 17 -2,-2.7 2,-0.7 -3,-0.4 -43,-0.2 0.242 79.0 -95.3 -72.8-173.0 -12.5 -16.3 8.7 72 72 A V E -e 28 0B 41 -45,-2.0 -43,-3.1 -49,-0.1 2,-0.4 -0.878 35.4-164.1-111.9 99.4 -9.2 -17.8 7.6 73 73 A Y E -e 29 0B 41 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.697 12.6-174.3 -87.8 131.1 -6.3 -16.7 9.8 74 74 A L E -e 30 0B 33 -45,-2.9 -43,-2.7 -2,-0.4 2,-0.1 -0.982 27.7-115.0-135.2 131.9 -2.8 -17.3 8.3 75 75 A P E -e 31 0B 83 0, 0.0 -43,-0.2 0, 0.0 -45,-0.0 -0.425 44.3-107.8 -61.4 132.9 0.8 -16.9 9.5 76 76 A M - 0 0 63 -45,-1.9 -43,-0.1 -2,-0.1 -44,-0.0 -0.217 28.2-166.2 -57.8 152.6 2.6 -14.3 7.5 77 77 A R >> + 0 0 89 1,-0.1 4,-1.8 -3,-0.1 3,-1.0 -0.385 12.4 172.4-139.8 56.7 5.3 -15.6 5.0 78 78 A K H 3> S+ 0 0 96 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.709 79.4 56.7 -50.0 -27.2 7.4 -12.5 3.9 79 79 A E H 3> S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.970 109.2 44.9 -65.7 -52.3 9.9 -14.7 2.0 80 80 A V H <> S+ 0 0 27 -3,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.909 116.8 46.4 -59.3 -42.7 7.1 -16.2 -0.1 81 81 A Y H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.939 111.1 51.1 -64.9 -48.9 5.6 -12.7 -0.7 82 82 A Q H X S+ 0 0 78 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.835 105.1 58.2 -57.8 -37.6 9.0 -11.1 -1.5 83 83 A Q H X S+ 0 0 104 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.986 109.9 41.9 -57.1 -57.6 9.7 -13.9 -4.0 84 84 A V H X S+ 0 0 11 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.905 114.0 54.5 -53.9 -46.9 6.6 -13.0 -6.0 85 85 A S H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.890 103.9 52.7 -56.2 -48.2 7.2 -9.3 -5.6 86 86 A S H X S+ 0 0 52 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.873 109.8 50.5 -57.1 -39.5 10.8 -9.4 -7.0 87 87 A R H X S+ 0 0 126 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.905 109.5 49.6 -66.4 -41.3 9.5 -11.1 -10.1 88 88 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.862 107.9 52.8 -68.0 -37.3 6.8 -8.5 -10.7 89 89 A M H X S+ 0 0 6 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.826 105.6 57.5 -66.2 -31.9 9.2 -5.6 -10.4 90 90 A N H < S+ 0 0 95 -4,-1.3 4,-0.4 -5,-0.2 -2,-0.2 0.861 106.0 47.8 -63.7 -40.9 11.3 -7.4 -13.0 91 91 A L H >< S+ 0 0 22 -4,-1.4 3,-2.8 1,-0.2 4,-0.4 0.992 110.8 51.4 -59.3 -58.3 8.4 -7.3 -15.5 92 92 A L H >X S+ 0 0 1 -4,-2.2 3,-1.1 1,-0.3 4,-0.8 0.739 98.9 66.9 -48.7 -32.8 7.7 -3.6 -14.7 93 93 A R T 3< S+ 0 0 101 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.680 94.2 58.6 -61.4 -22.3 11.4 -2.9 -15.4 94 94 A E T <4 S+ 0 0 132 -3,-2.8 -1,-0.2 -4,-0.4 -2,-0.2 0.613 100.3 54.6 -88.0 -15.7 10.9 -3.8 -19.1 95 95 A Y T <4 S- 0 0 38 -3,-1.1 2,-0.2 -4,-0.4 -2,-0.2 0.679 132.3 -9.4 -89.3 -21.2 8.3 -1.2 -19.6 96 96 A S < - 0 0 6 -4,-0.8 -1,-0.4 1,-0.1 15,-0.1 -0.784 51.9-146.2-173.2 136.2 10.6 1.5 -18.3 97 97 A E S S+ 0 0 141 -2,-0.2 2,-1.4 -3,-0.2 -1,-0.1 0.766 85.9 84.9 -76.4 -28.8 14.0 1.5 -16.6 98 98 A K + 0 0 107 12,-0.3 12,-1.7 2,-0.0 2,-0.4 -0.653 65.4 153.3 -75.0 93.7 13.2 4.6 -14.6 99 99 A I E -C 109 0A 15 -2,-1.4 2,-0.7 10,-0.2 10,-0.2 -0.991 36.9-157.6-132.6 127.7 11.4 2.8 -11.7 100 100 A E E -C 108 0A 2 8,-2.7 8,-1.8 -2,-0.4 2,-0.8 -0.897 9.2-159.3-106.4 102.1 10.9 3.7 -8.1 101 101 A I E +C 107 0A 57 -2,-0.7 6,-0.2 6,-0.2 3,-0.1 -0.759 14.8 176.4 -77.7 111.5 10.2 0.6 -5.9 102 102 A A E - 0 0 23 4,-1.4 2,-0.3 -2,-0.8 5,-0.2 0.505 59.5 -25.8 -97.0 -7.1 8.6 2.2 -2.9 103 103 A S E > S-C 106 0A 46 3,-1.1 3,-2.1 1,-0.0 -1,-0.3 -0.892 82.0 -67.5 166.5 161.0 7.7 -1.1 -1.1 104 104 A I T 3 S+ 0 0 28 1,-0.3 3,-0.0 -2,-0.3 -1,-0.0 0.647 132.7 27.4 -42.7 -23.1 7.0 -4.8 -1.5 105 105 A D T 3 S+ 0 0 35 1,-0.1 -97,-2.4 -98,-0.0 2,-0.4 0.254 111.2 69.4-130.7 17.5 3.7 -4.0 -3.2 106 106 A E E < +AC 7 103A 30 -3,-2.1 -4,-1.4 -99,-0.2 -3,-1.1 -0.999 46.0 169.1-139.4 139.9 4.2 -0.5 -4.9 107 107 A A E -AC 6 101A 1 -101,-1.7 -101,-2.6 -2,-0.4 2,-0.4 -0.992 19.9-145.4-147.8 151.1 6.2 0.9 -7.8 108 108 A Y E -AC 5 100A 14 -8,-1.8 -8,-2.7 -2,-0.3 2,-0.5 -0.972 12.4-168.2-119.2 128.2 6.4 4.1 -9.9 109 109 A L E -AC 4 99A 2 -105,-2.6 -105,-4.7 -2,-0.4 2,-0.7 -0.966 13.2-148.3-117.0 126.7 7.2 4.2 -13.6 110 110 A D E +A 3 0A 30 -12,-1.7 -12,-0.3 -2,-0.5 3,-0.3 -0.867 21.1 173.0 -92.4 114.6 8.0 7.4 -15.4 111 111 A I >> + 0 0 0 -109,-1.6 4,-2.1 -2,-0.7 3,-1.3 0.140 40.5 115.5-113.3 22.3 6.7 6.9 -19.0 112 112 A S T 34 S+ 0 0 38 -110,-0.7 -1,-0.2 1,-0.3 -109,-0.1 0.532 83.9 49.1 -66.0 -6.1 7.3 10.4 -20.4 113 113 A D T 34 S+ 0 0 130 -3,-0.3 -1,-0.3 -111,-0.1 -2,-0.1 0.530 114.6 42.0-103.7 -14.9 9.8 8.8 -22.8 114 114 A K T <4 S+ 0 0 119 -3,-1.3 2,-0.3 1,-0.1 -2,-0.2 0.707 112.9 40.9-109.6 -29.9 7.5 5.9 -23.9 115 115 A V < - 0 0 17 -4,-2.1 3,-0.1 1,-0.1 -113,-0.1 -0.787 59.3-146.1-118.8 166.7 4.1 7.5 -24.5 116 116 A R S S- 0 0 214 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.769 78.1 -14.0 -99.9 -36.3 2.8 10.8 -26.0 117 117 A D S > S- 0 0 73 -115,-0.0 4,-0.7 1,-0.0 -1,-0.1 -0.716 84.5 -75.3-145.6-162.0 -0.2 11.5 -23.9 118 118 A Y H > S+ 0 0 41 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 120.8 63.0 -74.9 -34.8 -2.6 9.8 -21.3 119 119 A R H > S+ 0 0 166 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.878 106.6 44.1 -55.0 -44.1 -4.4 7.8 -24.0 120 120 A E H > S+ 0 0 44 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.742 112.2 56.2 -71.1 -25.6 -1.2 5.9 -24.9 121 121 A A H X S+ 0 0 0 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.886 104.2 50.5 -70.3 -43.7 -0.6 5.6 -21.1 122 122 A Y H X S+ 0 0 100 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.878 109.2 52.2 -62.9 -41.7 -4.0 3.9 -20.4 123 123 A N H X S+ 0 0 105 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.905 112.3 45.2 -59.4 -45.2 -3.3 1.3 -23.2 124 124 A L H X S+ 0 0 32 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.860 110.0 55.3 -67.7 -40.7 0.1 0.5 -21.7 125 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.882 108.9 46.4 -59.7 -45.0 -1.4 0.3 -18.2 126 126 A L H X S+ 0 0 70 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.859 111.9 53.8 -61.9 -36.2 -3.9 -2.3 -19.3 127 127 A E H X S+ 0 0 104 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.948 110.1 44.6 -65.7 -51.2 -1.1 -4.1 -21.0 128 128 A I H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.917 113.0 52.1 -55.8 -49.6 1.1 -4.2 -17.9 129 129 A K H X S+ 0 0 23 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 111.8 48.0 -50.3 -48.5 -2.0 -5.3 -15.8 130 130 A N H X S+ 0 0 91 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.856 110.5 48.6 -66.0 -41.8 -2.7 -8.1 -18.4 131 131 A K H X S+ 0 0 79 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.941 112.2 49.7 -63.6 -47.3 0.9 -9.4 -18.5 132 132 A I H X>S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-1.2 0.913 110.9 49.2 -56.7 -45.2 1.1 -9.5 -14.6 133 133 A L H <5S+ 0 0 65 -4,-2.1 -1,-0.2 4,-0.2 -2,-0.2 0.823 115.3 45.3 -65.4 -31.8 -2.2 -11.4 -14.4 134 134 A E H <5S+ 0 0 128 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.895 120.6 35.6 -78.3 -43.2 -1.0 -13.9 -17.0 135 135 A K H <5S+ 0 0 146 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.859 139.2 13.0 -79.3 -40.3 2.5 -14.6 -15.6 136 136 A E T <5S- 0 0 35 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.698 90.9-126.4-108.8 -28.4 1.8 -14.4 -11.8 137 137 A K < + 0 0 141 -5,-1.2 2,-0.5 1,-0.3 -4,-0.2 0.763 62.7 137.5 78.9 33.2 -2.1 -14.5 -11.5 138 138 A I - 0 0 3 -6,-0.7 2,-0.4 -9,-0.1 -1,-0.3 -0.927 49.6-140.2-116.6 127.8 -2.2 -11.3 -9.5 139 139 A T - 0 0 31 -2,-0.5 -130,-1.4 -130,-0.1 2,-0.3 -0.733 28.6-178.1 -83.1 137.7 -4.7 -8.4 -9.9 140 140 A V E -B 8 0A 2 -2,-0.4 2,-0.4 -132,-0.2 -132,-0.2 -0.907 23.0-126.8-133.9 156.6 -3.1 -5.0 -9.6 141 141 A T E -B 7 0A 0 -134,-2.5 -134,-3.0 -2,-0.3 2,-0.4 -0.933 19.5-159.0-108.5 136.2 -4.3 -1.4 -9.7 142 142 A V E -Bd 6 163A 0 20,-2.0 22,-1.8 -2,-0.4 2,-0.4 -0.928 5.3-170.1-114.7 130.3 -2.7 1.3 -11.9 143 143 A G E -Bd 5 164A 0 -138,-2.6 -138,-2.9 -2,-0.4 2,-0.4 -0.966 6.0-166.0-115.5 139.5 -2.9 5.0 -11.4 144 144 A I E +Bd 4 165A 0 20,-2.4 22,-2.7 -2,-0.4 2,-0.2 -0.983 26.6 115.0-127.8 136.8 -1.7 7.5 -14.1 145 145 A S E -B 3 0A 0 -142,-1.5 -142,-2.8 -2,-0.4 22,-0.1 -0.901 67.6 -75.8-170.5-156.9 -1.0 11.2 -13.8 146 146 A K S S+ 0 0 40 20,-0.3 2,-0.3 -2,-0.2 -142,-0.1 0.721 105.9 24.5-101.2 -26.0 1.6 14.0 -13.9 147 147 A N S > S- 0 0 1 -144,-0.1 4,-1.2 1,-0.1 -144,-0.2 -0.837 87.2-103.2-129.1 172.4 3.4 13.6 -10.6 148 148 A K H > S+ 0 0 13 87,-0.3 4,-2.4 -2,-0.3 3,-0.4 0.909 114.9 54.6 -64.0 -45.2 3.9 10.6 -8.3 149 149 A V H > S+ 0 0 7 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.881 109.5 46.7 -60.3 -42.6 1.3 11.6 -5.6 150 150 A F H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.762 109.5 54.6 -75.7 -21.2 -1.5 12.0 -8.1 151 151 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 -3,-0.4 -2,-0.2 0.935 111.9 44.1 -71.5 -44.4 -0.6 8.7 -9.8 152 152 A K H X S+ 0 0 40 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.917 112.0 52.5 -63.2 -47.3 -0.9 6.9 -6.4 153 153 A I H X S+ 0 0 3 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.882 106.6 53.8 -52.0 -45.0 -4.1 8.8 -5.5 154 154 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.882 109.8 47.4 -60.3 -40.4 -5.6 7.6 -8.9 155 155 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.877 108.5 55.4 -65.4 -41.0 -4.8 4.0 -7.9 156 156 A D H < S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.807 108.2 49.9 -60.7 -32.7 -6.3 4.7 -4.5 157 157 A M H < S+ 0 0 93 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 119.7 34.1 -72.4 -39.1 -9.5 5.8 -6.3 158 158 A A H < S+ 0 0 26 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.548 84.5 147.6 -89.3 -7.5 -9.7 2.6 -8.5 159 159 A K >< + 0 0 65 -4,-1.3 2,-0.7 -5,-0.1 3,-0.7 0.341 44.4 66.4 -16.8 -77.4 -8.3 0.1 -6.0 160 160 A P T 3 S- 0 0 80 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 -0.316 133.4 -38.0 -61.3 105.6 -9.7 -3.4 -6.3 161 161 A N T 3 S+ 0 0 91 -2,-0.7 2,-0.3 1,-0.2 -20,-0.2 0.937 106.7 137.4 48.5 70.2 -8.4 -4.5 -9.8 162 162 A G < - 0 0 13 -3,-0.7 -20,-2.0 -22,-0.1 2,-0.3 -0.912 46.8-147.2-142.9 166.6 -8.7 -1.1 -11.5 163 163 A I E +d 142 0A 27 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.993 21.0 175.4-139.7 131.9 -7.2 1.5 -13.8 164 164 A K E -d 143 0A 70 -22,-1.8 -20,-2.4 -2,-0.3 2,-0.5 -0.970 19.0-155.8-148.1 130.2 -7.6 5.4 -13.6 165 165 A V E -d 144 0A 29 -2,-0.3 2,-0.7 -22,-0.2 -20,-0.2 -0.866 5.7-163.6 -99.7 123.4 -6.2 8.5 -15.4 166 166 A I - 0 0 0 -22,-2.7 -20,-0.3 -2,-0.5 -12,-0.1 -0.903 19.5-170.8-107.3 102.2 -6.2 11.8 -13.5 167 167 A D > - 0 0 65 -2,-0.7 4,-0.9 -22,-0.1 -21,-0.2 0.251 38.1 -79.6 -73.6-158.9 -5.7 14.4 -16.2 168 168 A D H > S+ 0 0 86 2,-0.2 4,-1.0 1,-0.2 -1,-0.0 0.876 123.2 43.3 -83.6 -38.7 -5.0 18.1 -15.7 169 169 A E H > S+ 0 0 153 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.802 112.5 54.7 -79.1 -28.0 -8.4 19.7 -14.9 170 170 A E H > S+ 0 0 21 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.796 101.5 59.2 -69.7 -33.0 -9.3 16.8 -12.6 171 171 A V H X S+ 0 0 0 -4,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.891 105.2 50.4 -61.3 -39.9 -6.1 17.4 -10.6 172 172 A K H X S+ 0 0 88 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.863 109.2 47.8 -69.4 -41.4 -7.4 21.0 -9.9 173 173 A R H X S+ 0 0 117 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.730 109.4 57.2 -68.7 -24.8 -10.8 19.9 -8.6 174 174 A L H X S+ 0 0 11 -4,-1.2 4,-2.8 2,-0.2 28,-0.3 0.851 98.6 58.0 -73.0 -39.2 -9.0 17.3 -6.4 175 175 A I H < S+ 0 0 12 -4,-1.4 28,-1.6 1,-0.2 -2,-0.2 0.872 115.5 37.1 -57.2 -38.8 -6.9 20.0 -4.7 176 176 A R H < S+ 0 0 139 -4,-1.0 -2,-0.2 26,-0.2 -1,-0.2 0.824 127.8 33.6 -83.7 -32.4 -10.1 21.7 -3.6 177 177 A E H < S+ 0 0 111 -4,-1.7 2,-0.5 -5,-0.1 -2,-0.2 0.515 90.8 98.5-108.9 -6.3 -12.2 18.6 -2.9 178 178 A L < - 0 0 16 -4,-2.8 24,-2.0 -5,-0.1 25,-0.2 -0.726 69.9-125.0 -88.2 128.8 -9.8 15.9 -1.6 179 179 A D B > -H 201 0C 65 -2,-0.5 3,-0.5 22,-0.2 22,-0.3 -0.209 16.9-123.0 -59.6 153.9 -9.6 15.3 2.2 180 180 A I G > S+ 0 0 3 20,-2.1 3,-1.4 1,-0.2 -1,-0.1 0.788 110.2 67.2 -67.5 -25.8 -6.1 15.5 3.8 181 181 A A G 3 S+ 0 0 41 19,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.801 95.1 54.4 -62.6 -33.3 -6.8 12.0 5.0 182 182 A D G < S+ 0 0 86 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.1 0.134 82.0 113.6 -93.9 19.2 -6.6 10.6 1.5 183 183 A V S X S- 0 0 3 -3,-1.4 3,-2.3 3,-0.3 42,-0.0 -0.831 75.4-114.1 -95.1 115.1 -3.2 12.1 0.7 184 184 A P T 3 S+ 0 0 12 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.209 103.7 23.3 -44.3 129.0 -0.4 9.5 0.2 185 185 A G T 3 S+ 0 0 65 1,-0.1 2,-0.5 -36,-0.0 -3,-0.1 0.396 100.2 101.5 93.2 -0.5 2.1 9.9 3.0 186 186 A I < - 0 0 11 -3,-2.3 -3,-0.3 -5,-0.1 -1,-0.1 -0.941 55.3-167.7-120.1 105.6 -0.4 11.5 5.4 187 187 A G > - 0 0 43 -2,-0.5 4,-2.4 -3,-0.1 5,-0.1 -0.081 39.0 -88.9 -85.3-174.4 -1.7 9.1 8.1 188 188 A N H > S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.664 120.7 61.6 -73.1 -18.0 -4.6 9.3 10.6 189 189 A I H > S+ 0 0 140 2,-0.2 4,-1.1 3,-0.1 -1,-0.2 0.949 113.0 35.1 -71.1 -49.2 -2.4 10.9 13.3 190 190 A T H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.916 115.2 56.3 -68.8 -44.9 -1.7 14.0 11.1 191 191 A A H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.878 111.1 42.4 -56.4 -43.4 -5.1 14.2 9.4 192 192 A E H X S+ 0 0 82 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.738 108.3 59.1 -82.4 -26.2 -7.0 14.4 12.7 193 193 A K H < S+ 0 0 64 -4,-1.1 4,-0.2 -3,-0.2 -1,-0.2 0.764 114.8 37.7 -64.6 -33.0 -4.6 16.8 14.3 194 194 A L H ><>S+ 0 0 0 -4,-1.5 5,-2.0 2,-0.1 3,-1.2 0.785 107.6 66.3 -88.4 -34.8 -5.4 19.2 11.4 195 195 A K H ><5S+ 0 0 127 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.869 93.1 60.9 -50.4 -45.1 -9.1 18.1 11.4 196 196 A K T 3<5S+ 0 0 146 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.762 105.7 47.5 -52.3 -34.2 -9.5 19.8 14.9 197 197 A L T < 5S- 0 0 111 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.310 123.9 -99.4 -96.9 5.0 -8.5 23.2 13.4 198 198 A G T < 5S+ 0 0 40 -3,-1.7 2,-1.5 -4,-0.2 3,-0.3 0.480 78.3 138.8 89.4 3.9 -10.9 23.0 10.4 199 199 A I < + 0 0 11 -5,-2.0 -1,-0.2 1,-0.2 -19,-0.1 -0.655 18.0 140.1 -82.0 91.0 -8.1 21.9 8.0 200 200 A N + 0 0 80 -2,-1.5 -20,-2.1 -3,-0.1 -19,-0.4 0.841 53.4 42.1-104.6 -43.4 -10.2 19.3 6.1 201 201 A K B > S-H 179 0C 74 -3,-0.3 3,-1.1 -22,-0.3 4,-0.4 -0.704 83.6-110.5-110.1 160.9 -9.3 19.6 2.4 202 202 A L G > S+ 0 0 2 -24,-2.0 3,-1.3 -28,-0.3 4,-0.2 0.846 114.9 59.9 -60.8 -36.9 -5.9 20.1 0.6 203 203 A V G > S+ 0 0 53 -28,-1.6 3,-2.0 1,-0.2 -1,-0.3 0.824 90.9 70.5 -60.6 -30.7 -6.7 23.6 -0.5 204 204 A D G X S+ 0 0 52 -3,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.714 82.1 72.2 -61.1 -23.4 -7.1 24.7 3.2 205 205 A T G X S+ 0 0 1 -3,-1.3 3,-0.5 -4,-0.4 -1,-0.3 0.676 92.6 57.3 -66.6 -17.9 -3.3 24.4 3.7 206 206 A L G < S+ 0 0 76 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.352 97.3 62.7 -91.8 3.3 -3.0 27.6 1.6 207 207 A S G < S+ 0 0 109 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 0.270 96.9 70.2-106.5 5.8 -5.2 29.5 4.0 208 208 A I S < S- 0 0 55 -3,-0.5 5,-0.0 -4,-0.1 2,-0.0 -0.939 87.5-100.1-131.7 147.2 -2.8 29.1 7.0 209 209 A E > - 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